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/test-c326dcf5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-c326dcf5/inputs/seq.fa: 1
curr_seq: _GGACUCGGAAACGUGAAGGAGAGGCGCAAGGUUAACCGCCUCAGUCCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGACUCGGAAACGUGAAGGAGAGGCGCAAGGUUAACCGCCUCAGUCCA
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 48 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: 245
n_atoms_counter: 245
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 48.000000 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/test-c326dcf5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-c326dcf5/inputs/seq.fa: 1
curr_seq: _GGACUCGGAAACGUGAAGGAGAGGCGCAAGGUUAACCGCCUCAGUCCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGACUCGGAAACGUGAAGGAGAGGCGCAAGGUUAACCGCCUCAGUCCA
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 48 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: 245
n_atoms_counter: 245
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 48.000000 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/test-c326dcf5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-c326dcf5/inputs/seq.fa: 1
curr_seq: _GGACUCGGAAACGUGAAGGAGAGGCGCAAGGUUAACCGCCUCAGUCCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGACUCGGAAACGUGAAGGAGAGGCGCAAGGUUAACCGCCUCAGUCCA
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 48 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: 245
n_atoms_counter: 245
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 48.000000 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/test-c326dcf5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-c326dcf5/inputs/seq.fa: 1
curr_seq: _GGACUCGGAAACGUGAAGGAGAGGCGCAAGGUUAACCGCCUCAGUCCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGACUCGGAAACGUGAAGGAGAGGCGCAAGGUUAACCGCCUCAGUCCA
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 48 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: 245
n_atoms_counter: 245
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 48.000000 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/test-c326dcf5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-c326dcf5/inputs/seq.fa: 1
curr_seq: _GGACUCGGAAACGUGAAGGAGAGGCGCAAGGUUAACCGCCUCAGUCCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGACUCGGAAACGUGAAGGAGAGGCGCAAGGUUAACCGCCUCAGUCCA
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 48 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: 245
n_atoms_counter: 245
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 48.000000 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/test-c326dcf5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-c326dcf5/inputs/seq.fa: 1
curr_seq: _GGACUCGGAAACGUGAAGGAGAGGCGCAAGGUUAACCGCCUCAGUCCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGACUCGGAAACGUGAAGGAGAGGCGCAAGGUUAACCGCCUCAGUCCA
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 48 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: 245
n_atoms_counter: 245
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 48.000000 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/test-c326dcf5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-c326dcf5/inputs/seq.fa: 1
curr_seq: _GGACUCGGAAACGUGAAGGAGAGGCGCAAGGUUAACCGCCUCAGUCCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGACUCGGAAACGUGAAGGAGAGGCGCAAGGUUAACCGCCUCAGUCCA
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 48 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: 245
n_atoms_counter: 245
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 48.000000 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/test-c326dcf5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-c326dcf5/inputs/seq.fa: 1
curr_seq: _GGACUCGGAAACGUGAAGGAGAGGCGCAAGGUUAACCGCCUCAGUCCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGACUCGGAAACGUGAAGGAGAGGCGCAAGGUUAACCGCCUCAGUCCA
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 48 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: 245
n_atoms_counter: 245
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 48.000000 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/test-c326dcf5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-c326dcf5/inputs/seq.fa: 1
curr_seq: _GGACUCGGAAACGUGAAGGAGAGGCGCAAGGUUAACCGCCUCAGUCCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGACUCGGAAACGUGAAGGAGAGGCGCAAGGUUAACCGCCUCAGUCCA
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 48 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: 245
n_atoms_counter: 245
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 48.000000 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/test-c326dcf5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-c326dcf5/inputs/seq.fa: 1
curr_seq: _GGACUCGGAAACGUGAAGGAGAGGCGCAAGGUUAACCGCCUCAGUCCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGACUCGGAAACGUGAAGGAGAGGCGCAAGGUUAACCGCCUCAGUCCA
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 48 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: 245
n_atoms_counter: 245
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 48.000000 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: -193.348509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.348509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.348509 (E_RNA)
where:
Base-Base interactions energy: -6.183
where: short stacking energy: -6.183
Base-Backbone interact. energy: -0.000
local terms energy: -187.165656
where:
bonds (distance) C4'-P energy: -46.636
bonds (distance) P-C4' energy: -43.838
flat angles C4'-P-C4' energy: -35.243
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -21.135
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: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -193.348509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.348509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.348509 (E_RNA)
where:
Base-Base interactions energy: -6.183
where: short stacking energy: -6.183
Base-Backbone interact. energy: -0.000
local terms energy: -187.165656
where:
bonds (distance) C4'-P energy: -46.636
bonds (distance) P-C4' energy: -43.838
flat angles C4'-P-C4' energy: -35.243
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -21.135
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: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -193.348509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.348509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.348509 (E_RNA)
where:
Base-Base interactions energy: -6.183
where: short stacking energy: -6.183
Base-Backbone interact. energy: -0.000
local terms energy: -187.165656
where:
bonds (distance) C4'-P energy: -46.636
bonds (distance) P-C4' energy: -43.838
flat angles C4'-P-C4' energy: -35.243
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -21.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -193.348509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.348509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.348509 (E_RNA)
where:
Base-Base interactions energy: -6.183
where: short stacking energy: -6.183
Base-Backbone interact. energy: -0.000
local terms energy: -187.165656
where:
bonds (distance) C4'-P energy: -46.636
bonds (distance) P-C4' energy: -43.838
flat angles C4'-P-C4' energy: -35.243
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -21.135
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: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -193.348509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.348509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.348509 (E_RNA)
where:
Base-Base interactions energy: -6.183
where: short stacking energy: -6.183
Base-Backbone interact. energy: -0.000
local terms energy: -187.165656
where:
bonds (distance) C4'-P energy: -46.636
bonds (distance) P-C4' energy: -43.838
flat angles C4'-P-C4' energy: -35.243
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -21.135
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: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -193.348509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.348509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.348509 (E_RNA)
where:
Base-Base interactions energy: -6.183
where: short stacking energy: -6.183
Base-Backbone interact. energy: -0.000
local terms energy: -187.165656
where:
bonds (distance) C4'-P energy: -46.636
bonds (distance) P-C4' energy: -43.838
flat angles C4'-P-C4' energy: -35.243
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -21.135
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: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -193.348509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.348509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.348509 (E_RNA)
where:
Base-Base interactions energy: -6.183
where: short stacking energy: -6.183
Base-Backbone interact. energy: -0.000
local terms energy: -187.165656
where:
bonds (distance) C4'-P energy: -46.636
bonds (distance) P-C4' energy: -43.838
flat angles C4'-P-C4' energy: -35.243
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -21.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -193.348509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.348509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.348509 (E_RNA)
where:
Base-Base interactions energy: -6.183
where: short stacking energy: -6.183
Base-Backbone interact. energy: -0.000
local terms energy: -187.165656
where:
bonds (distance) C4'-P energy: -46.636
bonds (distance) P-C4' energy: -43.838
flat angles C4'-P-C4' energy: -35.243
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -21.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -193.348509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.348509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.348509 (E_RNA)
where:
Base-Base interactions energy: -6.183
where: short stacking energy: -6.183
Base-Backbone interact. energy: -0.000
local terms energy: -187.165656
where:
bonds (distance) C4'-P energy: -46.636
bonds (distance) P-C4' energy: -43.838
flat angles C4'-P-C4' energy: -35.243
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -21.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -193.348509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.348509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.348509 (E_RNA)
where:
Base-Base interactions energy: -6.183
where: short stacking energy: -6.183
Base-Backbone interact. energy: -0.000
local terms energy: -187.165656
where:
bonds (distance) C4'-P energy: -46.636
bonds (distance) P-C4' energy: -43.838
flat angles C4'-P-C4' energy: -35.243
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -21.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -304.514990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.514990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.514990 (E_RNA)
where:
Base-Base interactions energy: -147.137
where: short stacking energy: -132.524
Base-Backbone interact. energy: -0.321
local terms energy: -157.056159
where:
bonds (distance) C4'-P energy: -33.148
bonds (distance) P-C4' energy: -31.555
flat angles C4'-P-C4' energy: -33.055
flat angles P-C4'-P energy: -23.425
tors. eta vs tors. theta energy: -35.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -268.223315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.223315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.223315 (E_RNA)
where:
Base-Base interactions energy: -126.623
where: short stacking energy: -124.311
Base-Backbone interact. energy: -0.073
local terms energy: -141.527658
where:
bonds (distance) C4'-P energy: -21.793
bonds (distance) P-C4' energy: -33.444
flat angles C4'-P-C4' energy: -30.365
flat angles P-C4'-P energy: -21.811
tors. eta vs tors. theta energy: -34.115
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: 2
Temperature: 1.000000
Total energy: -257.146140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.146140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.146140 (E_RNA)
where:
Base-Base interactions energy: -129.644
where: short stacking energy: -105.152
Base-Backbone interact. energy: 0.089
local terms energy: -127.591664
where:
bonds (distance) C4'-P energy: -27.416
bonds (distance) P-C4' energy: -30.177
flat angles C4'-P-C4' energy: -29.497
flat angles P-C4'-P energy: -21.911
tors. eta vs tors. theta energy: -18.591
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: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -224.153800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.153800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.153800 (E_RNA)
where:
Base-Base interactions energy: -98.807
where: short stacking energy: -96.611
Base-Backbone interact. energy: -1.679
local terms energy: -123.668087
where:
bonds (distance) C4'-P energy: -29.710
bonds (distance) P-C4' energy: -29.394
flat angles C4'-P-C4' energy: -30.986
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -22.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -227.574712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.574712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.574712 (E_RNA)
where:
Base-Base interactions energy: -93.700
where: short stacking energy: -93.700
Base-Backbone interact. energy: -0.209
local terms energy: -133.665317
where:
bonds (distance) C4'-P energy: -33.575
bonds (distance) P-C4' energy: -30.842
flat angles C4'-P-C4' energy: -33.226
flat angles P-C4'-P energy: -17.420
tors. eta vs tors. theta energy: -18.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -208.913251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.913251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.913251 (E_RNA)
where:
Base-Base interactions energy: -104.194
where: short stacking energy: -93.483
Base-Backbone interact. energy: -0.095
local terms energy: -104.624266
where:
bonds (distance) C4'-P energy: -25.337
bonds (distance) P-C4' energy: -26.776
flat angles C4'-P-C4' energy: -26.475
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -14.646
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: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -205.023731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.023731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.023731 (E_RNA)
where:
Base-Base interactions energy: -93.895
where: short stacking energy: -77.752
Base-Backbone interact. energy: -0.653
local terms energy: -110.475260
where:
bonds (distance) C4'-P energy: -26.876
bonds (distance) P-C4' energy: -25.263
flat angles C4'-P-C4' energy: -27.090
flat angles P-C4'-P energy: -21.555
tors. eta vs tors. theta energy: -9.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -194.146282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.146282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.146282 (E_RNA)
where:
Base-Base interactions energy: -7.959
where: short stacking energy: -7.959
Base-Backbone interact. energy: -0.000
local terms energy: -186.187272
where:
bonds (distance) C4'-P energy: -46.520
bonds (distance) P-C4' energy: -43.831
flat angles C4'-P-C4' energy: -34.658
flat angles P-C4'-P energy: -40.277
tors. eta vs tors. theta energy: -20.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -194.145752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.145752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.145752 (E_RNA)
where:
Base-Base interactions energy: -7.958
where: short stacking energy: -7.958
Base-Backbone interact. energy: -0.000
local terms energy: -186.187272
where:
bonds (distance) C4'-P energy: -46.520
bonds (distance) P-C4' energy: -43.831
flat angles C4'-P-C4' energy: -34.658
flat angles P-C4'-P energy: -40.277
tors. eta vs tors. theta energy: -20.902
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: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -194.145200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.145200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.145200 (E_RNA)
where:
Base-Base interactions energy: -7.958
where: short stacking energy: -7.958
Base-Backbone interact. energy: -0.000
local terms energy: -186.187272
where:
bonds (distance) C4'-P energy: -46.520
bonds (distance) P-C4' energy: -43.831
flat angles C4'-P-C4' energy: -34.658
flat angles P-C4'-P energy: -40.277
tors. eta vs tors. theta energy: -20.902
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: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -334.185253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.185253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.185253 (E_RNA)
where:
Base-Base interactions energy: -174.550
where: short stacking energy: -133.242
Base-Backbone interact. energy: -0.474
local terms energy: -159.161750
where:
bonds (distance) C4'-P energy: -31.341
bonds (distance) P-C4' energy: -31.978
flat angles C4'-P-C4' energy: -39.119
flat angles P-C4'-P energy: -25.202
tors. eta vs tors. theta energy: -31.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -308.026017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.026017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.026017 (E_RNA)
where:
Base-Base interactions energy: -183.812
where: short stacking energy: -89.658
Base-Backbone interact. energy: 0.493
local terms energy: -124.706676
where:
bonds (distance) C4'-P energy: -27.595
bonds (distance) P-C4' energy: -31.540
flat angles C4'-P-C4' energy: -24.277
flat angles P-C4'-P energy: -23.880
tors. eta vs tors. theta energy: -17.414
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: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -283.230746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.230746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.230746 (E_RNA)
where:
Base-Base interactions energy: -137.288
where: short stacking energy: -118.368
Base-Backbone interact. energy: -0.070
local terms energy: -145.872402
where:
bonds (distance) C4'-P energy: -31.348
bonds (distance) P-C4' energy: -33.700
flat angles C4'-P-C4' energy: -35.290
flat angles P-C4'-P energy: -16.352
tors. eta vs tors. theta energy: -29.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -259.343348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.343348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.343348 (E_RNA)
where:
Base-Base interactions energy: -140.946
where: short stacking energy: -96.878
Base-Backbone interact. energy: -1.820
local terms energy: -116.577539
where:
bonds (distance) C4'-P energy: -20.531
bonds (distance) P-C4' energy: -27.622
flat angles C4'-P-C4' energy: -29.175
flat angles P-C4'-P energy: -19.371
tors. eta vs tors. theta energy: -19.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -226.173349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.173349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.173349 (E_RNA)
where:
Base-Base interactions energy: -104.582
where: short stacking energy: -68.768
Base-Backbone interact. energy: -0.142
local terms energy: -121.449848
where:
bonds (distance) C4'-P energy: -28.512
bonds (distance) P-C4' energy: -25.141
flat angles C4'-P-C4' energy: -29.822
flat angles P-C4'-P energy: -22.328
tors. eta vs tors. theta energy: -15.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -223.982067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.982067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.982067 (E_RNA)
where:
Base-Base interactions energy: -102.778
where: short stacking energy: -93.048
Base-Backbone interact. energy: 0.414
local terms energy: -121.618065
where:
bonds (distance) C4'-P energy: -29.009
bonds (distance) P-C4' energy: -29.740
flat angles C4'-P-C4' energy: -26.589
flat angles P-C4'-P energy: -15.821
tors. eta vs tors. theta energy: -20.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -191.681330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.681330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.681330 (E_RNA)
where:
Base-Base interactions energy: -97.065
where: short stacking energy: -63.566
Base-Backbone interact. energy: -0.977
local terms energy: -93.640084
where:
bonds (distance) C4'-P energy: -29.605
bonds (distance) P-C4' energy: -30.249
flat angles C4'-P-C4' energy: -19.490
flat angles P-C4'-P energy: -14.116
tors. eta vs tors. theta energy: -0.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -173.351823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.351823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.351823 (E_RNA)
where:
Base-Base interactions energy: -68.186
where: short stacking energy: -61.008
Base-Backbone interact. energy: -0.479
local terms energy: -104.686944
where:
bonds (distance) C4'-P energy: -24.696
bonds (distance) P-C4' energy: -30.784
flat angles C4'-P-C4' energy: -24.676
flat angles P-C4'-P energy: -21.649
tors. eta vs tors. theta energy: -2.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -202.905873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.905873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.905873 (E_RNA)
where:
Base-Base interactions energy: -107.465
where: short stacking energy: -70.787
Base-Backbone interact. energy: 0.040
local terms energy: -95.480999
where:
bonds (distance) C4'-P energy: -26.947
bonds (distance) P-C4' energy: -27.655
flat angles C4'-P-C4' energy: -25.469
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: -3.924
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: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -185.724614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.724614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.724614 (E_RNA)
where:
Base-Base interactions energy: -85.183
where: short stacking energy: -44.841
Base-Backbone interact. energy: 3.391
local terms energy: -103.931804
where:
bonds (distance) C4'-P energy: -29.373
bonds (distance) P-C4' energy: -27.318
flat angles C4'-P-C4' energy: -18.985
flat angles P-C4'-P energy: -23.208
tors. eta vs tors. theta energy: -5.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -338.699813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.699813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.699813 (E_RNA)
where:
Base-Base interactions energy: -192.352
where: short stacking energy: -112.981
Base-Backbone interact. energy: 0.749
local terms energy: -147.097649
where:
bonds (distance) C4'-P energy: -30.685
bonds (distance) P-C4' energy: -34.516
flat angles C4'-P-C4' energy: -35.893
flat angles P-C4'-P energy: -20.011
tors. eta vs tors. theta energy: -25.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -338.864547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.864547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.864547 (E_RNA)
where:
Base-Base interactions energy: -195.009
where: short stacking energy: -118.928
Base-Backbone interact. energy: -0.498
local terms energy: -143.357638
where:
bonds (distance) C4'-P energy: -30.528
bonds (distance) P-C4' energy: -33.958
flat angles C4'-P-C4' energy: -31.907
flat angles P-C4'-P energy: -21.319
tors. eta vs tors. theta energy: -25.645
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: 4
Temperature: 1.000000
Total energy: -306.684556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.684556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.684556 (E_RNA)
where:
Base-Base interactions energy: -166.944
where: short stacking energy: -98.131
Base-Backbone interact. energy: -1.599
local terms energy: -138.141906
where:
bonds (distance) C4'-P energy: -25.879
bonds (distance) P-C4' energy: -31.514
flat angles C4'-P-C4' energy: -36.344
flat angles P-C4'-P energy: -22.715
tors. eta vs tors. theta energy: -21.691
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: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -290.678756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.678756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.678756 (E_RNA)
where:
Base-Base interactions energy: -156.231
where: short stacking energy: -121.134
Base-Backbone interact. energy: -0.095
local terms energy: -134.353341
where:
bonds (distance) C4'-P energy: -24.198
bonds (distance) P-C4' energy: -30.107
flat angles C4'-P-C4' energy: -35.058
flat angles P-C4'-P energy: -20.012
tors. eta vs tors. theta energy: -24.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -232.716964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.716964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.716964 (E_RNA)
where:
Base-Base interactions energy: -111.233
where: short stacking energy: -95.064
Base-Backbone interact. energy: -0.468
local terms energy: -121.016492
where:
bonds (distance) C4'-P energy: -28.168
bonds (distance) P-C4' energy: -25.025
flat angles C4'-P-C4' energy: -24.394
flat angles P-C4'-P energy: -21.280
tors. eta vs tors. theta energy: -22.150
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: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -200.629556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.629556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.629556 (E_RNA)
where:
Base-Base interactions energy: -92.979
where: short stacking energy: -75.501
Base-Backbone interact. energy: -1.356
local terms energy: -106.294576
where:
bonds (distance) C4'-P energy: -31.481
bonds (distance) P-C4' energy: -31.999
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -14.601
tors. eta vs tors. theta energy: -10.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -216.963737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.963737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.963737 (E_RNA)
where:
Base-Base interactions energy: -103.017
where: short stacking energy: -59.368
Base-Backbone interact. energy: -0.581
local terms energy: -113.365942
where:
bonds (distance) C4'-P energy: -28.931
bonds (distance) P-C4' energy: -34.410
flat angles C4'-P-C4' energy: -26.600
flat angles P-C4'-P energy: -16.504
tors. eta vs tors. theta energy: -6.921
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: 8
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -180.388728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.388728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.388728 (E_RNA)
where:
Base-Base interactions energy: -68.136
where: short stacking energy: -67.279
Base-Backbone interact. energy: -0.288
local terms energy: -111.964486
where:
bonds (distance) C4'-P energy: -33.398
bonds (distance) P-C4' energy: -31.359
flat angles C4'-P-C4' energy: -25.575
flat angles P-C4'-P energy: -15.846
tors. eta vs tors. theta energy: -5.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -210.944160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.944160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.944160 (E_RNA)
where:
Base-Base interactions energy: -104.769
where: short stacking energy: -61.299
Base-Backbone interact. energy: -0.576
local terms energy: -105.599258
where:
bonds (distance) C4'-P energy: -30.868
bonds (distance) P-C4' energy: -27.775
flat angles C4'-P-C4' energy: -28.801
flat angles P-C4'-P energy: -12.650
tors. eta vs tors. theta energy: -5.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -137.979902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.979902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.979902 (E_RNA)
where:
Base-Base interactions energy: -36.928
where: short stacking energy: -30.856
Base-Backbone interact. energy: -0.319
local terms energy: -100.732744
where:
bonds (distance) C4'-P energy: -23.714
bonds (distance) P-C4' energy: -29.610
flat angles C4'-P-C4' energy: -31.115
flat angles P-C4'-P energy: -20.376
tors. eta vs tors. theta energy: 4.082
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: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -355.338527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.338527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.338527 (E_RNA)
where:
Base-Base interactions energy: -209.515
where: short stacking energy: -117.740
Base-Backbone interact. energy: -1.049
local terms energy: -144.774503
where:
bonds (distance) C4'-P energy: -32.260
bonds (distance) P-C4' energy: -30.046
flat angles C4'-P-C4' energy: -32.530
flat angles P-C4'-P energy: -18.154
tors. eta vs tors. theta energy: -31.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -367.418971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.418971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.418971 (E_RNA)
where:
Base-Base interactions energy: -229.415
where: short stacking energy: -110.223
Base-Backbone interact. energy: -1.244
local terms energy: -136.760321
where:
bonds (distance) C4'-P energy: -32.184
bonds (distance) P-C4' energy: -29.847
flat angles C4'-P-C4' energy: -32.756
flat angles P-C4'-P energy: -20.941
tors. eta vs tors. theta energy: -21.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -323.146114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.146114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.146114 (E_RNA)
where:
Base-Base interactions energy: -191.673
where: short stacking energy: -108.968
Base-Backbone interact. energy: 0.802
local terms energy: -132.274717
where:
bonds (distance) C4'-P energy: -35.723
bonds (distance) P-C4' energy: -24.805
flat angles C4'-P-C4' energy: -27.714
flat angles P-C4'-P energy: -24.979
tors. eta vs tors. theta energy: -19.054
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: 4, replica: 3
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -276.635826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.635826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.635826 (E_RNA)
where:
Base-Base interactions energy: -131.602
where: short stacking energy: -92.240
Base-Backbone interact. energy: -0.168
local terms energy: -144.865829
where:
bonds (distance) C4'-P energy: -33.409
bonds (distance) P-C4' energy: -34.191
flat angles C4'-P-C4' energy: -33.377
flat angles P-C4'-P energy: -22.514
tors. eta vs tors. theta energy: -21.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -233.950643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.950643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.950643 (E_RNA)
where:
Base-Base interactions energy: -123.335
where: short stacking energy: -78.229
Base-Backbone interact. energy: 0.491
local terms energy: -111.106519
where:
bonds (distance) C4'-P energy: -22.804
bonds (distance) P-C4' energy: -33.390
flat angles C4'-P-C4' energy: -28.922
flat angles P-C4'-P energy: -16.679
tors. eta vs tors. theta energy: -9.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -254.184946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.184946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.184946 (E_RNA)
where:
Base-Base interactions energy: -141.846
where: short stacking energy: -79.176
Base-Backbone interact. energy: -0.354
local terms energy: -111.984909
where:
bonds (distance) C4'-P energy: -32.818
bonds (distance) P-C4' energy: -26.750
flat angles C4'-P-C4' energy: -28.244
flat angles P-C4'-P energy: -19.600
tors. eta vs tors. theta energy: -4.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -178.989512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.989512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.989512 (E_RNA)
where:
Base-Base interactions energy: -80.138
where: short stacking energy: -68.379
Base-Backbone interact. energy: 1.083
local terms energy: -99.934809
where:
bonds (distance) C4'-P energy: -26.653
bonds (distance) P-C4' energy: -32.880
flat angles C4'-P-C4' energy: -24.516
flat angles P-C4'-P energy: -7.264
tors. eta vs tors. theta energy: -8.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -241.172512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.172512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.172512 (E_RNA)
where:
Base-Base interactions energy: -138.167
where: short stacking energy: -81.111
Base-Backbone interact. energy: -0.725
local terms energy: -102.279909
where:
bonds (distance) C4'-P energy: -22.430
bonds (distance) P-C4' energy: -28.122
flat angles C4'-P-C4' energy: -23.772
flat angles P-C4'-P energy: -16.056
tors. eta vs tors. theta energy: -11.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -173.070206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.070206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.070206 (E_RNA)
where:
Base-Base interactions energy: -65.836
where: short stacking energy: -62.077
Base-Backbone interact. energy: -0.276
local terms energy: -106.957527
where:
bonds (distance) C4'-P energy: -18.766
bonds (distance) P-C4' energy: -36.121
flat angles C4'-P-C4' energy: -26.484
flat angles P-C4'-P energy: -19.713
tors. eta vs tors. theta energy: -5.873
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: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -145.120991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.120991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.120991 (E_RNA)
where:
Base-Base interactions energy: -65.551
where: short stacking energy: -43.532
Base-Backbone interact. energy: 1.179
local terms energy: -80.749193
where:
bonds (distance) C4'-P energy: -18.693
bonds (distance) P-C4' energy: -30.868
flat angles C4'-P-C4' energy: -23.225
flat angles P-C4'-P energy: -16.811
tors. eta vs tors. theta energy: 8.848
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: 1, replica: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -387.328760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.328760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.328760 (E_RNA)
where:
Base-Base interactions energy: -232.414
where: short stacking energy: -134.786
Base-Backbone interact. energy: -0.389
local terms energy: -154.526317
where:
bonds (distance) C4'-P energy: -33.325
bonds (distance) P-C4' energy: -34.050
flat angles C4'-P-C4' energy: -29.037
flat angles P-C4'-P energy: -23.394
tors. eta vs tors. theta energy: -34.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -357.715002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.715002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.715002 (E_RNA)
where:
Base-Base interactions energy: -207.822
where: short stacking energy: -126.890
Base-Backbone interact. energy: -0.348
local terms energy: -149.545380
where:
bonds (distance) C4'-P energy: -33.242
bonds (distance) P-C4' energy: -29.019
flat angles C4'-P-C4' energy: -36.225
flat angles P-C4'-P energy: -18.472
tors. eta vs tors. theta energy: -32.588
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: 5
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -348.770493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.770493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.770493 (E_RNA)
where:
Base-Base interactions energy: -214.138
where: short stacking energy: -111.962
Base-Backbone interact. energy: -0.955
local terms energy: -133.677279
where:
bonds (distance) C4'-P energy: -32.159
bonds (distance) P-C4' energy: -28.125
flat angles C4'-P-C4' energy: -28.571
flat angles P-C4'-P energy: -21.260
tors. eta vs tors. theta energy: -23.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -280.842510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.842510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.842510 (E_RNA)
where:
Base-Base interactions energy: -165.093
where: short stacking energy: -80.946
Base-Backbone interact. energy: -0.814
local terms energy: -114.935646
where:
bonds (distance) C4'-P energy: -27.216
bonds (distance) P-C4' energy: -26.872
flat angles C4'-P-C4' energy: -28.851
flat angles P-C4'-P energy: -18.551
tors. eta vs tors. theta energy: -13.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -269.441726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.441726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.441726 (E_RNA)
where:
Base-Base interactions energy: -159.734
where: short stacking energy: -78.659
Base-Backbone interact. energy: -1.969
local terms energy: -107.738695
where:
bonds (distance) C4'-P energy: -26.937
bonds (distance) P-C4' energy: -20.996
flat angles C4'-P-C4' energy: -29.176
flat angles P-C4'-P energy: -17.244
tors. eta vs tors. theta energy: -13.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -209.327063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.327063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.327063 (E_RNA)
where:
Base-Base interactions energy: -96.468
where: short stacking energy: -78.873
Base-Backbone interact. energy: 1.208
local terms energy: -114.067331
where:
bonds (distance) C4'-P energy: -30.952
bonds (distance) P-C4' energy: -34.565
flat angles C4'-P-C4' energy: -26.016
flat angles P-C4'-P energy: -3.547
tors. eta vs tors. theta energy: -18.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -238.148143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.148143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.148143 (E_RNA)
where:
Base-Base interactions energy: -128.178
where: short stacking energy: -65.128
Base-Backbone interact. energy: -0.854
local terms energy: -109.115497
where:
bonds (distance) C4'-P energy: -23.225
bonds (distance) P-C4' energy: -29.372
flat angles C4'-P-C4' energy: -30.840
flat angles P-C4'-P energy: -15.774
tors. eta vs tors. theta energy: -9.904
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: 8, replica: 4
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -201.751618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.751618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.751618 (E_RNA)
where:
Base-Base interactions energy: -83.431
where: short stacking energy: -78.478
Base-Backbone interact. energy: -0.371
local terms energy: -117.949404
where:
bonds (distance) C4'-P energy: -33.056
bonds (distance) P-C4' energy: -22.872
flat angles C4'-P-C4' energy: -25.133
flat angles P-C4'-P energy: -21.745
tors. eta vs tors. theta energy: -15.143
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: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -186.437753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.437753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.437753 (E_RNA)
where:
Base-Base interactions energy: -83.930
where: short stacking energy: -63.445
Base-Backbone interact. energy: -0.001
local terms energy: -102.506807
where:
bonds (distance) C4'-P energy: -28.641
bonds (distance) P-C4' energy: -30.157
flat angles C4'-P-C4' energy: -22.071
flat angles P-C4'-P energy: -17.708
tors. eta vs tors. theta energy: -3.930
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: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -158.676555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.676555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.676555 (E_RNA)
where:
Base-Base interactions energy: -59.813
where: short stacking energy: -43.110
Base-Backbone interact. energy: -1.463
local terms energy: -97.400219
where:
bonds (distance) C4'-P energy: -27.487
bonds (distance) P-C4' energy: -28.772
flat angles C4'-P-C4' energy: -24.081
flat angles P-C4'-P energy: -15.522
tors. eta vs tors. theta energy: -1.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -427.664381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.664381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.664381 (E_RNA)
where:
Base-Base interactions energy: -269.552
where: short stacking energy: -136.403
Base-Backbone interact. energy: -0.414
local terms energy: -157.698645
where:
bonds (distance) C4'-P energy: -32.720
bonds (distance) P-C4' energy: -32.293
flat angles C4'-P-C4' energy: -34.184
flat angles P-C4'-P energy: -20.884
tors. eta vs tors. theta energy: -37.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -362.660303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.660303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.660303 (E_RNA)
where:
Base-Base interactions energy: -230.965
where: short stacking energy: -134.127
Base-Backbone interact. energy: -0.897
local terms energy: -130.798929
where:
bonds (distance) C4'-P energy: -25.457
bonds (distance) P-C4' energy: -32.245
flat angles C4'-P-C4' energy: -26.529
flat angles P-C4'-P energy: -18.601
tors. eta vs tors. theta energy: -27.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -341.892604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.892604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.892604 (E_RNA)
where:
Base-Base interactions energy: -193.013
where: short stacking energy: -120.483
Base-Backbone interact. energy: 0.418
local terms energy: -149.297477
where:
bonds (distance) C4'-P energy: -32.365
bonds (distance) P-C4' energy: -31.226
flat angles C4'-P-C4' energy: -33.056
flat angles P-C4'-P energy: -24.529
tors. eta vs tors. theta energy: -28.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -304.162761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.162761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.162761 (E_RNA)
where:
Base-Base interactions energy: -169.562
where: short stacking energy: -95.919
Base-Backbone interact. energy: 1.026
local terms energy: -135.626285
where:
bonds (distance) C4'-P energy: -32.946
bonds (distance) P-C4' energy: -32.598
flat angles C4'-P-C4' energy: -32.404
flat angles P-C4'-P energy: -20.521
tors. eta vs tors. theta energy: -17.157
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: 7
Temperature: 1.100000
Total energy: -245.938651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.938651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.938651 (E_RNA)
where:
Base-Base interactions energy: -128.334
where: short stacking energy: -75.837
Base-Backbone interact. energy: -0.955
local terms energy: -116.649173
where:
bonds (distance) C4'-P energy: -31.948
bonds (distance) P-C4' energy: -30.623
flat angles C4'-P-C4' energy: -25.415
flat angles P-C4'-P energy: -15.434
tors. eta vs tors. theta energy: -13.229
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: 9
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -306.977791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.977791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.977791 (E_RNA)
where:
Base-Base interactions energy: -186.474
where: short stacking energy: -102.944
Base-Backbone interact. energy: -0.676
local terms energy: -119.827728
where:
bonds (distance) C4'-P energy: -25.186
bonds (distance) P-C4' energy: -28.033
flat angles C4'-P-C4' energy: -34.328
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -23.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -205.745844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.745844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.745844 (E_RNA)
where:
Base-Base interactions energy: -101.620
where: short stacking energy: -65.917
Base-Backbone interact. energy: -0.114
local terms energy: -104.012097
where:
bonds (distance) C4'-P energy: -25.266
bonds (distance) P-C4' energy: -27.457
flat angles C4'-P-C4' energy: -30.506
flat angles P-C4'-P energy: -16.222
tors. eta vs tors. theta energy: -4.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -182.346204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.346204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.346204 (E_RNA)
where:
Base-Base interactions energy: -87.621
where: short stacking energy: -54.301
Base-Backbone interact. energy: 1.013
local terms energy: -95.737735
where:
bonds (distance) C4'-P energy: -31.212
bonds (distance) P-C4' energy: -33.503
flat angles C4'-P-C4' energy: -19.734
flat angles P-C4'-P energy: -8.493
tors. eta vs tors. theta energy: -2.795
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: 4
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -167.404170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.404170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.404170 (E_RNA)
where:
Base-Base interactions energy: -65.308
where: short stacking energy: -60.592
Base-Backbone interact. energy: -0.314
local terms energy: -101.782379
where:
bonds (distance) C4'-P energy: -24.243
bonds (distance) P-C4' energy: -19.146
flat angles C4'-P-C4' energy: -29.791
flat angles P-C4'-P energy: -17.585
tors. eta vs tors. theta energy: -11.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -151.303928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.303928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.303928 (E_RNA)
where:
Base-Base interactions energy: -71.263
where: short stacking energy: -68.236
Base-Backbone interact. energy: 0.009
local terms energy: -80.049967
where:
bonds (distance) C4'-P energy: -24.397
bonds (distance) P-C4' energy: -22.853
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -7.292
tors. eta vs tors. theta energy: -9.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -410.706522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.706522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.706522 (E_RNA)
where:
Base-Base interactions energy: -259.363
where: short stacking energy: -136.111
Base-Backbone interact. energy: -0.402
local terms energy: -150.941284
where:
bonds (distance) C4'-P energy: -27.355
bonds (distance) P-C4' energy: -31.811
flat angles C4'-P-C4' energy: -35.142
flat angles P-C4'-P energy: -21.463
tors. eta vs tors. theta energy: -35.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -377.499736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.499736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.499736 (E_RNA)
where:
Base-Base interactions energy: -233.558
where: short stacking energy: -124.064
Base-Backbone interact. energy: 0.521
local terms energy: -144.462966
where:
bonds (distance) C4'-P energy: -28.602
bonds (distance) P-C4' energy: -32.150
flat angles C4'-P-C4' energy: -34.814
flat angles P-C4'-P energy: -22.426
tors. eta vs tors. theta energy: -26.471
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: 1
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -371.702959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.702959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.702959 (E_RNA)
where:
Base-Base interactions energy: -234.546
where: short stacking energy: -124.044
Base-Backbone interact. energy: -0.275
local terms energy: -136.881918
where:
bonds (distance) C4'-P energy: -30.267
bonds (distance) P-C4' energy: -28.584
flat angles C4'-P-C4' energy: -31.866
flat angles P-C4'-P energy: -18.273
tors. eta vs tors. theta energy: -27.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -277.338862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.338862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.338862 (E_RNA)
where:
Base-Base interactions energy: -154.828
where: short stacking energy: -107.730
Base-Backbone interact. energy: 0.511
local terms energy: -123.021126
where:
bonds (distance) C4'-P energy: -27.504
bonds (distance) P-C4' energy: -31.348
flat angles C4'-P-C4' energy: -23.311
flat angles P-C4'-P energy: -22.562
tors. eta vs tors. theta energy: -18.297
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: 9
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -332.964582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.964582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.964582 (E_RNA)
where:
Base-Base interactions energy: -207.754
where: short stacking energy: -99.956
Base-Backbone interact. energy: -2.451
local terms energy: -122.759504
where:
bonds (distance) C4'-P energy: -17.563
bonds (distance) P-C4' energy: -30.503
flat angles C4'-P-C4' energy: -33.644
flat angles P-C4'-P energy: -19.098
tors. eta vs tors. theta energy: -21.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -234.245259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.245259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.245259 (E_RNA)
where:
Base-Base interactions energy: -114.993
where: short stacking energy: -73.628
Base-Backbone interact. energy: -0.343
local terms energy: -118.909547
where:
bonds (distance) C4'-P energy: -26.385
bonds (distance) P-C4' energy: -27.576
flat angles C4'-P-C4' energy: -32.576
flat angles P-C4'-P energy: -21.869
tors. eta vs tors. theta energy: -10.503
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: 7
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -192.459961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.459961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.459961 (E_RNA)
where:
Base-Base interactions energy: -90.622
where: short stacking energy: -61.211
Base-Backbone interact. energy: -0.368
local terms energy: -101.469785
where:
bonds (distance) C4'-P energy: -21.867
bonds (distance) P-C4' energy: -32.862
flat angles C4'-P-C4' energy: -18.754
flat angles P-C4'-P energy: -23.848
tors. eta vs tors. theta energy: -4.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -194.607138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.607138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.607138 (E_RNA)
where:
Base-Base interactions energy: -95.159
where: short stacking energy: -51.631
Base-Backbone interact. energy: -1.139
local terms energy: -98.309062
where:
bonds (distance) C4'-P energy: -28.292
bonds (distance) P-C4' energy: -29.017
flat angles C4'-P-C4' energy: -28.191
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -0.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -180.113363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.113363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.113363 (E_RNA)
where:
Base-Base interactions energy: -81.082
where: short stacking energy: -74.577
Base-Backbone interact. energy: 0.092
local terms energy: -99.123471
where:
bonds (distance) C4'-P energy: -28.235
bonds (distance) P-C4' energy: -26.958
flat angles C4'-P-C4' energy: -27.310
flat angles P-C4'-P energy: -12.281
tors. eta vs tors. theta energy: -4.340
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: 10, replica: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -152.323986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.323986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.323986 (E_RNA)
where:
Base-Base interactions energy: -63.962
where: short stacking energy: -58.241
Base-Backbone interact. energy: 0.193
local terms energy: -88.554906
where:
bonds (distance) C4'-P energy: -22.098
bonds (distance) P-C4' energy: -30.782
flat angles C4'-P-C4' energy: -21.896
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -3.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -421.775943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.775943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.775943 (E_RNA)
where:
Base-Base interactions energy: -268.539
where: short stacking energy: -145.070
Base-Backbone interact. energy: 0.624
local terms energy: -153.860607
where:
bonds (distance) C4'-P energy: -33.303
bonds (distance) P-C4' energy: -29.942
flat angles C4'-P-C4' energy: -31.628
flat angles P-C4'-P energy: -24.347
tors. eta vs tors. theta energy: -34.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -369.537961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.537961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.537961 (E_RNA)
where:
Base-Base interactions energy: -226.079
where: short stacking energy: -124.151
Base-Backbone interact. energy: -0.765
local terms energy: -142.694061
where:
bonds (distance) C4'-P energy: -32.444
bonds (distance) P-C4' energy: -32.712
flat angles C4'-P-C4' energy: -33.921
flat angles P-C4'-P energy: -19.498
tors. eta vs tors. theta energy: -24.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -399.822204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.822204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.822204 (E_RNA)
where:
Base-Base interactions energy: -247.159
where: short stacking energy: -136.227
Base-Backbone interact. energy: -1.938
local terms energy: -150.725799
where:
bonds (distance) C4'-P energy: -32.841
bonds (distance) P-C4' energy: -35.298
flat angles C4'-P-C4' energy: -32.598
flat angles P-C4'-P energy: -22.469
tors. eta vs tors. theta energy: -27.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -328.202034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.202034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.202034 (E_RNA)
where:
Base-Base interactions energy: -188.854
where: short stacking energy: -106.045
Base-Backbone interact. energy: -2.235
local terms energy: -137.113014
where:
bonds (distance) C4'-P energy: -28.587
bonds (distance) P-C4' energy: -32.271
flat angles C4'-P-C4' energy: -36.134
flat angles P-C4'-P energy: -18.186
tors. eta vs tors. theta energy: -21.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -263.894320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.894320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.894320 (E_RNA)
where:
Base-Base interactions energy: -133.225
where: short stacking energy: -93.408
Base-Backbone interact. energy: -1.158
local terms energy: -129.510633
where:
bonds (distance) C4'-P energy: -23.730
bonds (distance) P-C4' energy: -31.517
flat angles C4'-P-C4' energy: -33.038
flat angles P-C4'-P energy: -21.111
tors. eta vs tors. theta energy: -20.115
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: 7
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -269.964090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.964090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.964090 (E_RNA)
where:
Base-Base interactions energy: -151.385
where: short stacking energy: -95.256
Base-Backbone interact. energy: 0.236
local terms energy: -118.815640
where:
bonds (distance) C4'-P energy: -26.278
bonds (distance) P-C4' energy: -31.058
flat angles C4'-P-C4' energy: -27.023
flat angles P-C4'-P energy: -20.399
tors. eta vs tors. theta energy: -14.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -186.139254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.139254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.139254 (E_RNA)
where:
Base-Base interactions energy: -73.764
where: short stacking energy: -70.918
Base-Backbone interact. energy: -0.765
local terms energy: -111.609849
where:
bonds (distance) C4'-P energy: -25.022
bonds (distance) P-C4' energy: -31.118
flat angles C4'-P-C4' energy: -29.126
flat angles P-C4'-P energy: -17.898
tors. eta vs tors. theta energy: -8.446
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: 8, replica: 8
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -202.812535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.812535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.812535 (E_RNA)
where:
Base-Base interactions energy: -83.577
where: short stacking energy: -68.258
Base-Backbone interact. energy: -1.400
local terms energy: -117.835363
where:
bonds (distance) C4'-P energy: -28.099
bonds (distance) P-C4' energy: -34.999
flat angles C4'-P-C4' energy: -21.992
flat angles P-C4'-P energy: -20.263
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: 9, replica: 4
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -156.954379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.954379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.954379 (E_RNA)
where:
Base-Base interactions energy: -59.647
where: short stacking energy: -46.244
Base-Backbone interact. energy: -0.640
local terms energy: -96.668076
where:
bonds (distance) C4'-P energy: -23.176
bonds (distance) P-C4' energy: -25.500
flat angles C4'-P-C4' energy: -30.081
flat angles P-C4'-P energy: -20.088
tors. eta vs tors. theta energy: 2.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -149.315223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.315223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.315223 (E_RNA)
where:
Base-Base interactions energy: -49.540
where: short stacking energy: -49.013
Base-Backbone interact. energy: -0.933
local terms energy: -98.842390
where:
bonds (distance) C4'-P energy: -31.593
bonds (distance) P-C4' energy: -23.278
flat angles C4'-P-C4' energy: -25.479
flat angles P-C4'-P energy: -19.368
tors. eta vs tors. theta energy: 0.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -412.864905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.864905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.864905 (E_RNA)
where:
Base-Base interactions energy: -263.350
where: short stacking energy: -126.248
Base-Backbone interact. energy: 0.079
local terms energy: -149.593424
where:
bonds (distance) C4'-P energy: -32.913
bonds (distance) P-C4' energy: -34.645
flat angles C4'-P-C4' energy: -33.214
flat angles P-C4'-P energy: -20.148
tors. eta vs tors. theta energy: -28.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -389.200496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.200496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.200496 (E_RNA)
where:
Base-Base interactions energy: -238.487
where: short stacking energy: -126.212
Base-Backbone interact. energy: -0.830
local terms energy: -149.884108
where:
bonds (distance) C4'-P energy: -30.227
bonds (distance) P-C4' energy: -32.574
flat angles C4'-P-C4' energy: -32.105
flat angles P-C4'-P energy: -24.238
tors. eta vs tors. theta energy: -30.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -387.890711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.890711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.890711 (E_RNA)
where:
Base-Base interactions energy: -237.283
where: short stacking energy: -120.104
Base-Backbone interact. energy: -0.138
local terms energy: -150.469974
where:
bonds (distance) C4'-P energy: -27.668
bonds (distance) P-C4' energy: -34.113
flat angles C4'-P-C4' energy: -39.532
flat angles P-C4'-P energy: -24.497
tors. eta vs tors. theta energy: -24.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -339.393360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.393360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.393360 (E_RNA)
where:
Base-Base interactions energy: -217.356
where: short stacking energy: -94.067
Base-Backbone interact. energy: 1.536
local terms energy: -123.572703
where:
bonds (distance) C4'-P energy: -27.701
bonds (distance) P-C4' energy: -30.525
flat angles C4'-P-C4' energy: -30.980
flat angles P-C4'-P energy: -17.761
tors. eta vs tors. theta energy: -16.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -295.077716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.077716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.077716 (E_RNA)
where:
Base-Base interactions energy: -162.045
where: short stacking energy: -101.267
Base-Backbone interact. energy: -0.329
local terms energy: -132.704082
where:
bonds (distance) C4'-P energy: -23.275
bonds (distance) P-C4' energy: -29.671
flat angles C4'-P-C4' energy: -31.770
flat angles P-C4'-P energy: -16.672
tors. eta vs tors. theta energy: -31.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -306.298110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.298110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.298110 (E_RNA)
where:
Base-Base interactions energy: -198.812
where: short stacking energy: -87.002
Base-Backbone interact. energy: -0.583
local terms energy: -106.902863
where:
bonds (distance) C4'-P energy: -34.638
bonds (distance) P-C4' energy: -23.732
flat angles C4'-P-C4' energy: -26.557
flat angles P-C4'-P energy: -14.878
tors. eta vs tors. theta energy: -7.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -233.253004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.253004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.253004 (E_RNA)
where:
Base-Base interactions energy: -124.492
where: short stacking energy: -61.116
Base-Backbone interact. energy: -0.249
local terms energy: -108.512766
where:
bonds (distance) C4'-P energy: -23.871
bonds (distance) P-C4' energy: -30.915
flat angles C4'-P-C4' energy: -32.498
flat angles P-C4'-P energy: -20.811
tors. eta vs tors. theta energy: -0.418
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: 3
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -165.458432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.458432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.458432 (E_RNA)
where:
Base-Base interactions energy: -60.154
where: short stacking energy: -58.457
Base-Backbone interact. energy: -0.264
local terms energy: -105.041139
where:
bonds (distance) C4'-P energy: -28.033
bonds (distance) P-C4' energy: -23.645
flat angles C4'-P-C4' energy: -29.569
flat angles P-C4'-P energy: -18.006
tors. eta vs tors. theta energy: -5.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -153.192658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.192658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.192658 (E_RNA)
where:
Base-Base interactions energy: -62.588
where: short stacking energy: -50.556
Base-Backbone interact. energy: -0.327
local terms energy: -90.277818
where:
bonds (distance) C4'-P energy: -29.774
bonds (distance) P-C4' energy: -30.188
flat angles C4'-P-C4' energy: -19.306
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -1.038
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: 4
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -149.582691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.582691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.582691 (E_RNA)
where:
Base-Base interactions energy: -69.580
where: short stacking energy: -50.411
Base-Backbone interact. energy: -0.430
local terms energy: -79.572975
where:
bonds (distance) C4'-P energy: -19.486
bonds (distance) P-C4' energy: -19.010
flat angles C4'-P-C4' energy: -19.353
flat angles P-C4'-P energy: -15.942
tors. eta vs tors. theta energy: -5.782
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: 5
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -421.243613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.243613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.243613 (E_RNA)
where:
Base-Base interactions energy: -258.625
where: short stacking energy: -130.136
Base-Backbone interact. energy: -1.063
local terms energy: -161.555561
where:
bonds (distance) C4'-P energy: -31.971
bonds (distance) P-C4' energy: -38.157
flat angles C4'-P-C4' energy: -32.187
flat angles P-C4'-P energy: -27.192
tors. eta vs tors. theta energy: -32.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -410.039057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.039057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.039057 (E_RNA)
where:
Base-Base interactions energy: -260.988
where: short stacking energy: -119.178
Base-Backbone interact. energy: -1.082
local terms energy: -147.969085
where:
bonds (distance) C4'-P energy: -31.878
bonds (distance) P-C4' energy: -31.138
flat angles C4'-P-C4' energy: -33.087
flat angles P-C4'-P energy: -22.148
tors. eta vs tors. theta energy: -29.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -399.040838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.040838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.040838 (E_RNA)
where:
Base-Base interactions energy: -264.799
where: short stacking energy: -124.631
Base-Backbone interact. energy: -0.892
local terms energy: -133.350350
where:
bonds (distance) C4'-P energy: -30.085
bonds (distance) P-C4' energy: -29.206
flat angles C4'-P-C4' energy: -26.480
flat angles P-C4'-P energy: -18.571
tors. eta vs tors. theta energy: -29.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -354.776777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.776777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.776777 (E_RNA)
where:
Base-Base interactions energy: -214.587
where: short stacking energy: -103.817
Base-Backbone interact. energy: -1.533
local terms energy: -138.656892
where:
bonds (distance) C4'-P energy: -31.403
bonds (distance) P-C4' energy: -33.583
flat angles C4'-P-C4' energy: -30.008
flat angles P-C4'-P energy: -19.444
tors. eta vs tors. theta energy: -24.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -283.905631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.905631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.905631 (E_RNA)
where:
Base-Base interactions energy: -145.978
where: short stacking energy: -90.220
Base-Backbone interact. energy: -0.384
local terms energy: -137.543154
where:
bonds (distance) C4'-P energy: -25.735
bonds (distance) P-C4' energy: -31.958
flat angles C4'-P-C4' energy: -31.670
flat angles P-C4'-P energy: -23.036
tors. eta vs tors. theta energy: -25.145
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: 6
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -381.777732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.777732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.777732 (E_RNA)
where:
Base-Base interactions energy: -248.368
where: short stacking energy: -115.264
Base-Backbone interact. energy: -0.826
local terms energy: -132.583889
where:
bonds (distance) C4'-P energy: -22.992
bonds (distance) P-C4' energy: -34.166
flat angles C4'-P-C4' energy: -25.068
flat angles P-C4'-P energy: -24.027
tors. eta vs tors. theta energy: -26.331
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: 8
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -204.910597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.910597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.910597 (E_RNA)
where:
Base-Base interactions energy: -89.311
where: short stacking energy: -61.647
Base-Backbone interact. energy: -0.761
local terms energy: -114.838562
where:
bonds (distance) C4'-P energy: -33.049
bonds (distance) P-C4' energy: -28.111
flat angles C4'-P-C4' energy: -24.001
flat angles P-C4'-P energy: -15.344
tors. eta vs tors. theta energy: -14.334
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: 8, replica: 10
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -179.491838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.491838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.491838 (E_RNA)
where:
Base-Base interactions energy: -81.158
where: short stacking energy: -47.629
Base-Backbone interact. energy: -0.260
local terms energy: -98.074156
where:
bonds (distance) C4'-P energy: -22.881
bonds (distance) P-C4' energy: -32.894
flat angles C4'-P-C4' energy: -22.916
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -9.767
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: 3
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -173.716091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.716091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.716091 (E_RNA)
where:
Base-Base interactions energy: -80.119
where: short stacking energy: -49.586
Base-Backbone interact. energy: -0.708
local terms energy: -92.889612
where:
bonds (distance) C4'-P energy: -26.697
bonds (distance) P-C4' energy: -30.213
flat angles C4'-P-C4' energy: -24.849
flat angles P-C4'-P energy: -16.005
tors. eta vs tors. theta energy: 4.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -144.108555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.108555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.108555 (E_RNA)
where:
Base-Base interactions energy: -54.999
where: short stacking energy: -35.113
Base-Backbone interact. energy: -1.144
local terms energy: -87.965316
where:
bonds (distance) C4'-P energy: -23.441
bonds (distance) P-C4' energy: -30.943
flat angles C4'-P-C4' energy: -26.268
flat angles P-C4'-P energy: -14.389
tors. eta vs tors. theta energy: 7.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -407.341429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.341429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.341429 (E_RNA)
where:
Base-Base interactions energy: -253.300
where: short stacking energy: -124.757
Base-Backbone interact. energy: -0.495
local terms energy: -153.546408
where:
bonds (distance) C4'-P energy: -35.039
bonds (distance) P-C4' energy: -34.859
flat angles C4'-P-C4' energy: -30.672
flat angles P-C4'-P energy: -20.855
tors. eta vs tors. theta energy: -32.121
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: 2
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -387.586466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.586466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.586466 (E_RNA)
where:
Base-Base interactions energy: -242.294
where: short stacking energy: -120.490
Base-Backbone interact. energy: -0.364
local terms energy: -144.929036
where:
bonds (distance) C4'-P energy: -25.942
bonds (distance) P-C4' energy: -32.745
flat angles C4'-P-C4' energy: -25.771
flat angles P-C4'-P energy: -26.775
tors. eta vs tors. theta energy: -33.697
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: 1
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -404.879573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.879573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.879573 (E_RNA)
where:
Base-Base interactions energy: -263.680
where: short stacking energy: -125.673
Base-Backbone interact. energy: -0.452
local terms energy: -140.747254
where:
bonds (distance) C4'-P energy: -24.743
bonds (distance) P-C4' energy: -32.427
flat angles C4'-P-C4' energy: -35.026
flat angles P-C4'-P energy: -18.605
tors. eta vs tors. theta energy: -29.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -355.576014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.576014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.576014 (E_RNA)
where:
Base-Base interactions energy: -211.210
where: short stacking energy: -120.884
Base-Backbone interact. energy: -1.089
local terms energy: -143.276754
where:
bonds (distance) C4'-P energy: -29.825
bonds (distance) P-C4' energy: -31.266
flat angles C4'-P-C4' energy: -31.492
flat angles P-C4'-P energy: -22.774
tors. eta vs tors. theta energy: -27.920
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: 6
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -387.496267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.496267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.496267 (E_RNA)
where:
Base-Base interactions energy: -252.039
where: short stacking energy: -123.819
Base-Backbone interact. energy: -0.401
local terms energy: -135.055823
where:
bonds (distance) C4'-P energy: -26.064
bonds (distance) P-C4' energy: -26.499
flat angles C4'-P-C4' energy: -34.605
flat angles P-C4'-P energy: -24.093
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: 6, replica: 7
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -293.799552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.799552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.799552 (E_RNA)
where:
Base-Base interactions energy: -159.392
where: short stacking energy: -109.214
Base-Backbone interact. energy: -0.273
local terms energy: -134.133977
where:
bonds (distance) C4'-P energy: -30.502
bonds (distance) P-C4' energy: -36.486
flat angles C4'-P-C4' energy: -29.340
flat angles P-C4'-P energy: -13.322
tors. eta vs tors. theta energy: -24.484
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: 10
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -179.708510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.708510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.708510 (E_RNA)
where:
Base-Base interactions energy: -75.282
where: short stacking energy: -70.255
Base-Backbone interact. energy: -0.891
local terms energy: -103.535177
where:
bonds (distance) C4'-P energy: -31.031
bonds (distance) P-C4' energy: -28.133
flat angles C4'-P-C4' energy: -26.047
flat angles P-C4'-P energy: -14.733
tors. eta vs tors. theta energy: -3.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -178.840081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.840081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.840081 (E_RNA)
where:
Base-Base interactions energy: -87.870
where: short stacking energy: -66.310
Base-Backbone interact. energy: 4.662
local terms energy: -95.632016
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -31.830
flat angles C4'-P-C4' energy: -22.779
flat angles P-C4'-P energy: -21.321
tors. eta vs tors. theta energy: -3.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -174.970360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.970360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.970360 (E_RNA)
where:
Base-Base interactions energy: -88.189
where: short stacking energy: -66.796
Base-Backbone interact. energy: -0.260
local terms energy: -86.521592
where:
bonds (distance) C4'-P energy: -18.560
bonds (distance) P-C4' energy: -25.628
flat angles C4'-P-C4' energy: -26.793
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -3.100
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: 4
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -175.272870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.272870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.272870 (E_RNA)
where:
Base-Base interactions energy: -73.268
where: short stacking energy: -45.175
Base-Backbone interact. energy: 3.417
local terms energy: -105.421470
where:
bonds (distance) C4'-P energy: -29.635
bonds (distance) P-C4' energy: -32.962
flat angles C4'-P-C4' energy: -20.086
flat angles P-C4'-P energy: -16.990
tors. eta vs tors. theta energy: -5.748
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: 13
Temperature: 0.900000
Total energy: -431.424495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.424495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.424495 (E_RNA)
where:
Base-Base interactions energy: -270.460
where: short stacking energy: -129.871
Base-Backbone interact. energy: -2.533
local terms energy: -158.431594
where:
bonds (distance) C4'-P energy: -32.891
bonds (distance) P-C4' energy: -35.647
flat angles C4'-P-C4' energy: -32.532
flat angles P-C4'-P energy: -23.727
tors. eta vs tors. theta energy: -33.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -420.291014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.291014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.291014 (E_RNA)
where:
Base-Base interactions energy: -263.612
where: short stacking energy: -133.424
Base-Backbone interact. energy: -0.750
local terms energy: -155.929821
where:
bonds (distance) C4'-P energy: -33.468
bonds (distance) P-C4' energy: -30.155
flat angles C4'-P-C4' energy: -33.605
flat angles P-C4'-P energy: -28.238
tors. eta vs tors. theta energy: -30.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -391.189527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.189527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.189527 (E_RNA)
where:
Base-Base interactions energy: -250.773
where: short stacking energy: -134.009
Base-Backbone interact. energy: -2.163
local terms energy: -138.253286
where:
bonds (distance) C4'-P energy: -23.708
bonds (distance) P-C4' energy: -31.259
flat angles C4'-P-C4' energy: -31.696
flat angles P-C4'-P energy: -19.926
tors. eta vs tors. theta energy: -31.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -451.826581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.826581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.826581 (E_RNA)
where:
Base-Base interactions energy: -306.433
where: short stacking energy: -142.940
Base-Backbone interact. energy: -0.149
local terms energy: -145.244227
where:
bonds (distance) C4'-P energy: -22.029
bonds (distance) P-C4' energy: -34.472
flat angles C4'-P-C4' energy: -30.577
flat angles P-C4'-P energy: -21.718
tors. eta vs tors. theta energy: -36.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -346.846475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.846475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.846475 (E_RNA)
where:
Base-Base interactions energy: -216.947
where: short stacking energy: -101.785
Base-Backbone interact. energy: -0.897
local terms energy: -129.001704
where:
bonds (distance) C4'-P energy: -31.008
bonds (distance) P-C4' energy: -29.775
flat angles C4'-P-C4' energy: -28.462
flat angles P-C4'-P energy: -15.783
tors. eta vs tors. theta energy: -23.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -270.321696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.321696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.321696 (E_RNA)
where:
Base-Base interactions energy: -165.412
where: short stacking energy: -84.687
Base-Backbone interact. energy: -0.560
local terms energy: -104.349283
where:
bonds (distance) C4'-P energy: -22.424
bonds (distance) P-C4' energy: -24.809
flat angles C4'-P-C4' energy: -24.790
flat angles P-C4'-P energy: -22.872
tors. eta vs tors. theta energy: -9.454
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: 10
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -271.185519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.185519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.185519 (E_RNA)
where:
Base-Base interactions energy: -158.484
where: short stacking energy: -86.234
Base-Backbone interact. energy: 0.128
local terms energy: -112.829958
where:
bonds (distance) C4'-P energy: -26.050
bonds (distance) P-C4' energy: -31.376
flat angles C4'-P-C4' energy: -28.275
flat angles P-C4'-P energy: -14.948
tors. eta vs tors. theta energy: -12.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -173.496463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.496463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.496463 (E_RNA)
where:
Base-Base interactions energy: -86.068
where: short stacking energy: -70.653
Base-Backbone interact. energy: 1.830
local terms energy: -89.258025
where:
bonds (distance) C4'-P energy: -19.753
bonds (distance) P-C4' energy: -28.950
flat angles C4'-P-C4' energy: -23.107
flat angles P-C4'-P energy: -5.865
tors. eta vs tors. theta energy: -11.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -183.364341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.364341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.364341 (E_RNA)
where:
Base-Base interactions energy: -81.490
where: short stacking energy: -75.626
Base-Backbone interact. energy: 0.518
local terms energy: -102.392901
where:
bonds (distance) C4'-P energy: -24.961
bonds (distance) P-C4' energy: -22.537
flat angles C4'-P-C4' energy: -30.586
flat angles P-C4'-P energy: -14.742
tors. eta vs tors. theta energy: -9.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -158.016177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.016177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.016177 (E_RNA)
where:
Base-Base interactions energy: -66.866
where: short stacking energy: -65.923
Base-Backbone interact. energy: -0.793
local terms energy: -90.356922
where:
bonds (distance) C4'-P energy: -21.378
bonds (distance) P-C4' energy: -27.071
flat angles C4'-P-C4' energy: -20.518
flat angles P-C4'-P energy: -15.239
tors. eta vs tors. theta energy: -6.152
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: 1, replica: 5
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -417.179011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.179011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.179011 (E_RNA)
where:
Base-Base interactions energy: -259.948
where: short stacking energy: -126.899
Base-Backbone interact. energy: -1.081
local terms energy: -156.149424
where:
bonds (distance) C4'-P energy: -36.091
bonds (distance) P-C4' energy: -29.145
flat angles C4'-P-C4' energy: -35.550
flat angles P-C4'-P energy: -26.634
tors. eta vs tors. theta energy: -28.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -434.669014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.669014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.669014 (E_RNA)
where:
Base-Base interactions energy: -288.000
where: short stacking energy: -143.140
Base-Backbone interact. energy: -0.533
local terms energy: -146.136526
where:
bonds (distance) C4'-P energy: -32.619
bonds (distance) P-C4' energy: -34.748
flat angles C4'-P-C4' energy: -27.752
flat angles P-C4'-P energy: -16.969
tors. eta vs tors. theta energy: -34.048
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: 3, replica: 6
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -455.571674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.571674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.571674 (E_RNA)
where:
Base-Base interactions energy: -304.176
where: short stacking energy: -151.189
Base-Backbone interact. energy: 1.679
local terms energy: -153.074568
where:
bonds (distance) C4'-P energy: -31.695
bonds (distance) P-C4' energy: -33.424
flat angles C4'-P-C4' energy: -29.893
flat angles P-C4'-P energy: -16.835
tors. eta vs tors. theta energy: -41.228
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: 2
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -383.687826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.687826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.687826 (E_RNA)
where:
Base-Base interactions energy: -236.205
where: short stacking energy: -123.844
Base-Backbone interact. energy: -0.461
local terms energy: -147.022699
where:
bonds (distance) C4'-P energy: -26.434
bonds (distance) P-C4' energy: -30.047
flat angles C4'-P-C4' energy: -37.648
flat angles P-C4'-P energy: -22.962
tors. eta vs tors. theta energy: -29.933
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: 9
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -341.534175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.534175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.534175 (E_RNA)
where:
Base-Base interactions energy: -211.960
where: short stacking energy: -116.497
Base-Backbone interact. energy: -0.873
local terms energy: -128.701406
where:
bonds (distance) C4'-P energy: -27.206
bonds (distance) P-C4' energy: -28.392
flat angles C4'-P-C4' energy: -28.552
flat angles P-C4'-P energy: -17.265
tors. eta vs tors. theta energy: -27.286
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: 6, replica: 7
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -286.017958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.017958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.017958 (E_RNA)
where:
Base-Base interactions energy: -159.125
where: short stacking energy: -100.313
Base-Backbone interact. energy: -1.277
local terms energy: -125.616615
where:
bonds (distance) C4'-P energy: -22.887
bonds (distance) P-C4' energy: -29.135
flat angles C4'-P-C4' energy: -30.512
flat angles P-C4'-P energy: -22.258
tors. eta vs tors. theta energy: -20.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -300.980766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.980766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.980766 (E_RNA)
where:
Base-Base interactions energy: -186.380
where: short stacking energy: -101.559
Base-Backbone interact. energy: 0.819
local terms energy: -115.419929
where:
bonds (distance) C4'-P energy: -31.522
bonds (distance) P-C4' energy: -19.990
flat angles C4'-P-C4' energy: -24.824
flat angles P-C4'-P energy: -20.032
tors. eta vs tors. theta energy: -19.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -176.689024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.689024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.689024 (E_RNA)
where:
Base-Base interactions energy: -74.200
where: short stacking energy: -56.477
Base-Backbone interact. energy: 0.575
local terms energy: -103.064147
where:
bonds (distance) C4'-P energy: -22.394
bonds (distance) P-C4' energy: -30.010
flat angles C4'-P-C4' energy: -27.860
flat angles P-C4'-P energy: -17.493
tors. eta vs tors. theta energy: -5.308
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: 4
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -182.855015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.855015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.855015 (E_RNA)
where:
Base-Base interactions energy: -69.093
where: short stacking energy: -68.423
Base-Backbone interact. energy: -0.173
local terms energy: -113.588985
where:
bonds (distance) C4'-P energy: -28.313
bonds (distance) P-C4' energy: -31.885
flat angles C4'-P-C4' energy: -26.775
flat angles P-C4'-P energy: -19.997
tors. eta vs tors. theta energy: -6.619
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: 3
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -142.166269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.166269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.166269 (E_RNA)
where:
Base-Base interactions energy: -58.561
where: short stacking energy: -49.330
Base-Backbone interact. energy: 1.782
local terms energy: -85.386897
where:
bonds (distance) C4'-P energy: -23.266
bonds (distance) P-C4' energy: -25.156
flat angles C4'-P-C4' energy: -16.892
flat angles P-C4'-P energy: -23.130
tors. eta vs tors. theta energy: 3.057
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: 1, replica: 5
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -410.093673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.093673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.093673 (E_RNA)
where:
Base-Base interactions energy: -250.792
where: short stacking energy: -143.761
Base-Backbone interact. energy: -0.354
local terms energy: -158.947947
where:
bonds (distance) C4'-P energy: -31.783
bonds (distance) P-C4' energy: -31.104
flat angles C4'-P-C4' energy: -33.183
flat angles P-C4'-P energy: -26.582
tors. eta vs tors. theta energy: -36.296
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: 6
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -502.556838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.556838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.556838 (E_RNA)
where:
Base-Base interactions energy: -345.556
where: short stacking energy: -163.997
Base-Backbone interact. energy: -0.100
local terms energy: -156.900980
where:
bonds (distance) C4'-P energy: -33.825
bonds (distance) P-C4' energy: -25.071
flat angles C4'-P-C4' energy: -29.376
flat angles P-C4'-P energy: -23.626
tors. eta vs tors. theta energy: -45.002
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: 1
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -405.209201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.209201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.209201 (E_RNA)
where:
Base-Base interactions energy: -265.255
where: short stacking energy: -143.246
Base-Backbone interact. energy: 0.187
local terms energy: -140.141570
where:
bonds (distance) C4'-P energy: -27.294
bonds (distance) P-C4' energy: -26.668
flat angles C4'-P-C4' energy: -31.408
flat angles P-C4'-P energy: -18.723
tors. eta vs tors. theta energy: -36.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -352.491173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.491173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.491173 (E_RNA)
where:
Base-Base interactions energy: -214.736
where: short stacking energy: -100.037
Base-Backbone interact. energy: 0.587
local terms energy: -138.341864
where:
bonds (distance) C4'-P energy: -29.319
bonds (distance) P-C4' energy: -33.244
flat angles C4'-P-C4' energy: -27.476
flat angles P-C4'-P energy: -25.056
tors. eta vs tors. theta energy: -23.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -349.662829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.662829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.662829 (E_RNA)
where:
Base-Base interactions energy: -218.516
where: short stacking energy: -100.845
Base-Backbone interact. energy: -1.010
local terms energy: -130.137578
where:
bonds (distance) C4'-P energy: -29.020
bonds (distance) P-C4' energy: -26.429
flat angles C4'-P-C4' energy: -32.140
flat angles P-C4'-P energy: -20.305
tors. eta vs tors. theta energy: -22.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -312.184280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.184280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.184280 (E_RNA)
where:
Base-Base interactions energy: -189.007
where: short stacking energy: -94.446
Base-Backbone interact. energy: -0.475
local terms energy: -122.701902
where:
bonds (distance) C4'-P energy: -30.740
bonds (distance) P-C4' energy: -32.771
flat angles C4'-P-C4' energy: -32.300
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: -15.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -240.986864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.986864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.986864 (E_RNA)
where:
Base-Base interactions energy: -129.334
where: short stacking energy: -60.973
Base-Backbone interact. energy: -0.460
local terms energy: -111.193076
where:
bonds (distance) C4'-P energy: -32.113
bonds (distance) P-C4' energy: -31.263
flat angles C4'-P-C4' energy: -27.883
flat angles P-C4'-P energy: -15.414
tors. eta vs tors. theta energy: -4.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -177.635270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.635270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.635270 (E_RNA)
where:
Base-Base interactions energy: -86.292
where: short stacking energy: -76.901
Base-Backbone interact. energy: -0.237
local terms energy: -91.106559
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -29.287
flat angles C4'-P-C4' energy: -17.746
flat angles P-C4'-P energy: -24.811
tors. eta vs tors. theta energy: -5.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -165.015243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.015243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.015243 (E_RNA)
where:
Base-Base interactions energy: -58.177
where: short stacking energy: -49.763
Base-Backbone interact. energy: 0.679
local terms energy: -107.517413
where:
bonds (distance) C4'-P energy: -29.142
bonds (distance) P-C4' energy: -30.312
flat angles C4'-P-C4' energy: -28.471
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: -7.295
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: 3
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -184.677658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.677658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.677658 (E_RNA)
where:
Base-Base interactions energy: -73.709
where: short stacking energy: -57.863
Base-Backbone interact. energy: -0.370
local terms energy: -110.598972
where:
bonds (distance) C4'-P energy: -23.302
bonds (distance) P-C4' energy: -32.912
flat angles C4'-P-C4' energy: -28.112
flat angles P-C4'-P energy: -21.836
tors. eta vs tors. theta energy: -4.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -516.914323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.914323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.914323 (E_RNA)
where:
Base-Base interactions energy: -350.493
where: short stacking energy: -167.165
Base-Backbone interact. energy: -0.350
local terms energy: -166.070947
where:
bonds (distance) C4'-P energy: -33.854
bonds (distance) P-C4' energy: -30.415
flat angles C4'-P-C4' energy: -33.578
flat angles P-C4'-P energy: -27.581
tors. eta vs tors. theta energy: -40.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -380.114023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.114023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.114023 (E_RNA)
where:
Base-Base interactions energy: -235.320
where: short stacking energy: -124.769
Base-Backbone interact. energy: 0.283
local terms energy: -145.077561
where:
bonds (distance) C4'-P energy: -27.845
bonds (distance) P-C4' energy: -31.646
flat angles C4'-P-C4' energy: -31.841
flat angles P-C4'-P energy: -24.347
tors. eta vs tors. theta energy: -29.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -428.871226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.871226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.871226 (E_RNA)
where:
Base-Base interactions energy: -271.631
where: short stacking energy: -143.508
Base-Backbone interact. energy: 0.122
local terms energy: -157.362383
where:
bonds (distance) C4'-P energy: -27.754
bonds (distance) P-C4' energy: -27.434
flat angles C4'-P-C4' energy: -36.026
flat angles P-C4'-P energy: -25.725
tors. eta vs tors. theta energy: -40.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -356.664644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.664644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.664644 (E_RNA)
where:
Base-Base interactions energy: -210.969
where: short stacking energy: -121.434
Base-Backbone interact. energy: -0.789
local terms energy: -144.905952
where:
bonds (distance) C4'-P energy: -31.787
bonds (distance) P-C4' energy: -30.536
flat angles C4'-P-C4' energy: -33.114
flat angles P-C4'-P energy: -17.735
tors. eta vs tors. theta energy: -31.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -393.416723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.416723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.416723 (E_RNA)
where:
Base-Base interactions energy: -248.128
where: short stacking energy: -114.970
Base-Backbone interact. energy: -0.437
local terms energy: -144.851871
where:
bonds (distance) C4'-P energy: -27.247
bonds (distance) P-C4' energy: -29.256
flat angles C4'-P-C4' energy: -29.843
flat angles P-C4'-P energy: -26.541
tors. eta vs tors. theta energy: -31.964
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: 10
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -347.842767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.842767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.842767 (E_RNA)
where:
Base-Base interactions energy: -225.570
where: short stacking energy: -94.421
Base-Backbone interact. energy: -0.349
local terms energy: -121.923954
where:
bonds (distance) C4'-P energy: -26.094
bonds (distance) P-C4' energy: -30.380
flat angles C4'-P-C4' energy: -27.896
flat angles P-C4'-P energy: -22.260
tors. eta vs tors. theta energy: -15.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -261.033145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.033145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.033145 (E_RNA)
where:
Base-Base interactions energy: -150.088
where: short stacking energy: -85.258
Base-Backbone interact. energy: -0.164
local terms energy: -110.781339
where:
bonds (distance) C4'-P energy: -29.556
bonds (distance) P-C4' energy: -28.938
flat angles C4'-P-C4' energy: -22.092
flat angles P-C4'-P energy: -15.334
tors. eta vs tors. theta energy: -14.861
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: 16
Temperature: 1.250000
Total energy: -152.875413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.875413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.875413 (E_RNA)
where:
Base-Base interactions energy: -56.049
where: short stacking energy: -49.588
Base-Backbone interact. energy: -1.088
local terms energy: -95.738790
where:
bonds (distance) C4'-P energy: -16.722
bonds (distance) P-C4' energy: -33.042
flat angles C4'-P-C4' energy: -25.339
flat angles P-C4'-P energy: -19.868
tors. eta vs tors. theta energy: -0.767
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: 3
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -160.757726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.757726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.757726 (E_RNA)
where:
Base-Base interactions energy: -69.613
where: short stacking energy: -37.389
Base-Backbone interact. energy: 1.063
local terms energy: -92.207800
where:
bonds (distance) C4'-P energy: -26.921
bonds (distance) P-C4' energy: -27.341
flat angles C4'-P-C4' energy: -24.165
flat angles P-C4'-P energy: -12.491
tors. eta vs tors. theta energy: -1.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -176.877621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.877621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.877621 (E_RNA)
where:
Base-Base interactions energy: -77.236
where: short stacking energy: -49.319
Base-Backbone interact. energy: -0.110
local terms energy: -99.531457
where:
bonds (distance) C4'-P energy: -28.029
bonds (distance) P-C4' energy: -34.939
flat angles C4'-P-C4' energy: -21.804
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -4.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -519.273630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.273630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.273630 (E_RNA)
where:
Base-Base interactions energy: -355.397
where: short stacking energy: -155.706
Base-Backbone interact. energy: -0.512
local terms energy: -163.365014
where:
bonds (distance) C4'-P energy: -31.242
bonds (distance) P-C4' energy: -32.119
flat angles C4'-P-C4' energy: -34.989
flat angles P-C4'-P energy: -21.719
tors. eta vs tors. theta energy: -43.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -405.994227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.994227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.994227 (E_RNA)
where:
Base-Base interactions energy: -260.515
where: short stacking energy: -130.830
Base-Backbone interact. energy: -0.731
local terms energy: -144.748452
where:
bonds (distance) C4'-P energy: -33.369
bonds (distance) P-C4' energy: -26.412
flat angles C4'-P-C4' energy: -34.077
flat angles P-C4'-P energy: -17.894
tors. eta vs tors. theta energy: -32.996
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: 1
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -386.388894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.388894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.388894 (E_RNA)
where:
Base-Base interactions energy: -239.241
where: short stacking energy: -120.294
Base-Backbone interact. energy: -0.207
local terms energy: -146.940830
where:
bonds (distance) C4'-P energy: -30.938
bonds (distance) P-C4' energy: -30.385
flat angles C4'-P-C4' energy: -33.918
flat angles P-C4'-P energy: -16.446
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: 4, replica: 9
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -350.446037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.446037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.446037 (E_RNA)
where:
Base-Base interactions energy: -217.968
where: short stacking energy: -105.035
Base-Backbone interact. energy: -0.148
local terms energy: -132.329775
where:
bonds (distance) C4'-P energy: -25.418
bonds (distance) P-C4' energy: -30.345
flat angles C4'-P-C4' energy: -27.650
flat angles P-C4'-P energy: -20.291
tors. eta vs tors. theta energy: -28.626
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: 5, replica: 2
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -347.459268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.459268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.459268 (E_RNA)
where:
Base-Base interactions energy: -218.991
where: short stacking energy: -103.126
Base-Backbone interact. energy: -1.094
local terms energy: -127.374101
where:
bonds (distance) C4'-P energy: -30.409
bonds (distance) P-C4' energy: -33.861
flat angles C4'-P-C4' energy: -26.030
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -25.018
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: 6, replica: 10
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -388.438834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.438834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.438834 (E_RNA)
where:
Base-Base interactions energy: -260.468
where: short stacking energy: -125.916
Base-Backbone interact. energy: 3.414
local terms energy: -131.384440
where:
bonds (distance) C4'-P energy: -24.156
bonds (distance) P-C4' energy: -26.054
flat angles C4'-P-C4' energy: -31.253
flat angles P-C4'-P energy: -19.129
tors. eta vs tors. theta energy: -30.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -243.727649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.727649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.727649 (E_RNA)
where:
Base-Base interactions energy: -136.468
where: short stacking energy: -74.854
Base-Backbone interact. energy: 1.463
local terms energy: -108.723211
where:
bonds (distance) C4'-P energy: -25.085
bonds (distance) P-C4' energy: -29.201
flat angles C4'-P-C4' energy: -27.117
flat angles P-C4'-P energy: -14.303
tors. eta vs tors. theta energy: -13.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -177.907627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.907627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.907627 (E_RNA)
where:
Base-Base interactions energy: -61.855
where: short stacking energy: -58.189
Base-Backbone interact. energy: -0.338
local terms energy: -115.714631
where:
bonds (distance) C4'-P energy: -31.023
bonds (distance) P-C4' energy: -30.611
flat angles C4'-P-C4' energy: -26.482
flat angles P-C4'-P energy: -22.777
tors. eta vs tors. theta energy: -4.822
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: 9, replica: 3
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -163.430701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.430701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.430701 (E_RNA)
where:
Base-Base interactions energy: -51.349
where: short stacking energy: -49.034
Base-Backbone interact. energy: 2.737
local terms energy: -114.819642
where:
bonds (distance) C4'-P energy: -31.262
bonds (distance) P-C4' energy: -31.684
flat angles C4'-P-C4' energy: -23.143
flat angles P-C4'-P energy: -25.399
tors. eta vs tors. theta energy: -3.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -154.883887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.883887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.883887 (E_RNA)
where:
Base-Base interactions energy: -56.158
where: short stacking energy: -45.769
Base-Backbone interact. energy: -0.558
local terms energy: -98.167617
where:
bonds (distance) C4'-P energy: -23.150
bonds (distance) P-C4' energy: -37.477
flat angles C4'-P-C4' energy: -24.551
flat angles P-C4'-P energy: -18.382
tors. eta vs tors. theta energy: 5.393
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: 6
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -510.333442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.333442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.333442 (E_RNA)
where:
Base-Base interactions energy: -356.069
where: short stacking energy: -155.914
Base-Backbone interact. energy: -0.155
local terms energy: -154.109914
where:
bonds (distance) C4'-P energy: -24.450
bonds (distance) P-C4' energy: -31.496
flat angles C4'-P-C4' energy: -31.962
flat angles P-C4'-P energy: -24.332
tors. eta vs tors. theta energy: -41.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -410.348487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.348487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.348487 (E_RNA)
where:
Base-Base interactions energy: -264.491
where: short stacking energy: -125.083
Base-Backbone interact. energy: 2.513
local terms energy: -148.371119
where:
bonds (distance) C4'-P energy: -34.409
bonds (distance) P-C4' energy: -31.347
flat angles C4'-P-C4' energy: -29.202
flat angles P-C4'-P energy: -23.155
tors. eta vs tors. theta energy: -30.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -410.151613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.151613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.151613 (E_RNA)
where:
Base-Base interactions energy: -254.732
where: short stacking energy: -145.153
Base-Backbone interact. energy: -0.682
local terms energy: -154.737341
where:
bonds (distance) C4'-P energy: -28.980
bonds (distance) P-C4' energy: -30.985
flat angles C4'-P-C4' energy: -35.117
flat angles P-C4'-P energy: -18.120
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: 4, replica: 9
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -364.617949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.617949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.617949 (E_RNA)
where:
Base-Base interactions energy: -225.404
where: short stacking energy: -117.140
Base-Backbone interact. energy: -0.154
local terms energy: -139.059925
where:
bonds (distance) C4'-P energy: -27.705
bonds (distance) P-C4' energy: -32.180
flat angles C4'-P-C4' energy: -28.136
flat angles P-C4'-P energy: -18.129
tors. eta vs tors. theta energy: -32.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -373.146848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.146848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.146848 (E_RNA)
where:
Base-Base interactions energy: -249.320
where: short stacking energy: -112.439
Base-Backbone interact. energy: -0.426
local terms energy: -123.401664
where:
bonds (distance) C4'-P energy: -24.893
bonds (distance) P-C4' energy: -31.650
flat angles C4'-P-C4' energy: -26.465
flat angles P-C4'-P energy: -21.390
tors. eta vs tors. theta energy: -19.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -298.385246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.385246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.385246 (E_RNA)
where:
Base-Base interactions energy: -166.198
where: short stacking energy: -99.388
Base-Backbone interact. energy: -1.538
local terms energy: -130.648728
where:
bonds (distance) C4'-P energy: -30.644
bonds (distance) P-C4' energy: -32.213
flat angles C4'-P-C4' energy: -35.580
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -22.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -255.623890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.623890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.623890 (E_RNA)
where:
Base-Base interactions energy: -133.243
where: short stacking energy: -88.698
Base-Backbone interact. energy: -0.243
local terms energy: -122.137738
where:
bonds (distance) C4'-P energy: -26.963
bonds (distance) P-C4' energy: -33.210
flat angles C4'-P-C4' energy: -22.920
flat angles P-C4'-P energy: -19.766
tors. eta vs tors. theta energy: -19.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -218.042952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.042952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.042952 (E_RNA)
where:
Base-Base interactions energy: -99.617
where: short stacking energy: -56.283
Base-Backbone interact. energy: -2.063
local terms energy: -116.362636
where:
bonds (distance) C4'-P energy: -31.237
bonds (distance) P-C4' energy: -22.521
flat angles C4'-P-C4' energy: -34.472
flat angles P-C4'-P energy: -19.896
tors. eta vs tors. theta energy: -8.237
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: 9, replica: 8
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -205.991055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.991055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.991055 (E_RNA)
where:
Base-Base interactions energy: -104.612
where: short stacking energy: -59.815
Base-Backbone interact. energy: -0.618
local terms energy: -100.761861
where:
bonds (distance) C4'-P energy: -23.228
bonds (distance) P-C4' energy: -31.776
flat angles C4'-P-C4' energy: -25.565
flat angles P-C4'-P energy: -12.784
tors. eta vs tors. theta energy: -7.408
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: 3
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -144.257011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.257011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.257011 (E_RNA)
where:
Base-Base interactions energy: -61.655
where: short stacking energy: -56.594
Base-Backbone interact. energy: -0.632
local terms energy: -81.970399
where:
bonds (distance) C4'-P energy: -28.219
bonds (distance) P-C4' energy: -27.961
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -14.762
tors. eta vs tors. theta energy: 5.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -522.032527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.032527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.032527 (E_RNA)
where:
Base-Base interactions energy: -357.057
where: short stacking energy: -155.344
Base-Backbone interact. energy: -0.555
local terms energy: -164.421104
where:
bonds (distance) C4'-P energy: -27.662
bonds (distance) P-C4' energy: -30.081
flat angles C4'-P-C4' energy: -38.161
flat angles P-C4'-P energy: -23.277
tors. eta vs tors. theta energy: -45.239
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: 2, replica: 1
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -407.157542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.157542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.157542 (E_RNA)
where:
Base-Base interactions energy: -247.329
where: short stacking energy: -146.188
Base-Backbone interact. energy: -0.122
local terms energy: -159.706567
where:
bonds (distance) C4'-P energy: -35.402
bonds (distance) P-C4' energy: -30.552
flat angles C4'-P-C4' energy: -35.729
flat angles P-C4'-P energy: -22.296
tors. eta vs tors. theta energy: -35.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -399.072577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.072577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.072577 (E_RNA)
where:
Base-Base interactions energy: -255.267
where: short stacking energy: -113.475
Base-Backbone interact. energy: 0.193
local terms energy: -143.997793
where:
bonds (distance) C4'-P energy: -31.369
bonds (distance) P-C4' energy: -33.027
flat angles C4'-P-C4' energy: -27.669
flat angles P-C4'-P energy: -20.848
tors. eta vs tors. theta energy: -31.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -390.190939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.190939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.190939 (E_RNA)
where:
Base-Base interactions energy: -260.783
where: short stacking energy: -123.105
Base-Backbone interact. energy: -0.277
local terms energy: -129.130779
where:
bonds (distance) C4'-P energy: -27.664
bonds (distance) P-C4' energy: -30.138
flat angles C4'-P-C4' energy: -35.391
flat angles P-C4'-P energy: -13.218
tors. eta vs tors. theta energy: -22.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -346.167534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.167534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.167534 (E_RNA)
where:
Base-Base interactions energy: -214.775
where: short stacking energy: -101.935
Base-Backbone interact. energy: -0.922
local terms energy: -130.471084
where:
bonds (distance) C4'-P energy: -30.451
bonds (distance) P-C4' energy: -23.299
flat angles C4'-P-C4' energy: -33.260
flat angles P-C4'-P energy: -18.206
tors. eta vs tors. theta energy: -25.255
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: 2
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -340.818945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.818945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.818945 (E_RNA)
where:
Base-Base interactions energy: -208.149
where: short stacking energy: -104.649
Base-Backbone interact. energy: 0.190
local terms energy: -132.860836
where:
bonds (distance) C4'-P energy: -20.970
bonds (distance) P-C4' energy: -33.967
flat angles C4'-P-C4' energy: -29.657
flat angles P-C4'-P energy: -19.024
tors. eta vs tors. theta energy: -29.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -255.516615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.516615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.516615 (E_RNA)
where:
Base-Base interactions energy: -134.783
where: short stacking energy: -79.661
Base-Backbone interact. energy: -1.217
local terms energy: -119.516754
where:
bonds (distance) C4'-P energy: -30.105
bonds (distance) P-C4' energy: -34.506
flat angles C4'-P-C4' energy: -26.247
flat angles P-C4'-P energy: -14.787
tors. eta vs tors. theta energy: -13.871
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: 4
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -192.129064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.129064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.129064 (E_RNA)
where:
Base-Base interactions energy: -95.673
where: short stacking energy: -63.575
Base-Backbone interact. energy: -0.736
local terms energy: -95.719579
where:
bonds (distance) C4'-P energy: -25.601
bonds (distance) P-C4' energy: -31.902
flat angles C4'-P-C4' energy: -22.370
flat angles P-C4'-P energy: -13.516
tors. eta vs tors. theta energy: -2.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -195.033568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.033568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.033568 (E_RNA)
where:
Base-Base interactions energy: -84.376
where: short stacking energy: -49.072
Base-Backbone interact. energy: -0.963
local terms energy: -109.694788
where:
bonds (distance) C4'-P energy: -39.604
bonds (distance) P-C4' energy: -30.419
flat angles C4'-P-C4' energy: -24.299
flat angles P-C4'-P energy: -15.670
tors. eta vs tors. theta energy: 0.297
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: 3
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -149.018802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.018802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.018802 (E_RNA)
where:
Base-Base interactions energy: -57.434
where: short stacking energy: -49.769
Base-Backbone interact. energy: -0.564
local terms energy: -91.020547
where:
bonds (distance) C4'-P energy: -24.189
bonds (distance) P-C4' energy: -32.477
flat angles C4'-P-C4' energy: -22.719
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: 0.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -509.905812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.905812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.905812 (E_RNA)
where:
Base-Base interactions energy: -339.258
where: short stacking energy: -158.138
Base-Backbone interact. energy: -0.520
local terms energy: -170.128333
where:
bonds (distance) C4'-P energy: -34.012
bonds (distance) P-C4' energy: -29.174
flat angles C4'-P-C4' energy: -34.727
flat angles P-C4'-P energy: -24.802
tors. eta vs tors. theta energy: -47.413
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: 1
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -417.482796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.482796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.482796 (E_RNA)
where:
Base-Base interactions energy: -265.972
where: short stacking energy: -153.758
Base-Backbone interact. energy: -0.490
local terms energy: -151.020413
where:
bonds (distance) C4'-P energy: -26.680
bonds (distance) P-C4' energy: -29.525
flat angles C4'-P-C4' energy: -34.574
flat angles P-C4'-P energy: -24.920
tors. eta vs tors. theta energy: -35.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -366.586532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.586532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.586532 (E_RNA)
where:
Base-Base interactions energy: -233.733
where: short stacking energy: -106.251
Base-Backbone interact. energy: 0.882
local terms energy: -133.735703
where:
bonds (distance) C4'-P energy: -27.288
bonds (distance) P-C4' energy: -34.677
flat angles C4'-P-C4' energy: -30.496
flat angles P-C4'-P energy: -17.157
tors. eta vs tors. theta energy: -24.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -367.249342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.249342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.249342 (E_RNA)
where:
Base-Base interactions energy: -244.197
where: short stacking energy: -112.566
Base-Backbone interact. energy: -0.378
local terms energy: -122.674687
where:
bonds (distance) C4'-P energy: -17.964
bonds (distance) P-C4' energy: -26.323
flat angles C4'-P-C4' energy: -30.759
flat angles P-C4'-P energy: -29.462
tors. eta vs tors. theta energy: -18.167
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: 20
Temperature: 1.100000
Total energy: -381.194531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.194531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.194531 (E_RNA)
where:
Base-Base interactions energy: -241.629
where: short stacking energy: -110.669
Base-Backbone interact. energy: -0.415
local terms energy: -139.150672
where:
bonds (distance) C4'-P energy: -32.304
bonds (distance) P-C4' energy: -33.599
flat angles C4'-P-C4' energy: -26.799
flat angles P-C4'-P energy: -17.767
tors. eta vs tors. theta energy: -28.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -353.438180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.438180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.438180 (E_RNA)
where:
Base-Base interactions energy: -212.011
where: short stacking energy: -117.802
Base-Backbone interact. energy: -2.119
local terms energy: -139.307629
where:
bonds (distance) C4'-P energy: -33.542
bonds (distance) P-C4' energy: -31.401
flat angles C4'-P-C4' energy: -28.805
flat angles P-C4'-P energy: -12.628
tors. eta vs tors. theta energy: -32.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -263.606206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.606206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.606206 (E_RNA)
where:
Base-Base interactions energy: -150.449
where: short stacking energy: -71.828
Base-Backbone interact. energy: -0.903
local terms energy: -112.254008
where:
bonds (distance) C4'-P energy: -30.127
bonds (distance) P-C4' energy: -34.354
flat angles C4'-P-C4' energy: -26.181
flat angles P-C4'-P energy: -16.075
tors. eta vs tors. theta energy: -5.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -177.771286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.771286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.771286 (E_RNA)
where:
Base-Base interactions energy: -71.691
where: short stacking energy: -41.823
Base-Backbone interact. energy: 0.708
local terms energy: -106.788641
where:
bonds (distance) C4'-P energy: -26.255
bonds (distance) P-C4' energy: -37.297
flat angles C4'-P-C4' energy: -24.538
flat angles P-C4'-P energy: -14.166
tors. eta vs tors. theta energy: -4.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -201.236279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.236279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.236279 (E_RNA)
where:
Base-Base interactions energy: -107.841
where: short stacking energy: -60.663
Base-Backbone interact. energy: 0.293
local terms energy: -93.688505
where:
bonds (distance) C4'-P energy: -20.424
bonds (distance) P-C4' energy: -27.396
flat angles C4'-P-C4' energy: -27.817
flat angles P-C4'-P energy: -6.215
tors. eta vs tors. theta energy: -11.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -154.684236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.684236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.684236 (E_RNA)
where:
Base-Base interactions energy: -55.408
where: short stacking energy: -53.018
Base-Backbone interact. energy: -0.346
local terms energy: -98.931103
where:
bonds (distance) C4'-P energy: -28.845
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -28.881
flat angles P-C4'-P energy: -21.712
tors. eta vs tors. theta energy: -5.573
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: 1, replica: 6
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -518.524627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.524627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.524627 (E_RNA)
where:
Base-Base interactions energy: -354.300
where: short stacking energy: -164.484
Base-Backbone interact. energy: -0.827
local terms energy: -163.398346
where:
bonds (distance) C4'-P energy: -31.967
bonds (distance) P-C4' energy: -30.667
flat angles C4'-P-C4' energy: -34.032
flat angles P-C4'-P energy: -21.208
tors. eta vs tors. theta energy: -45.525
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: 1
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -409.087354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.087354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.087354 (E_RNA)
where:
Base-Base interactions energy: -254.972
where: short stacking energy: -140.247
Base-Backbone interact. energy: -0.887
local terms energy: -153.228487
where:
bonds (distance) C4'-P energy: -24.799
bonds (distance) P-C4' energy: -33.815
flat angles C4'-P-C4' energy: -32.832
flat angles P-C4'-P energy: -21.513
tors. eta vs tors. theta energy: -40.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -381.881536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.881536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.881536 (E_RNA)
where:
Base-Base interactions energy: -243.171
where: short stacking energy: -102.105
Base-Backbone interact. energy: -1.436
local terms energy: -137.274538
where:
bonds (distance) C4'-P energy: -35.544
bonds (distance) P-C4' energy: -27.150
flat angles C4'-P-C4' energy: -32.083
flat angles P-C4'-P energy: -18.398
tors. eta vs tors. theta energy: -24.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -365.782881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.782881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.782881 (E_RNA)
where:
Base-Base interactions energy: -224.557
where: short stacking energy: -109.400
Base-Backbone interact. energy: -0.592
local terms energy: -140.633599
where:
bonds (distance) C4'-P energy: -28.805
bonds (distance) P-C4' energy: -38.099
flat angles C4'-P-C4' energy: -32.688
flat angles P-C4'-P energy: -18.655
tors. eta vs tors. theta energy: -22.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -410.757633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.757633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.757633 (E_RNA)
where:
Base-Base interactions energy: -275.153
where: short stacking energy: -142.543
Base-Backbone interact. energy: -0.007
local terms energy: -135.597528
where:
bonds (distance) C4'-P energy: -18.201
bonds (distance) P-C4' energy: -23.614
flat angles C4'-P-C4' energy: -30.862
flat angles P-C4'-P energy: -20.905
tors. eta vs tors. theta energy: -42.016
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: 6, replica: 9
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -309.829625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.829625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.829625 (E_RNA)
where:
Base-Base interactions energy: -193.414
where: short stacking energy: -99.982
Base-Backbone interact. energy: -1.142
local terms energy: -115.273461
where:
bonds (distance) C4'-P energy: -21.190
bonds (distance) P-C4' energy: -28.875
flat angles C4'-P-C4' energy: -26.114
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -27.549
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: 7
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -268.115223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.115223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.115223 (E_RNA)
where:
Base-Base interactions energy: -160.468
where: short stacking energy: -91.725
Base-Backbone interact. energy: -0.786
local terms energy: -106.860864
where:
bonds (distance) C4'-P energy: -26.990
bonds (distance) P-C4' energy: -23.956
flat angles C4'-P-C4' energy: -24.842
flat angles P-C4'-P energy: -15.670
tors. eta vs tors. theta energy: -15.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -258.403300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.403300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.403300 (E_RNA)
where:
Base-Base interactions energy: -152.938
where: short stacking energy: -74.518
Base-Backbone interact. energy: 0.213
local terms energy: -105.678644
where:
bonds (distance) C4'-P energy: -31.091
bonds (distance) P-C4' energy: -30.562
flat angles C4'-P-C4' energy: -22.468
flat angles P-C4'-P energy: -18.740
tors. eta vs tors. theta energy: -2.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -156.006906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.006906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.006906 (E_RNA)
where:
Base-Base interactions energy: -58.266
where: short stacking energy: -54.994
Base-Backbone interact. energy: -0.169
local terms energy: -97.572049
where:
bonds (distance) C4'-P energy: -24.508
bonds (distance) P-C4' energy: -26.831
flat angles C4'-P-C4' energy: -31.136
flat angles P-C4'-P energy: -14.120
tors. eta vs tors. theta energy: -0.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -152.590575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.590575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.590575 (E_RNA)
where:
Base-Base interactions energy: -64.051
where: short stacking energy: -60.484
Base-Backbone interact. energy: 4.849
local terms energy: -93.388334
where:
bonds (distance) C4'-P energy: -28.257
bonds (distance) P-C4' energy: -24.292
flat angles C4'-P-C4' energy: -20.614
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: -8.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -521.571072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.571072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.571072 (E_RNA)
where:
Base-Base interactions energy: -360.967
where: short stacking energy: -161.821
Base-Backbone interact. energy: -0.567
local terms energy: -160.037205
where:
bonds (distance) C4'-P energy: -31.116
bonds (distance) P-C4' energy: -30.676
flat angles C4'-P-C4' energy: -31.244
flat angles P-C4'-P energy: -22.547
tors. eta vs tors. theta energy: -44.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -414.684205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.684205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.684205 (E_RNA)
where:
Base-Base interactions energy: -257.980
where: short stacking energy: -130.107
Base-Backbone interact. energy: -0.667
local terms energy: -156.037573
where:
bonds (distance) C4'-P energy: -32.073
bonds (distance) P-C4' energy: -28.685
flat angles C4'-P-C4' energy: -36.887
flat angles P-C4'-P energy: -26.456
tors. eta vs tors. theta energy: -31.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -404.017858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.017858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.017858 (E_RNA)
where:
Base-Base interactions energy: -251.081
where: short stacking energy: -126.314
Base-Backbone interact. energy: 0.333
local terms energy: -153.269177
where:
bonds (distance) C4'-P energy: -29.967
bonds (distance) P-C4' energy: -36.068
flat angles C4'-P-C4' energy: -37.226
flat angles P-C4'-P energy: -19.586
tors. eta vs tors. theta energy: -30.422
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: 5
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -374.766289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.766289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.766289 (E_RNA)
where:
Base-Base interactions energy: -247.400
where: short stacking energy: -106.643
Base-Backbone interact. energy: -1.646
local terms energy: -125.720521
where:
bonds (distance) C4'-P energy: -31.787
bonds (distance) P-C4' energy: -23.896
flat angles C4'-P-C4' energy: -25.562
flat angles P-C4'-P energy: -18.161
tors. eta vs tors. theta energy: -26.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -411.494719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.494719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.494719 (E_RNA)
where:
Base-Base interactions energy: -268.461
where: short stacking energy: -133.230
Base-Backbone interact. energy: -0.189
local terms energy: -142.844514
where:
bonds (distance) C4'-P energy: -30.229
bonds (distance) P-C4' energy: -29.298
flat angles C4'-P-C4' energy: -32.125
flat angles P-C4'-P energy: -13.975
tors. eta vs tors. theta energy: -37.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -288.779571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.779571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.779571 (E_RNA)
where:
Base-Base interactions energy: -169.033
where: short stacking energy: -91.998
Base-Backbone interact. energy: 0.023
local terms energy: -119.769732
where:
bonds (distance) C4'-P energy: -32.177
bonds (distance) P-C4' energy: -24.574
flat angles C4'-P-C4' energy: -29.999
flat angles P-C4'-P energy: -17.786
tors. eta vs tors. theta energy: -15.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -262.790530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.790530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.790530 (E_RNA)
where:
Base-Base interactions energy: -162.845
where: short stacking energy: -88.314
Base-Backbone interact. energy: -0.838
local terms energy: -99.107225
where:
bonds (distance) C4'-P energy: -27.323
bonds (distance) P-C4' energy: -23.613
flat angles C4'-P-C4' energy: -28.399
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: -7.235
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: 7
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -246.070328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.070328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.070328 (E_RNA)
where:
Base-Base interactions energy: -132.005
where: short stacking energy: -80.575
Base-Backbone interact. energy: -0.200
local terms energy: -113.865400
where:
bonds (distance) C4'-P energy: -29.416
bonds (distance) P-C4' energy: -28.971
flat angles C4'-P-C4' energy: -29.912
flat angles P-C4'-P energy: -15.354
tors. eta vs tors. theta energy: -10.213
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: 9, replica: 3
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -148.597540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.597540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.597540 (E_RNA)
where:
Base-Base interactions energy: -59.596
where: short stacking energy: -56.909
Base-Backbone interact. energy: -0.177
local terms energy: -88.824799
where:
bonds (distance) C4'-P energy: -22.381
bonds (distance) P-C4' energy: -26.947
flat angles C4'-P-C4' energy: -27.289
flat angles P-C4'-P energy: -14.671
tors. eta vs tors. theta energy: 2.462
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: 10, replica: 4
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -144.974969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.974969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.974969 (E_RNA)
where:
Base-Base interactions energy: -65.751
where: short stacking energy: -38.808
Base-Backbone interact. energy: -0.327
local terms energy: -78.897215
where:
bonds (distance) C4'-P energy: -24.769
bonds (distance) P-C4' energy: -30.407
flat angles C4'-P-C4' energy: -20.617
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: 6.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -512.292393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.292393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.292393 (E_RNA)
where:
Base-Base interactions energy: -341.379
where: short stacking energy: -153.137
Base-Backbone interact. energy: -0.813
local terms energy: -170.100327
where:
bonds (distance) C4'-P energy: -34.267
bonds (distance) P-C4' energy: -37.885
flat angles C4'-P-C4' energy: -30.385
flat angles P-C4'-P energy: -23.618
tors. eta vs tors. theta energy: -43.946
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: 1
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -399.030619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.030619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.030619 (E_RNA)
where:
Base-Base interactions energy: -251.744
where: short stacking energy: -143.897
Base-Backbone interact. energy: -1.609
local terms energy: -145.677986
where:
bonds (distance) C4'-P energy: -28.048
bonds (distance) P-C4' energy: -26.747
flat angles C4'-P-C4' energy: -33.584
flat angles P-C4'-P energy: -18.377
tors. eta vs tors. theta energy: -38.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -429.622528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.622528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.622528 (E_RNA)
where:
Base-Base interactions energy: -277.664
where: short stacking energy: -131.449
Base-Backbone interact. energy: -0.416
local terms energy: -151.542025
where:
bonds (distance) C4'-P energy: -32.048
bonds (distance) P-C4' energy: -36.322
flat angles C4'-P-C4' energy: -32.167
flat angles P-C4'-P energy: -19.589
tors. eta vs tors. theta energy: -31.415
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: 4, replica: 2
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -417.549268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.549268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.549268 (E_RNA)
where:
Base-Base interactions energy: -261.684
where: short stacking energy: -121.430
Base-Backbone interact. energy: -0.579
local terms energy: -155.286476
where:
bonds (distance) C4'-P energy: -26.975
bonds (distance) P-C4' energy: -35.281
flat angles C4'-P-C4' energy: -30.048
flat angles P-C4'-P energy: -28.364
tors. eta vs tors. theta energy: -34.618
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: 5
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -322.185976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.185976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.185976 (E_RNA)
where:
Base-Base interactions energy: -198.459
where: short stacking energy: -101.566
Base-Backbone interact. energy: 1.426
local terms energy: -125.152734
where:
bonds (distance) C4'-P energy: -25.900
bonds (distance) P-C4' energy: -23.248
flat angles C4'-P-C4' energy: -33.853
flat angles P-C4'-P energy: -26.265
tors. eta vs tors. theta energy: -15.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -265.962452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.962452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.962452 (E_RNA)
where:
Base-Base interactions energy: -148.366
where: short stacking energy: -89.671
Base-Backbone interact. energy: -0.813
local terms energy: -116.783748
where:
bonds (distance) C4'-P energy: -26.504
bonds (distance) P-C4' energy: -30.837
flat angles C4'-P-C4' energy: -25.597
flat angles P-C4'-P energy: -21.929
tors. eta vs tors. theta energy: -11.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -247.347502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.347502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.347502 (E_RNA)
where:
Base-Base interactions energy: -127.224
where: short stacking energy: -77.443
Base-Backbone interact. energy: -0.411
local terms energy: -119.712168
where:
bonds (distance) C4'-P energy: -27.608
bonds (distance) P-C4' energy: -33.792
flat angles C4'-P-C4' energy: -25.785
flat angles P-C4'-P energy: -16.956
tors. eta vs tors. theta energy: -15.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -308.095162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.095162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.095162 (E_RNA)
where:
Base-Base interactions energy: -181.162
where: short stacking energy: -75.180
Base-Backbone interact. energy: -0.969
local terms energy: -125.963394
where:
bonds (distance) C4'-P energy: -29.097
bonds (distance) P-C4' energy: -32.013
flat angles C4'-P-C4' energy: -33.042
flat angles P-C4'-P energy: -13.894
tors. eta vs tors. theta energy: -17.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -167.875501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.875501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.875501 (E_RNA)
where:
Base-Base interactions energy: -77.179
where: short stacking energy: -51.958
Base-Backbone interact. energy: -1.422
local terms energy: -89.274747
where:
bonds (distance) C4'-P energy: -30.636
bonds (distance) P-C4' energy: -28.202
flat angles C4'-P-C4' energy: -22.109
flat angles P-C4'-P energy: -12.505
tors. eta vs tors. theta energy: 4.177
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: 4
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -142.619887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.619887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.619887 (E_RNA)
where:
Base-Base interactions energy: -58.929
where: short stacking energy: -57.603
Base-Backbone interact. energy: 3.772
local terms energy: -87.462375
where:
bonds (distance) C4'-P energy: -29.006
bonds (distance) P-C4' energy: -33.394
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -17.017
tors. eta vs tors. theta energy: 5.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -515.370977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.370977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.370977 (E_RNA)
where:
Base-Base interactions energy: -343.719
where: short stacking energy: -158.867
Base-Backbone interact. energy: 0.041
local terms energy: -171.693185
where:
bonds (distance) C4'-P energy: -28.935
bonds (distance) P-C4' energy: -33.296
flat angles C4'-P-C4' energy: -33.874
flat angles P-C4'-P energy: -24.402
tors. eta vs tors. theta energy: -51.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -413.159984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.159984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.159984 (E_RNA)
where:
Base-Base interactions energy: -272.354
where: short stacking energy: -128.020
Base-Backbone interact. energy: -1.021
local terms energy: -139.785491
where:
bonds (distance) C4'-P energy: -29.196
bonds (distance) P-C4' energy: -29.023
flat angles C4'-P-C4' energy: -29.760
flat angles P-C4'-P energy: -20.162
tors. eta vs tors. theta energy: -31.645
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: 10
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -425.292090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.292090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.292090 (E_RNA)
where:
Base-Base interactions energy: -271.429
where: short stacking energy: -135.028
Base-Backbone interact. energy: -0.441
local terms energy: -153.422780
where:
bonds (distance) C4'-P energy: -32.517
bonds (distance) P-C4' energy: -33.265
flat angles C4'-P-C4' energy: -32.398
flat angles P-C4'-P energy: -22.460
tors. eta vs tors. theta energy: -32.783
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: 2
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -429.819515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.819515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.819515 (E_RNA)
where:
Base-Base interactions energy: -270.301
where: short stacking energy: -140.841
Base-Backbone interact. energy: -1.863
local terms energy: -157.655989
where:
bonds (distance) C4'-P energy: -29.307
bonds (distance) P-C4' energy: -28.836
flat angles C4'-P-C4' energy: -32.458
flat angles P-C4'-P energy: -23.835
tors. eta vs tors. theta energy: -43.220
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: 5
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -360.110309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.110309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.110309 (E_RNA)
where:
Base-Base interactions energy: -218.369
where: short stacking energy: -126.056
Base-Backbone interact. energy: -1.433
local terms energy: -140.307932
where:
bonds (distance) C4'-P energy: -33.256
bonds (distance) P-C4' energy: -34.379
flat angles C4'-P-C4' energy: -24.273
flat angles P-C4'-P energy: -18.939
tors. eta vs tors. theta energy: -29.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -264.909194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.909194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.909194 (E_RNA)
where:
Base-Base interactions energy: -143.035
where: short stacking energy: -84.028
Base-Backbone interact. energy: -2.367
local terms energy: -119.508152
where:
bonds (distance) C4'-P energy: -28.033
bonds (distance) P-C4' energy: -33.825
flat angles C4'-P-C4' energy: -28.038
flat angles P-C4'-P energy: -14.511
tors. eta vs tors. theta energy: -15.101
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: 7
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -345.999663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.999663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.999663 (E_RNA)
where:
Base-Base interactions energy: -228.803
where: short stacking energy: -103.317
Base-Backbone interact. energy: -0.756
local terms energy: -116.441077
where:
bonds (distance) C4'-P energy: -22.577
bonds (distance) P-C4' energy: -29.996
flat angles C4'-P-C4' energy: -24.720
flat angles P-C4'-P energy: -15.411
tors. eta vs tors. theta energy: -23.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -248.652961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.652961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.652961 (E_RNA)
where:
Base-Base interactions energy: -144.008
where: short stacking energy: -79.452
Base-Backbone interact. energy: -0.057
local terms energy: -104.588216
where:
bonds (distance) C4'-P energy: -25.792
bonds (distance) P-C4' energy: -28.675
flat angles C4'-P-C4' energy: -21.745
flat angles P-C4'-P energy: -17.734
tors. eta vs tors. theta energy: -10.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -185.405803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.405803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.405803 (E_RNA)
where:
Base-Base interactions energy: -84.827
where: short stacking energy: -56.973
Base-Backbone interact. energy: -0.554
local terms energy: -100.025444
where:
bonds (distance) C4'-P energy: -24.959
bonds (distance) P-C4' energy: -37.179
flat angles C4'-P-C4' energy: -21.431
flat angles P-C4'-P energy: -15.024
tors. eta vs tors. theta energy: -1.433
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: 4
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -153.188850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.188850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.188850 (E_RNA)
where:
Base-Base interactions energy: -52.611
where: short stacking energy: -46.243
Base-Backbone interact. energy: -1.477
local terms energy: -99.100628
where:
bonds (distance) C4'-P energy: -22.424
bonds (distance) P-C4' energy: -28.203
flat angles C4'-P-C4' energy: -28.595
flat angles P-C4'-P energy: -11.194
tors. eta vs tors. theta energy: -8.684
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: 6
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -525.983109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.983109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.983109 (E_RNA)
where:
Base-Base interactions energy: -348.624
where: short stacking energy: -164.566
Base-Backbone interact. energy: -0.046
local terms energy: -177.313161
where:
bonds (distance) C4'-P energy: -31.878
bonds (distance) P-C4' energy: -33.600
flat angles C4'-P-C4' energy: -38.151
flat angles P-C4'-P energy: -24.336
tors. eta vs tors. theta energy: -49.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -435.780915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.780915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.780915 (E_RNA)
where:
Base-Base interactions energy: -281.268
where: short stacking energy: -134.414
Base-Backbone interact. energy: -0.068
local terms energy: -154.445350
where:
bonds (distance) C4'-P energy: -32.557
bonds (distance) P-C4' energy: -35.012
flat angles C4'-P-C4' energy: -32.095
flat angles P-C4'-P energy: -23.306
tors. eta vs tors. theta energy: -31.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -406.743673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.743673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.743673 (E_RNA)
where:
Base-Base interactions energy: -256.693
where: short stacking energy: -122.224
Base-Backbone interact. energy: 0.861
local terms energy: -150.912097
where:
bonds (distance) C4'-P energy: -35.759
bonds (distance) P-C4' energy: -29.991
flat angles C4'-P-C4' energy: -30.094
flat angles P-C4'-P energy: -24.393
tors. eta vs tors. theta energy: -30.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -416.333817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.333817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.333817 (E_RNA)
where:
Base-Base interactions energy: -263.475
where: short stacking energy: -133.613
Base-Backbone interact. energy: -0.169
local terms energy: -152.689971
where:
bonds (distance) C4'-P energy: -27.989
bonds (distance) P-C4' energy: -31.322
flat angles C4'-P-C4' energy: -32.166
flat angles P-C4'-P energy: -20.871
tors. eta vs tors. theta energy: -40.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -377.498463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.498463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.498463 (E_RNA)
where:
Base-Base interactions energy: -241.573
where: short stacking energy: -105.848
Base-Backbone interact. energy: -1.507
local terms energy: -134.418600
where:
bonds (distance) C4'-P energy: -28.562
bonds (distance) P-C4' energy: -35.244
flat angles C4'-P-C4' energy: -24.032
flat angles P-C4'-P energy: -16.700
tors. eta vs tors. theta energy: -29.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -372.861188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.861188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.861188 (E_RNA)
where:
Base-Base interactions energy: -245.134
where: short stacking energy: -111.056
Base-Backbone interact. energy: -0.244
local terms energy: -127.482566
where:
bonds (distance) C4'-P energy: -24.992
bonds (distance) P-C4' energy: -27.065
flat angles C4'-P-C4' energy: -36.116
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -28.805
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: 9
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -257.205633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.205633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.205633 (E_RNA)
where:
Base-Base interactions energy: -123.009
where: short stacking energy: -65.305
Base-Backbone interact. energy: -1.181
local terms energy: -133.016130
where:
bonds (distance) C4'-P energy: -28.503
bonds (distance) P-C4' energy: -35.736
flat angles C4'-P-C4' energy: -26.775
flat angles P-C4'-P energy: -24.671
tors. eta vs tors. theta energy: -17.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -254.000042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.000042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.000042 (E_RNA)
where:
Base-Base interactions energy: -138.506
where: short stacking energy: -68.791
Base-Backbone interact. energy: -0.378
local terms energy: -115.116493
where:
bonds (distance) C4'-P energy: -31.423
bonds (distance) P-C4' energy: -30.490
flat angles C4'-P-C4' energy: -34.898
flat angles P-C4'-P energy: -20.036
tors. eta vs tors. theta energy: 1.730
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: 3
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -171.825363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.825363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.825363 (E_RNA)
where:
Base-Base interactions energy: -62.950
where: short stacking energy: -50.703
Base-Backbone interact. energy: -0.731
local terms energy: -108.145068
where:
bonds (distance) C4'-P energy: -19.160
bonds (distance) P-C4' energy: -32.304
flat angles C4'-P-C4' energy: -30.976
flat angles P-C4'-P energy: -18.210
tors. eta vs tors. theta energy: -7.496
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: 4
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -193.668526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.668526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.668526 (E_RNA)
where:
Base-Base interactions energy: -96.925
where: short stacking energy: -68.047
Base-Backbone interact. energy: -0.487
local terms energy: -96.256218
where:
bonds (distance) C4'-P energy: -27.816
bonds (distance) P-C4' energy: -32.217
flat angles C4'-P-C4' energy: -21.532
flat angles P-C4'-P energy: -2.500
tors. eta vs tors. theta energy: -12.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -535.930780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.930780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.930780 (E_RNA)
where:
Base-Base interactions energy: -357.267
where: short stacking energy: -168.600
Base-Backbone interact. energy: -1.043
local terms energy: -177.620348
where:
bonds (distance) C4'-P energy: -28.065
bonds (distance) P-C4' energy: -32.487
flat angles C4'-P-C4' energy: -38.656
flat angles P-C4'-P energy: -23.530
tors. eta vs tors. theta energy: -54.883
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: 26
Temperature: 0.950000
Total energy: -452.084417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.084417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.084417 (E_RNA)
where:
Base-Base interactions energy: -297.278
where: short stacking energy: -136.617
Base-Backbone interact. energy: -0.179
local terms energy: -154.628373
where:
bonds (distance) C4'-P energy: -28.245
bonds (distance) P-C4' energy: -33.717
flat angles C4'-P-C4' energy: -32.516
flat angles P-C4'-P energy: -26.069
tors. eta vs tors. theta energy: -34.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -416.712058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.712058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.712058 (E_RNA)
where:
Base-Base interactions energy: -259.949
where: short stacking energy: -124.374
Base-Backbone interact. energy: 2.094
local terms energy: -158.857661
where:
bonds (distance) C4'-P energy: -33.632
bonds (distance) P-C4' energy: -29.947
flat angles C4'-P-C4' energy: -36.284
flat angles P-C4'-P energy: -21.239
tors. eta vs tors. theta energy: -37.755
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: 1
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -410.349744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.349744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.349744 (E_RNA)
where:
Base-Base interactions energy: -263.721
where: short stacking energy: -126.363
Base-Backbone interact. energy: -0.349
local terms energy: -146.279599
where:
bonds (distance) C4'-P energy: -34.175
bonds (distance) P-C4' energy: -30.486
flat angles C4'-P-C4' energy: -30.272
flat angles P-C4'-P energy: -23.580
tors. eta vs tors. theta energy: -27.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -396.345441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.345441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.345441 (E_RNA)
where:
Base-Base interactions energy: -258.355
where: short stacking energy: -121.980
Base-Backbone interact. energy: -0.873
local terms energy: -137.117830
where:
bonds (distance) C4'-P energy: -29.808
bonds (distance) P-C4' energy: -26.881
flat angles C4'-P-C4' energy: -27.014
flat angles P-C4'-P energy: -24.303
tors. eta vs tors. theta energy: -29.112
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: 6, replica: 5
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -344.840722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.840722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.840722 (E_RNA)
where:
Base-Base interactions energy: -225.356
where: short stacking energy: -103.857
Base-Backbone interact. energy: -0.937
local terms energy: -118.547809
where:
bonds (distance) C4'-P energy: -28.772
bonds (distance) P-C4' energy: -25.636
flat angles C4'-P-C4' energy: -30.764
flat angles P-C4'-P energy: -15.405
tors. eta vs tors. theta energy: -17.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -276.935586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.935586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.935586 (E_RNA)
where:
Base-Base interactions energy: -153.496
where: short stacking energy: -88.634
Base-Backbone interact. energy: 1.022
local terms energy: -124.462086
where:
bonds (distance) C4'-P energy: -29.354
bonds (distance) P-C4' energy: -27.411
flat angles C4'-P-C4' energy: -32.983
flat angles P-C4'-P energy: -20.043
tors. eta vs tors. theta energy: -14.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -235.385049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.385049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.385049 (E_RNA)
where:
Base-Base interactions energy: -121.408
where: short stacking energy: -74.957
Base-Backbone interact. energy: 0.183
local terms energy: -114.160254
where:
bonds (distance) C4'-P energy: -25.374
bonds (distance) P-C4' energy: -30.446
flat angles C4'-P-C4' energy: -24.827
flat angles P-C4'-P energy: -17.015
tors. eta vs tors. theta energy: -16.497
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: 3
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -157.586347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.586347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.586347 (E_RNA)
where:
Base-Base interactions energy: -48.719
where: short stacking energy: -48.407
Base-Backbone interact. energy: -0.451
local terms energy: -108.416252
where:
bonds (distance) C4'-P energy: -24.730
bonds (distance) P-C4' energy: -34.459
flat angles C4'-P-C4' energy: -25.918
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -9.455
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: 4
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -162.904630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.904630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.904630 (E_RNA)
where:
Base-Base interactions energy: -60.137
where: short stacking energy: -56.316
Base-Backbone interact. energy: 0.971
local terms energy: -103.738470
where:
bonds (distance) C4'-P energy: -24.168
bonds (distance) P-C4' energy: -32.952
flat angles C4'-P-C4' energy: -19.845
flat angles P-C4'-P energy: -21.099
tors. eta vs tors. theta energy: -5.674
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: 6
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -521.039445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.039445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.039445 (E_RNA)
where:
Base-Base interactions energy: -337.599
where: short stacking energy: -161.860
Base-Backbone interact. energy: -0.077
local terms energy: -183.363697
where:
bonds (distance) C4'-P energy: -32.164
bonds (distance) P-C4' energy: -37.025
flat angles C4'-P-C4' energy: -38.930
flat angles P-C4'-P energy: -25.976
tors. eta vs tors. theta energy: -49.269
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: 27
Temperature: 0.950000
Total energy: -432.488918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.488918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.488918 (E_RNA)
where:
Base-Base interactions energy: -279.962
where: short stacking energy: -126.721
Base-Backbone interact. energy: -0.763
local terms energy: -151.763741
where:
bonds (distance) C4'-P energy: -33.191
bonds (distance) P-C4' energy: -32.756
flat angles C4'-P-C4' energy: -32.459
flat angles P-C4'-P energy: -22.090
tors. eta vs tors. theta energy: -31.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -417.148472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.148472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.148472 (E_RNA)
where:
Base-Base interactions energy: -275.905
where: short stacking energy: -124.636
Base-Backbone interact. energy: -0.897
local terms energy: -140.347029
where:
bonds (distance) C4'-P energy: -26.120
bonds (distance) P-C4' energy: -29.105
flat angles C4'-P-C4' energy: -33.359
flat angles P-C4'-P energy: -22.925
tors. eta vs tors. theta energy: -28.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -440.213066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.213066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.213066 (E_RNA)
where:
Base-Base interactions energy: -292.731
where: short stacking energy: -133.386
Base-Backbone interact. energy: -0.133
local terms energy: -147.349106
where:
bonds (distance) C4'-P energy: -30.251
bonds (distance) P-C4' energy: -30.442
flat angles C4'-P-C4' energy: -32.122
flat angles P-C4'-P energy: -17.971
tors. eta vs tors. theta energy: -36.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -372.839042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.839042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.839042 (E_RNA)
where:
Base-Base interactions energy: -229.235
where: short stacking energy: -118.007
Base-Backbone interact. energy: 0.741
local terms energy: -144.345477
where:
bonds (distance) C4'-P energy: -31.806
bonds (distance) P-C4' energy: -30.517
flat angles C4'-P-C4' energy: -31.573
flat angles P-C4'-P energy: -20.703
tors. eta vs tors. theta energy: -29.746
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: 5
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -340.817133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.817133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.817133 (E_RNA)
where:
Base-Base interactions energy: -213.408
where: short stacking energy: -93.366
Base-Backbone interact. energy: -1.645
local terms energy: -125.763976
where:
bonds (distance) C4'-P energy: -29.431
bonds (distance) P-C4' energy: -29.220
flat angles C4'-P-C4' energy: -31.074
flat angles P-C4'-P energy: -18.672
tors. eta vs tors. theta energy: -17.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -303.865118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.865118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.865118 (E_RNA)
where:
Base-Base interactions energy: -200.703
where: short stacking energy: -94.457
Base-Backbone interact. energy: -1.332
local terms energy: -101.830238
where:
bonds (distance) C4'-P energy: -27.637
bonds (distance) P-C4' energy: -28.297
flat angles C4'-P-C4' energy: -23.729
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -11.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -205.519017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.519017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.519017 (E_RNA)
where:
Base-Base interactions energy: -101.014
where: short stacking energy: -58.347
Base-Backbone interact. energy: 2.383
local terms energy: -106.888646
where:
bonds (distance) C4'-P energy: -25.894
bonds (distance) P-C4' energy: -28.015
flat angles C4'-P-C4' energy: -29.999
flat angles P-C4'-P energy: -14.329
tors. eta vs tors. theta energy: -8.652
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: 9
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -204.463990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.463990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.463990 (E_RNA)
where:
Base-Base interactions energy: -101.246
where: short stacking energy: -54.986
Base-Backbone interact. energy: -0.585
local terms energy: -102.632394
where:
bonds (distance) C4'-P energy: -28.668
bonds (distance) P-C4' energy: -25.008
flat angles C4'-P-C4' energy: -30.404
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -7.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -151.165743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.165743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.165743 (E_RNA)
where:
Base-Base interactions energy: -51.113
where: short stacking energy: -46.589
Base-Backbone interact. energy: 2.713
local terms energy: -102.765184
where:
bonds (distance) C4'-P energy: -30.310
bonds (distance) P-C4' energy: -30.365
flat angles C4'-P-C4' energy: -23.506
flat angles P-C4'-P energy: -15.663
tors. eta vs tors. theta energy: -2.922
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: 6
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -526.354880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.354880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.354880 (E_RNA)
where:
Base-Base interactions energy: -352.187
where: short stacking energy: -170.016
Base-Backbone interact. energy: -0.527
local terms energy: -173.641034
where:
bonds (distance) C4'-P energy: -32.139
bonds (distance) P-C4' energy: -31.785
flat angles C4'-P-C4' energy: -37.079
flat angles P-C4'-P energy: -25.492
tors. eta vs tors. theta energy: -47.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -432.980560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.980560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.980560 (E_RNA)
where:
Base-Base interactions energy: -276.432
where: short stacking energy: -124.612
Base-Backbone interact. energy: -2.513
local terms energy: -154.035280
where:
bonds (distance) C4'-P energy: -29.247
bonds (distance) P-C4' energy: -31.064
flat angles C4'-P-C4' energy: -36.488
flat angles P-C4'-P energy: -23.678
tors. eta vs tors. theta energy: -33.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -466.379013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.379013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.379013 (E_RNA)
where:
Base-Base interactions energy: -304.031
where: short stacking energy: -138.166
Base-Backbone interact. energy: -3.358
local terms energy: -158.990011
where:
bonds (distance) C4'-P energy: -26.236
bonds (distance) P-C4' energy: -33.784
flat angles C4'-P-C4' energy: -34.142
flat angles P-C4'-P energy: -21.977
tors. eta vs tors. theta energy: -42.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -419.242510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.242510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.242510 (E_RNA)
where:
Base-Base interactions energy: -259.508
where: short stacking energy: -135.997
Base-Backbone interact. energy: -1.643
local terms energy: -158.091934
where:
bonds (distance) C4'-P energy: -33.343
bonds (distance) P-C4' energy: -28.661
flat angles C4'-P-C4' energy: -31.628
flat angles P-C4'-P energy: -28.208
tors. eta vs tors. theta energy: -36.252
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: 5
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -329.919658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.919658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.919658 (E_RNA)
where:
Base-Base interactions energy: -207.310
where: short stacking energy: -106.733
Base-Backbone interact. energy: -0.843
local terms energy: -121.767018
where:
bonds (distance) C4'-P energy: -24.943
bonds (distance) P-C4' energy: -31.792
flat angles C4'-P-C4' energy: -32.886
flat angles P-C4'-P energy: -19.665
tors. eta vs tors. theta energy: -12.482
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: 1
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -367.031357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.031357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.031357 (E_RNA)
where:
Base-Base interactions energy: -239.041
where: short stacking energy: -102.020
Base-Backbone interact. energy: -0.327
local terms energy: -127.663035
where:
bonds (distance) C4'-P energy: -31.413
bonds (distance) P-C4' energy: -26.157
flat angles C4'-P-C4' energy: -28.669
flat angles P-C4'-P energy: -18.759
tors. eta vs tors. theta energy: -22.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -317.379505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.379505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.379505 (E_RNA)
where:
Base-Base interactions energy: -206.073
where: short stacking energy: -104.263
Base-Backbone interact. energy: -0.638
local terms energy: -110.668948
where:
bonds (distance) C4'-P energy: -27.906
bonds (distance) P-C4' energy: -19.674
flat angles C4'-P-C4' energy: -27.816
flat angles P-C4'-P energy: -13.539
tors. eta vs tors. theta energy: -21.734
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: 3
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -183.398001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.398001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.398001 (E_RNA)
where:
Base-Base interactions energy: -70.279
where: short stacking energy: -57.514
Base-Backbone interact. energy: -0.509
local terms energy: -112.610094
where:
bonds (distance) C4'-P energy: -27.564
bonds (distance) P-C4' energy: -34.265
flat angles C4'-P-C4' energy: -19.984
flat angles P-C4'-P energy: -22.651
tors. eta vs tors. theta energy: -8.146
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: 9, replica: 4
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -162.229658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.229658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.229658 (E_RNA)
where:
Base-Base interactions energy: -64.861
where: short stacking energy: -60.804
Base-Backbone interact. energy: -0.430
local terms energy: -96.938085
where:
bonds (distance) C4'-P energy: -27.088
bonds (distance) P-C4' energy: -25.924
flat angles C4'-P-C4' energy: -25.752
flat angles P-C4'-P energy: -17.285
tors. eta vs tors. theta energy: -0.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -142.492318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.492318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.492318 (E_RNA)
where:
Base-Base interactions energy: -49.466
where: short stacking energy: -49.064
Base-Backbone interact. energy: 3.112
local terms energy: -96.138150
where:
bonds (distance) C4'-P energy: -10.702
bonds (distance) P-C4' energy: -33.402
flat angles C4'-P-C4' energy: -31.864
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: -7.355
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: 1, replica: 6
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -538.334730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.334730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.334730 (E_RNA)
where:
Base-Base interactions energy: -363.486
where: short stacking energy: -172.758
Base-Backbone interact. energy: -0.537
local terms energy: -174.311491
where:
bonds (distance) C4'-P energy: -27.961
bonds (distance) P-C4' energy: -33.647
flat angles C4'-P-C4' energy: -36.781
flat angles P-C4'-P energy: -25.218
tors. eta vs tors. theta energy: -50.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -481.025923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.025923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.025923 (E_RNA)
where:
Base-Base interactions energy: -323.844
where: short stacking energy: -142.380
Base-Backbone interact. energy: -0.886
local terms energy: -156.296238
where:
bonds (distance) C4'-P energy: -31.643
bonds (distance) P-C4' energy: -32.787
flat angles C4'-P-C4' energy: -31.149
flat angles P-C4'-P energy: -21.581
tors. eta vs tors. theta energy: -39.136
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: 29
Temperature: 1.000000
Total energy: -430.954521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.954521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.954521 (E_RNA)
where:
Base-Base interactions energy: -284.244
where: short stacking energy: -144.447
Base-Backbone interact. energy: -0.262
local terms energy: -146.449043
where:
bonds (distance) C4'-P energy: -28.400
bonds (distance) P-C4' energy: -25.565
flat angles C4'-P-C4' energy: -34.494
flat angles P-C4'-P energy: -18.308
tors. eta vs tors. theta energy: -39.683
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: 2
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -446.387599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.387599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.387599 (E_RNA)
where:
Base-Base interactions energy: -297.846
where: short stacking energy: -119.417
Base-Backbone interact. energy: -1.038
local terms energy: -147.504052
where:
bonds (distance) C4'-P energy: -26.666
bonds (distance) P-C4' energy: -33.195
flat angles C4'-P-C4' energy: -34.702
flat angles P-C4'-P energy: -22.468
tors. eta vs tors. theta energy: -30.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -333.338050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.338050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.338050 (E_RNA)
where:
Base-Base interactions energy: -204.805
where: short stacking energy: -109.964
Base-Backbone interact. energy: -0.506
local terms energy: -128.026924
where:
bonds (distance) C4'-P energy: -26.257
bonds (distance) P-C4' energy: -32.489
flat angles C4'-P-C4' energy: -29.429
flat angles P-C4'-P energy: -14.371
tors. eta vs tors. theta energy: -25.482
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: 29
Temperature: 1.150000
Total energy: -333.574750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.574750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.574750 (E_RNA)
where:
Base-Base interactions energy: -225.050
where: short stacking energy: -89.248
Base-Backbone interact. energy: -0.814
local terms energy: -107.710475
where:
bonds (distance) C4'-P energy: -20.646
bonds (distance) P-C4' energy: -27.541
flat angles C4'-P-C4' energy: -29.587
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -17.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -370.282363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.282363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.282363 (E_RNA)
where:
Base-Base interactions energy: -228.916
where: short stacking energy: -118.768
Base-Backbone interact. energy: -1.119
local terms energy: -140.246747
where:
bonds (distance) C4'-P energy: -33.803
bonds (distance) P-C4' energy: -27.798
flat angles C4'-P-C4' energy: -32.037
flat angles P-C4'-P energy: -14.904
tors. eta vs tors. theta energy: -31.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -183.306976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.306976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.306976 (E_RNA)
where:
Base-Base interactions energy: -77.431
where: short stacking energy: -46.120
Base-Backbone interact. energy: -1.287
local terms energy: -104.589540
where:
bonds (distance) C4'-P energy: -30.701
bonds (distance) P-C4' energy: -30.690
flat angles C4'-P-C4' energy: -22.090
flat angles P-C4'-P energy: -17.021
tors. eta vs tors. theta energy: -4.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -150.513780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.513780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.513780 (E_RNA)
where:
Base-Base interactions energy: -57.918
where: short stacking energy: -54.201
Base-Backbone interact. energy: 0.130
local terms energy: -92.726137
where:
bonds (distance) C4'-P energy: -31.067
bonds (distance) P-C4' energy: -35.961
flat angles C4'-P-C4' energy: -20.392
flat angles P-C4'-P energy: -11.693
tors. eta vs tors. theta energy: 6.387
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: 29
Temperature: 1.350000
Total energy: -162.312596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.312596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.312596 (E_RNA)
where:
Base-Base interactions energy: -60.189
where: short stacking energy: -53.300
Base-Backbone interact. energy: -0.597
local terms energy: -101.526458
where:
bonds (distance) C4'-P energy: -34.503
bonds (distance) P-C4' energy: -26.920
flat angles C4'-P-C4' energy: -25.351
flat angles P-C4'-P energy: -7.079
tors. eta vs tors. theta energy: -7.674
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: 6
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -537.194523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.194523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.194523 (E_RNA)
where:
Base-Base interactions energy: -355.466
where: short stacking energy: -165.885
Base-Backbone interact. energy: -0.056
local terms energy: -181.672393
where:
bonds (distance) C4'-P energy: -28.715
bonds (distance) P-C4' energy: -33.281
flat angles C4'-P-C4' energy: -39.449
flat angles P-C4'-P energy: -27.992
tors. eta vs tors. theta energy: -52.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -465.467591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.467591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.467591 (E_RNA)
where:
Base-Base interactions energy: -314.239
where: short stacking energy: -130.632
Base-Backbone interact. energy: -0.830
local terms energy: -150.398980
where:
bonds (distance) C4'-P energy: -33.484
bonds (distance) P-C4' energy: -30.917
flat angles C4'-P-C4' energy: -24.992
flat angles P-C4'-P energy: -19.878
tors. eta vs tors. theta energy: -41.128
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: 2
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -470.259884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.259884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.259884 (E_RNA)
where:
Base-Base interactions energy: -324.858
where: short stacking energy: -146.454
Base-Backbone interact. energy: -0.056
local terms energy: -145.346057
where:
bonds (distance) C4'-P energy: -29.100
bonds (distance) P-C4' energy: -25.745
flat angles C4'-P-C4' energy: -35.666
flat angles P-C4'-P energy: -20.412
tors. eta vs tors. theta energy: -34.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -406.848753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.848753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.848753 (E_RNA)
where:
Base-Base interactions energy: -262.620
where: short stacking energy: -123.541
Base-Backbone interact. energy: -0.912
local terms energy: -143.316673
where:
bonds (distance) C4'-P energy: -28.207
bonds (distance) P-C4' energy: -30.828
flat angles C4'-P-C4' energy: -32.542
flat angles P-C4'-P energy: -21.455
tors. eta vs tors. theta energy: -30.286
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: 30
Temperature: 1.100000
Total energy: -363.742502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.742502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.742502 (E_RNA)
where:
Base-Base interactions energy: -224.411
where: short stacking energy: -112.118
Base-Backbone interact. energy: 0.334
local terms energy: -139.665826
where:
bonds (distance) C4'-P energy: -32.969
bonds (distance) P-C4' energy: -29.728
flat angles C4'-P-C4' energy: -31.933
flat angles P-C4'-P energy: -18.312
tors. eta vs tors. theta energy: -26.724
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: 6, replica: 5
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -308.404457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.404457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.404457 (E_RNA)
where:
Base-Base interactions energy: -191.821
where: short stacking energy: -96.257
Base-Backbone interact. energy: 0.007
local terms energy: -116.590544
where:
bonds (distance) C4'-P energy: -28.359
bonds (distance) P-C4' energy: -31.742
flat angles C4'-P-C4' energy: -24.565
flat angles P-C4'-P energy: -21.571
tors. eta vs tors. theta energy: -10.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -326.073231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.073231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.073231 (E_RNA)
where:
Base-Base interactions energy: -189.343
where: short stacking energy: -83.949
Base-Backbone interact. energy: -1.233
local terms energy: -135.496577
where:
bonds (distance) C4'-P energy: -30.686
bonds (distance) P-C4' energy: -31.941
flat angles C4'-P-C4' energy: -29.056
flat angles P-C4'-P energy: -24.333
tors. eta vs tors. theta energy: -19.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -165.754507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.754507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.754507 (E_RNA)
where:
Base-Base interactions energy: -53.372
where: short stacking energy: -47.756
Base-Backbone interact. energy: 0.012
local terms energy: -112.394310
where:
bonds (distance) C4'-P energy: -20.559
bonds (distance) P-C4' energy: -37.755
flat angles C4'-P-C4' energy: -31.724
flat angles P-C4'-P energy: -16.204
tors. eta vs tors. theta energy: -6.152
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: 9
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -160.968619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.968619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.968619 (E_RNA)
where:
Base-Base interactions energy: -55.894
where: short stacking energy: -49.060
Base-Backbone interact. energy: -1.233
local terms energy: -103.841631
where:
bonds (distance) C4'-P energy: -30.127
bonds (distance) P-C4' energy: -29.009
flat angles C4'-P-C4' energy: -24.598
flat angles P-C4'-P energy: -13.551
tors. eta vs tors. theta energy: -6.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -146.272969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.272969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.272969 (E_RNA)
where:
Base-Base interactions energy: -39.256
where: short stacking energy: -37.198
Base-Backbone interact. energy: 1.092
local terms energy: -108.108980
where:
bonds (distance) C4'-P energy: -33.849
bonds (distance) P-C4' energy: -33.692
flat angles C4'-P-C4' energy: -25.280
flat angles P-C4'-P energy: -14.175
tors. eta vs tors. theta energy: -1.113
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: 6
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -529.766907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.766907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.766907 (E_RNA)
where:
Base-Base interactions energy: -356.075
where: short stacking energy: -167.264
Base-Backbone interact. energy: -0.013
local terms energy: -173.679085
where:
bonds (distance) C4'-P energy: -23.722
bonds (distance) P-C4' energy: -36.060
flat angles C4'-P-C4' energy: -39.106
flat angles P-C4'-P energy: -24.698
tors. eta vs tors. theta energy: -50.093
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: 7
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -466.608997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.608997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.608997 (E_RNA)
where:
Base-Base interactions energy: -304.231
where: short stacking energy: -128.187
Base-Backbone interact. energy: -1.266
local terms energy: -161.112386
where:
bonds (distance) C4'-P energy: -34.983
bonds (distance) P-C4' energy: -31.329
flat angles C4'-P-C4' energy: -31.535
flat angles P-C4'-P energy: -26.100
tors. eta vs tors. theta energy: -37.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -475.772395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.772395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.772395 (E_RNA)
where:
Base-Base interactions energy: -319.486
where: short stacking energy: -135.251
Base-Backbone interact. energy: -0.877
local terms energy: -155.410090
where:
bonds (distance) C4'-P energy: -32.602
bonds (distance) P-C4' energy: -33.110
flat angles C4'-P-C4' energy: -35.694
flat angles P-C4'-P energy: -17.822
tors. eta vs tors. theta energy: -36.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -403.611943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.611943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.611943 (E_RNA)
where:
Base-Base interactions energy: -263.737
where: short stacking energy: -121.427
Base-Backbone interact. energy: -0.258
local terms energy: -139.616818
where:
bonds (distance) C4'-P energy: -34.781
bonds (distance) P-C4' energy: -28.286
flat angles C4'-P-C4' energy: -29.777
flat angles P-C4'-P energy: -22.742
tors. eta vs tors. theta energy: -24.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -372.325007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.325007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.325007 (E_RNA)
where:
Base-Base interactions energy: -245.303
where: short stacking energy: -117.124
Base-Backbone interact. energy: -0.742
local terms energy: -126.279899
where:
bonds (distance) C4'-P energy: -23.834
bonds (distance) P-C4' energy: -24.859
flat angles C4'-P-C4' energy: -33.123
flat angles P-C4'-P energy: -20.302
tors. eta vs tors. theta energy: -24.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -330.872067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.872067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.872067 (E_RNA)
where:
Base-Base interactions energy: -191.620
where: short stacking energy: -87.869
Base-Backbone interact. energy: -2.170
local terms energy: -137.081982
where:
bonds (distance) C4'-P energy: -27.801
bonds (distance) P-C4' energy: -34.489
flat angles C4'-P-C4' energy: -28.350
flat angles P-C4'-P energy: -23.463
tors. eta vs tors. theta energy: -22.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -296.361380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.361380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.361380 (E_RNA)
where:
Base-Base interactions energy: -183.036
where: short stacking energy: -92.910
Base-Backbone interact. energy: -0.359
local terms energy: -112.965810
where:
bonds (distance) C4'-P energy: -25.699
bonds (distance) P-C4' energy: -25.173
flat angles C4'-P-C4' energy: -29.762
flat angles P-C4'-P energy: -22.055
tors. eta vs tors. theta energy: -10.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -166.911843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.911843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.911843 (E_RNA)
where:
Base-Base interactions energy: -48.515
where: short stacking energy: -41.903
Base-Backbone interact. energy: 1.223
local terms energy: -119.619997
where:
bonds (distance) C4'-P energy: -30.438
bonds (distance) P-C4' energy: -35.502
flat angles C4'-P-C4' energy: -28.082
flat angles P-C4'-P energy: -21.805
tors. eta vs tors. theta energy: -3.793
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: 4
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -172.473754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.473754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.473754 (E_RNA)
where:
Base-Base interactions energy: -64.762
where: short stacking energy: -54.179
Base-Backbone interact. energy: -0.898
local terms energy: -106.813996
where:
bonds (distance) C4'-P energy: -29.568
bonds (distance) P-C4' energy: -32.908
flat angles C4'-P-C4' energy: -25.009
flat angles P-C4'-P energy: -13.227
tors. eta vs tors. theta energy: -6.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -157.133765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.133765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.133765 (E_RNA)
where:
Base-Base interactions energy: -55.570
where: short stacking energy: -54.221
Base-Backbone interact. energy: -0.271
local terms energy: -101.292766
where:
bonds (distance) C4'-P energy: -31.841
bonds (distance) P-C4' energy: -27.692
flat angles C4'-P-C4' energy: -19.076
flat angles P-C4'-P energy: -14.807
tors. eta vs tors. theta energy: -7.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -524.432137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.432137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.432137 (E_RNA)
where:
Base-Base interactions energy: -347.174
where: short stacking energy: -165.833
Base-Backbone interact. energy: -0.149
local terms energy: -177.109079
where:
bonds (distance) C4'-P energy: -27.285
bonds (distance) P-C4' energy: -32.976
flat angles C4'-P-C4' energy: -39.460
flat angles P-C4'-P energy: -28.302
tors. eta vs tors. theta energy: -49.086
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: 32
Temperature: 0.950000
Total energy: -477.727461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.727461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.727461 (E_RNA)
where:
Base-Base interactions energy: -303.378
where: short stacking energy: -153.179
Base-Backbone interact. energy: -1.006
local terms energy: -173.342928
where:
bonds (distance) C4'-P energy: -25.312
bonds (distance) P-C4' energy: -40.179
flat angles C4'-P-C4' energy: -35.706
flat angles P-C4'-P energy: -28.777
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: 3, replica: 2
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -498.694869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.694869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.694869 (E_RNA)
where:
Base-Base interactions energy: -328.690
where: short stacking energy: -146.947
Base-Backbone interact. energy: 0.608
local terms energy: -170.613285
where:
bonds (distance) C4'-P energy: -29.222
bonds (distance) P-C4' energy: -34.365
flat angles C4'-P-C4' energy: -36.656
flat angles P-C4'-P energy: -28.266
tors. eta vs tors. theta energy: -42.105
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: 10
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -407.219863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.219863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.219863 (E_RNA)
where:
Base-Base interactions energy: -261.376
where: short stacking energy: -121.491
Base-Backbone interact. energy: -0.247
local terms energy: -145.596890
where:
bonds (distance) C4'-P energy: -30.509
bonds (distance) P-C4' energy: -27.781
flat angles C4'-P-C4' energy: -33.469
flat angles P-C4'-P energy: -22.206
tors. eta vs tors. theta energy: -31.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -355.889781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.889781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.889781 (E_RNA)
where:
Base-Base interactions energy: -225.555
where: short stacking energy: -111.688
Base-Backbone interact. energy: 0.824
local terms energy: -131.158003
where:
bonds (distance) C4'-P energy: -25.735
bonds (distance) P-C4' energy: -26.467
flat angles C4'-P-C4' energy: -31.139
flat angles P-C4'-P energy: -21.989
tors. eta vs tors. theta energy: -25.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -346.666600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.666600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.666600 (E_RNA)
where:
Base-Base interactions energy: -211.043
where: short stacking energy: -93.511
Base-Backbone interact. energy: -0.686
local terms energy: -134.937437
where:
bonds (distance) C4'-P energy: -30.616
bonds (distance) P-C4' energy: -33.169
flat angles C4'-P-C4' energy: -28.801
flat angles P-C4'-P energy: -20.168
tors. eta vs tors. theta energy: -22.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -295.850972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.850972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.850972 (E_RNA)
where:
Base-Base interactions energy: -184.849
where: short stacking energy: -85.785
Base-Backbone interact. energy: 0.992
local terms energy: -111.993347
where:
bonds (distance) C4'-P energy: -26.066
bonds (distance) P-C4' energy: -32.927
flat angles C4'-P-C4' energy: -28.022
flat angles P-C4'-P energy: -18.095
tors. eta vs tors. theta energy: -6.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -167.069199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.069199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.069199 (E_RNA)
where:
Base-Base interactions energy: -60.301
where: short stacking energy: -58.690
Base-Backbone interact. energy: 1.123
local terms energy: -107.891383
where:
bonds (distance) C4'-P energy: -30.313
bonds (distance) P-C4' energy: -30.750
flat angles C4'-P-C4' energy: -27.218
flat angles P-C4'-P energy: -18.956
tors. eta vs tors. theta energy: -0.655
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: 4
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -144.719846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.719846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.719846 (E_RNA)
where:
Base-Base interactions energy: -55.215
where: short stacking energy: -41.848
Base-Backbone interact. energy: 0.347
local terms energy: -89.851944
where:
bonds (distance) C4'-P energy: -26.540
bonds (distance) P-C4' energy: -26.628
flat angles C4'-P-C4' energy: -21.853
flat angles P-C4'-P energy: -14.208
tors. eta vs tors. theta energy: -0.623
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: 10, replica: 3
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -144.712920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.712920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.712920 (E_RNA)
where:
Base-Base interactions energy: -46.785
where: short stacking energy: -42.052
Base-Backbone interact. energy: -0.792
local terms energy: -97.136380
where:
bonds (distance) C4'-P energy: -27.954
bonds (distance) P-C4' energy: -32.117
flat angles C4'-P-C4' energy: -21.248
flat angles P-C4'-P energy: -18.043
tors. eta vs tors. theta energy: 2.225
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: 6
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -530.715544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.715544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.715544 (E_RNA)
where:
Base-Base interactions energy: -365.210
where: short stacking energy: -149.345
Base-Backbone interact. energy: -0.073
local terms energy: -165.432307
where:
bonds (distance) C4'-P energy: -32.628
bonds (distance) P-C4' energy: -36.608
flat angles C4'-P-C4' energy: -34.271
flat angles P-C4'-P energy: -18.583
tors. eta vs tors. theta energy: -43.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -511.950580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.950580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.950580 (E_RNA)
where:
Base-Base interactions energy: -344.624
where: short stacking energy: -150.300
Base-Backbone interact. energy: -3.776
local terms energy: -163.550135
where:
bonds (distance) C4'-P energy: -31.312
bonds (distance) P-C4' energy: -26.795
flat angles C4'-P-C4' energy: -37.925
flat angles P-C4'-P energy: -22.567
tors. eta vs tors. theta energy: -44.952
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: 7
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -490.183533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.183533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.183533 (E_RNA)
where:
Base-Base interactions energy: -326.178
where: short stacking energy: -141.485
Base-Backbone interact. energy: -2.877
local terms energy: -161.128692
where:
bonds (distance) C4'-P energy: -34.229
bonds (distance) P-C4' energy: -34.216
flat angles C4'-P-C4' energy: -29.182
flat angles P-C4'-P energy: -26.071
tors. eta vs tors. theta energy: -37.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -413.521082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.521082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.521082 (E_RNA)
where:
Base-Base interactions energy: -275.301
where: short stacking energy: -130.828
Base-Backbone interact. energy: -0.290
local terms energy: -137.929836
where:
bonds (distance) C4'-P energy: -29.079
bonds (distance) P-C4' energy: -28.687
flat angles C4'-P-C4' energy: -27.504
flat angles P-C4'-P energy: -16.448
tors. eta vs tors. theta energy: -36.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -336.862036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.862036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.862036 (E_RNA)
where:
Base-Base interactions energy: -204.393
where: short stacking energy: -104.922
Base-Backbone interact. energy: -0.589
local terms energy: -131.880229
where:
bonds (distance) C4'-P energy: -28.248
bonds (distance) P-C4' energy: -32.070
flat angles C4'-P-C4' energy: -28.729
flat angles P-C4'-P energy: -16.446
tors. eta vs tors. theta energy: -26.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -362.808180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.808180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.808180 (E_RNA)
where:
Base-Base interactions energy: -226.344
where: short stacking energy: -114.788
Base-Backbone interact. energy: -0.260
local terms energy: -136.204062
where:
bonds (distance) C4'-P energy: -30.524
bonds (distance) P-C4' energy: -26.863
flat angles C4'-P-C4' energy: -33.861
flat angles P-C4'-P energy: -16.554
tors. eta vs tors. theta energy: -28.403
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: 8
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -268.203118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.203118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.203118 (E_RNA)
where:
Base-Base interactions energy: -137.855
where: short stacking energy: -84.802
Base-Backbone interact. energy: -0.664
local terms energy: -129.684784
where:
bonds (distance) C4'-P energy: -33.551
bonds (distance) P-C4' energy: -34.294
flat angles C4'-P-C4' energy: -26.172
flat angles P-C4'-P energy: -21.883
tors. eta vs tors. theta energy: -13.785
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: 4
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -167.764213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.764213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.764213 (E_RNA)
where:
Base-Base interactions energy: -74.418
where: short stacking energy: -54.700
Base-Backbone interact. energy: -0.448
local terms energy: -92.898512
where:
bonds (distance) C4'-P energy: -26.160
bonds (distance) P-C4' energy: -25.172
flat angles C4'-P-C4' energy: -21.058
flat angles P-C4'-P energy: -17.479
tors. eta vs tors. theta energy: -3.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -162.289221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.289221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.289221 (E_RNA)
where:
Base-Base interactions energy: -52.257
where: short stacking energy: -40.586
Base-Backbone interact. energy: -1.357
local terms energy: -108.674976
where:
bonds (distance) C4'-P energy: -30.260
bonds (distance) P-C4' energy: -34.075
flat angles C4'-P-C4' energy: -34.375
flat angles P-C4'-P energy: -12.858
tors. eta vs tors. theta energy: 2.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -152.027912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.027912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.027912 (E_RNA)
where:
Base-Base interactions energy: -52.840
where: short stacking energy: -39.926
Base-Backbone interact. energy: 1.103
local terms energy: -100.291331
where:
bonds (distance) C4'-P energy: -33.493
bonds (distance) P-C4' energy: -29.811
flat angles C4'-P-C4' energy: -27.592
flat angles P-C4'-P energy: -18.713
tors. eta vs tors. theta energy: 9.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -526.171815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.171815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.171815 (E_RNA)
where:
Base-Base interactions energy: -360.806
where: short stacking energy: -159.083
Base-Backbone interact. energy: -0.359
local terms energy: -165.006276
where:
bonds (distance) C4'-P energy: -31.314
bonds (distance) P-C4' energy: -31.115
flat angles C4'-P-C4' energy: -35.988
flat angles P-C4'-P energy: -20.587
tors. eta vs tors. theta energy: -46.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -520.398361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.398361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.398361 (E_RNA)
where:
Base-Base interactions energy: -351.464
where: short stacking energy: -161.721
Base-Backbone interact. energy: -0.061
local terms energy: -168.872988
where:
bonds (distance) C4'-P energy: -27.732
bonds (distance) P-C4' energy: -33.653
flat angles C4'-P-C4' energy: -34.764
flat angles P-C4'-P energy: -28.747
tors. eta vs tors. theta energy: -43.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -441.740030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.740030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.740030 (E_RNA)
where:
Base-Base interactions energy: -288.295
where: short stacking energy: -138.464
Base-Backbone interact. energy: -0.403
local terms energy: -153.041755
where:
bonds (distance) C4'-P energy: -30.958
bonds (distance) P-C4' energy: -31.975
flat angles C4'-P-C4' energy: -36.736
flat angles P-C4'-P energy: -20.425
tors. eta vs tors. theta energy: -32.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -465.953372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.953372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.953372 (E_RNA)
where:
Base-Base interactions energy: -307.960
where: short stacking energy: -136.696
Base-Backbone interact. energy: -3.473
local terms energy: -154.519864
where:
bonds (distance) C4'-P energy: -26.741
bonds (distance) P-C4' energy: -32.145
flat angles C4'-P-C4' energy: -34.319
flat angles P-C4'-P energy: -23.616
tors. eta vs tors. theta energy: -37.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -364.822726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.822726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.822726 (E_RNA)
where:
Base-Base interactions energy: -221.134
where: short stacking energy: -116.565
Base-Backbone interact. energy: -1.111
local terms energy: -142.577159
where:
bonds (distance) C4'-P energy: -24.141
bonds (distance) P-C4' energy: -29.387
flat angles C4'-P-C4' energy: -33.367
flat angles P-C4'-P energy: -24.593
tors. eta vs tors. theta energy: -31.088
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: 1
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -311.526009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.526009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.526009 (E_RNA)
where:
Base-Base interactions energy: -179.373
where: short stacking energy: -100.042
Base-Backbone interact. energy: -1.324
local terms energy: -130.829068
where:
bonds (distance) C4'-P energy: -24.446
bonds (distance) P-C4' energy: -30.764
flat angles C4'-P-C4' energy: -33.308
flat angles P-C4'-P energy: -21.860
tors. eta vs tors. theta energy: -20.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -251.696857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.696857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.696857 (E_RNA)
where:
Base-Base interactions energy: -125.848
where: short stacking energy: -76.192
Base-Backbone interact. energy: -0.470
local terms energy: -125.379250
where:
bonds (distance) C4'-P energy: -23.796
bonds (distance) P-C4' energy: -31.885
flat angles C4'-P-C4' energy: -33.770
flat angles P-C4'-P energy: -25.006
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: 8, replica: 4
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -197.200821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.200821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.200821 (E_RNA)
where:
Base-Base interactions energy: -82.725
where: short stacking energy: -63.885
Base-Backbone interact. energy: -0.264
local terms energy: -114.212428
where:
bonds (distance) C4'-P energy: -28.138
bonds (distance) P-C4' energy: -27.837
flat angles C4'-P-C4' energy: -35.499
flat angles P-C4'-P energy: -13.747
tors. eta vs tors. theta energy: -8.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -156.923572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.923572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.923572 (E_RNA)
where:
Base-Base interactions energy: -59.352
where: short stacking energy: -53.341
Base-Backbone interact. energy: -0.671
local terms energy: -96.901186
where:
bonds (distance) C4'-P energy: -27.908
bonds (distance) P-C4' energy: -26.002
flat angles C4'-P-C4' energy: -30.326
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: -2.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -147.621051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.621051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.621051 (E_RNA)
where:
Base-Base interactions energy: -46.938
where: short stacking energy: -39.864
Base-Backbone interact. energy: -1.000
local terms energy: -99.682862
where:
bonds (distance) C4'-P energy: -22.477
bonds (distance) P-C4' energy: -31.521
flat angles C4'-P-C4' energy: -29.888
flat angles P-C4'-P energy: -17.524
tors. eta vs tors. theta energy: 1.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -507.264699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.264699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.264699 (E_RNA)
where:
Base-Base interactions energy: -355.434
where: short stacking energy: -156.456
Base-Backbone interact. energy: -0.703
local terms energy: -151.128587
where:
bonds (distance) C4'-P energy: -23.781
bonds (distance) P-C4' energy: -35.162
flat angles C4'-P-C4' energy: -27.497
flat angles P-C4'-P energy: -22.789
tors. eta vs tors. theta energy: -41.900
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: 6
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -515.657322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.657322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.657322 (E_RNA)
where:
Base-Base interactions energy: -355.482
where: short stacking energy: -162.871
Base-Backbone interact. energy: -0.018
local terms energy: -160.156724
where:
bonds (distance) C4'-P energy: -29.374
bonds (distance) P-C4' energy: -30.111
flat angles C4'-P-C4' energy: -34.653
flat angles P-C4'-P energy: -17.846
tors. eta vs tors. theta energy: -48.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -452.738360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.738360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.738360 (E_RNA)
where:
Base-Base interactions energy: -301.108
where: short stacking energy: -137.762
Base-Backbone interact. energy: -0.193
local terms energy: -151.437876
where:
bonds (distance) C4'-P energy: -24.497
bonds (distance) P-C4' energy: -30.740
flat angles C4'-P-C4' energy: -36.058
flat angles P-C4'-P energy: -25.995
tors. eta vs tors. theta energy: -34.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -435.918216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.918216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.918216 (E_RNA)
where:
Base-Base interactions energy: -290.867
where: short stacking energy: -113.820
Base-Backbone interact. energy: 0.395
local terms energy: -145.446778
where:
bonds (distance) C4'-P energy: -29.511
bonds (distance) P-C4' energy: -31.968
flat angles C4'-P-C4' energy: -31.561
flat angles P-C4'-P energy: -26.760
tors. eta vs tors. theta energy: -25.647
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: 5, replica: 5
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -375.813311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.813311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.813311 (E_RNA)
where:
Base-Base interactions energy: -234.089
where: short stacking energy: -115.372
Base-Backbone interact. energy: 0.828
local terms energy: -142.552429
where:
bonds (distance) C4'-P energy: -31.173
bonds (distance) P-C4' energy: -29.874
flat angles C4'-P-C4' energy: -31.920
flat angles P-C4'-P energy: -20.638
tors. eta vs tors. theta energy: -28.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -311.770876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.770876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.770876 (E_RNA)
where:
Base-Base interactions energy: -187.712
where: short stacking energy: -81.037
Base-Backbone interact. energy: -1.902
local terms energy: -122.156328
where:
bonds (distance) C4'-P energy: -29.370
bonds (distance) P-C4' energy: -30.108
flat angles C4'-P-C4' energy: -26.735
flat angles P-C4'-P energy: -19.560
tors. eta vs tors. theta energy: -16.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -257.070532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.070532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.070532 (E_RNA)
where:
Base-Base interactions energy: -147.850
where: short stacking energy: -87.844
Base-Backbone interact. energy: -0.761
local terms energy: -108.459564
where:
bonds (distance) C4'-P energy: -23.623
bonds (distance) P-C4' energy: -28.605
flat angles C4'-P-C4' energy: -27.857
flat angles P-C4'-P energy: -14.169
tors. eta vs tors. theta energy: -14.206
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: 3
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -181.264596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.264596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.264596 (E_RNA)
where:
Base-Base interactions energy: -81.288
where: short stacking energy: -62.970
Base-Backbone interact. energy: -0.301
local terms energy: -99.675885
where:
bonds (distance) C4'-P energy: -20.472
bonds (distance) P-C4' energy: -28.014
flat angles C4'-P-C4' energy: -21.011
flat angles P-C4'-P energy: -19.570
tors. eta vs tors. theta energy: -10.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -153.804345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.804345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.804345 (E_RNA)
where:
Base-Base interactions energy: -56.085
where: short stacking energy: -38.925
Base-Backbone interact. energy: 1.653
local terms energy: -99.372786
where:
bonds (distance) C4'-P energy: -29.116
bonds (distance) P-C4' energy: -33.955
flat angles C4'-P-C4' energy: -19.522
flat angles P-C4'-P energy: -15.103
tors. eta vs tors. theta energy: -1.676
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: 9
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -145.998008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.998008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.998008 (E_RNA)
where:
Base-Base interactions energy: -51.003
where: short stacking energy: -46.382
Base-Backbone interact. energy: -0.412
local terms energy: -94.583765
where:
bonds (distance) C4'-P energy: -21.722
bonds (distance) P-C4' energy: -29.881
flat angles C4'-P-C4' energy: -24.650
flat angles P-C4'-P energy: -25.556
tors. eta vs tors. theta energy: 7.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -541.741374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.741374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.741374 (E_RNA)
where:
Base-Base interactions energy: -364.210
where: short stacking energy: -166.956
Base-Backbone interact. energy: -0.117
local terms energy: -177.414824
where:
bonds (distance) C4'-P energy: -32.353
bonds (distance) P-C4' energy: -32.971
flat angles C4'-P-C4' energy: -35.862
flat angles P-C4'-P energy: -26.641
tors. eta vs tors. theta energy: -49.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -514.307588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.307588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.307588 (E_RNA)
where:
Base-Base interactions energy: -357.514
where: short stacking energy: -166.436
Base-Backbone interact. energy: -0.360
local terms energy: -156.434060
where:
bonds (distance) C4'-P energy: -25.300
bonds (distance) P-C4' energy: -30.621
flat angles C4'-P-C4' energy: -32.319
flat angles P-C4'-P energy: -24.260
tors. eta vs tors. theta energy: -43.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -447.218379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.218379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.218379 (E_RNA)
where:
Base-Base interactions energy: -308.132
where: short stacking energy: -120.470
Base-Backbone interact. energy: 1.301
local terms energy: -140.388095
where:
bonds (distance) C4'-P energy: -30.732
bonds (distance) P-C4' energy: -26.614
flat angles C4'-P-C4' energy: -35.389
flat angles P-C4'-P energy: -18.734
tors. eta vs tors. theta energy: -28.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -398.781773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.781773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.781773 (E_RNA)
where:
Base-Base interactions energy: -252.328
where: short stacking energy: -127.974
Base-Backbone interact. energy: -0.955
local terms energy: -145.499366
where:
bonds (distance) C4'-P energy: -31.689
bonds (distance) P-C4' energy: -28.308
flat angles C4'-P-C4' energy: -33.200
flat angles P-C4'-P energy: -21.848
tors. eta vs tors. theta energy: -30.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -348.569142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.569142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.569142 (E_RNA)
where:
Base-Base interactions energy: -215.391
where: short stacking energy: -110.065
Base-Backbone interact. energy: -1.680
local terms energy: -131.497871
where:
bonds (distance) C4'-P energy: -20.249
bonds (distance) P-C4' energy: -32.249
flat angles C4'-P-C4' energy: -30.326
flat angles P-C4'-P energy: -16.151
tors. eta vs tors. theta energy: -32.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -288.084219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.084219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.084219 (E_RNA)
where:
Base-Base interactions energy: -165.653
where: short stacking energy: -82.084
Base-Backbone interact. energy: -0.731
local terms energy: -121.699643
where:
bonds (distance) C4'-P energy: -30.627
bonds (distance) P-C4' energy: -35.496
flat angles C4'-P-C4' energy: -26.490
flat angles P-C4'-P energy: -15.677
tors. eta vs tors. theta energy: -13.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -248.863967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.863967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.863967 (E_RNA)
where:
Base-Base interactions energy: -137.402
where: short stacking energy: -79.150
Base-Backbone interact. energy: -0.598
local terms energy: -110.863811
where:
bonds (distance) C4'-P energy: -26.033
bonds (distance) P-C4' energy: -28.013
flat angles C4'-P-C4' energy: -31.392
flat angles P-C4'-P energy: -13.596
tors. eta vs tors. theta energy: -11.830
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: 3
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -169.927669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.927669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.927669 (E_RNA)
where:
Base-Base interactions energy: -67.262
where: short stacking energy: -62.062
Base-Backbone interact. energy: -0.135
local terms energy: -102.530596
where:
bonds (distance) C4'-P energy: -22.894
bonds (distance) P-C4' energy: -33.433
flat angles C4'-P-C4' energy: -23.638
flat angles P-C4'-P energy: -16.539
tors. eta vs tors. theta energy: -6.026
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: 9
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -183.245686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.245686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.245686 (E_RNA)
where:
Base-Base interactions energy: -91.375
where: short stacking energy: -66.005
Base-Backbone interact. energy: -0.510
local terms energy: -91.361282
where:
bonds (distance) C4'-P energy: -26.920
bonds (distance) P-C4' energy: -31.570
flat angles C4'-P-C4' energy: -24.532
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: 2.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -146.240697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.240697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.240697 (E_RNA)
where:
Base-Base interactions energy: -51.143
where: short stacking energy: -27.860
Base-Backbone interact. energy: -0.508
local terms energy: -94.590162
where:
bonds (distance) C4'-P energy: -28.724
bonds (distance) P-C4' energy: -30.020
flat angles C4'-P-C4' energy: -30.845
flat angles P-C4'-P energy: -18.731
tors. eta vs tors. theta energy: 13.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -544.733529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.733529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.733529 (E_RNA)
where:
Base-Base interactions energy: -374.631
where: short stacking energy: -172.513
Base-Backbone interact. energy: -0.582
local terms energy: -169.520840
where:
bonds (distance) C4'-P energy: -33.992
bonds (distance) P-C4' energy: -29.901
flat angles C4'-P-C4' energy: -32.254
flat angles P-C4'-P energy: -24.556
tors. eta vs tors. theta energy: -48.817
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: 2
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -518.524029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.524029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.524029 (E_RNA)
where:
Base-Base interactions energy: -354.631
where: short stacking energy: -160.316
Base-Backbone interact. energy: -0.359
local terms energy: -163.534221
where:
bonds (distance) C4'-P energy: -30.985
bonds (distance) P-C4' energy: -31.540
flat angles C4'-P-C4' energy: -33.686
flat angles P-C4'-P energy: -22.548
tors. eta vs tors. theta energy: -44.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -434.956681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.956681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.956681 (E_RNA)
where:
Base-Base interactions energy: -289.991
where: short stacking energy: -121.908
Base-Backbone interact. energy: 0.613
local terms energy: -145.578728
where:
bonds (distance) C4'-P energy: -25.907
bonds (distance) P-C4' energy: -33.370
flat angles C4'-P-C4' energy: -29.202
flat angles P-C4'-P energy: -27.231
tors. eta vs tors. theta energy: -29.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -402.974824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.974824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.974824 (E_RNA)
where:
Base-Base interactions energy: -255.138
where: short stacking energy: -121.671
Base-Backbone interact. energy: 0.686
local terms energy: -148.522088
where:
bonds (distance) C4'-P energy: -31.785
bonds (distance) P-C4' energy: -34.175
flat angles C4'-P-C4' energy: -30.887
flat angles P-C4'-P energy: -24.279
tors. eta vs tors. theta energy: -27.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -369.368723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.368723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.368723 (E_RNA)
where:
Base-Base interactions energy: -228.544
where: short stacking energy: -111.739
Base-Backbone interact. energy: -0.555
local terms energy: -140.269134
where:
bonds (distance) C4'-P energy: -29.363
bonds (distance) P-C4' energy: -28.332
flat angles C4'-P-C4' energy: -35.906
flat angles P-C4'-P energy: -18.502
tors. eta vs tors. theta energy: -28.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -266.144641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.144641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.144641 (E_RNA)
where:
Base-Base interactions energy: -136.609
where: short stacking energy: -88.442
Base-Backbone interact. energy: -0.102
local terms energy: -129.433742
where:
bonds (distance) C4'-P energy: -28.489
bonds (distance) P-C4' energy: -29.173
flat angles C4'-P-C4' energy: -31.160
flat angles P-C4'-P energy: -22.387
tors. eta vs tors. theta energy: -18.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -274.275526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.275526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.275526 (E_RNA)
where:
Base-Base interactions energy: -152.840
where: short stacking energy: -88.133
Base-Backbone interact. energy: -0.394
local terms energy: -121.041396
where:
bonds (distance) C4'-P energy: -26.786
bonds (distance) P-C4' energy: -32.114
flat angles C4'-P-C4' energy: -26.547
flat angles P-C4'-P energy: -16.263
tors. eta vs tors. theta energy: -19.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -182.505584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.505584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.505584 (E_RNA)
where:
Base-Base interactions energy: -78.180
where: short stacking energy: -67.341
Base-Backbone interact. energy: 0.007
local terms energy: -104.332810
where:
bonds (distance) C4'-P energy: -24.686
bonds (distance) P-C4' energy: -29.057
flat angles C4'-P-C4' energy: -29.942
flat angles P-C4'-P energy: -15.503
tors. eta vs tors. theta energy: -5.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -154.319750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.319750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.319750 (E_RNA)
where:
Base-Base interactions energy: -63.514
where: short stacking energy: -51.722
Base-Backbone interact. energy: 0.971
local terms energy: -91.776508
where:
bonds (distance) C4'-P energy: -26.132
bonds (distance) P-C4' energy: -27.004
flat angles C4'-P-C4' energy: -18.041
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: -8.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -148.924355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.924355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.924355 (E_RNA)
where:
Base-Base interactions energy: -54.795
where: short stacking energy: -44.109
Base-Backbone interact. energy: 3.862
local terms energy: -97.991038
where:
bonds (distance) C4'-P energy: -24.773
bonds (distance) P-C4' energy: -27.105
flat angles C4'-P-C4' energy: -32.830
flat angles P-C4'-P energy: -17.835
tors. eta vs tors. theta energy: 4.551
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: 6
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -536.316373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.316373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.316373 (E_RNA)
where:
Base-Base interactions energy: -366.377
where: short stacking energy: -163.245
Base-Backbone interact. energy: -0.247
local terms energy: -169.691715
where:
bonds (distance) C4'-P energy: -31.359
bonds (distance) P-C4' energy: -31.824
flat angles C4'-P-C4' energy: -33.581
flat angles P-C4'-P energy: -27.806
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: 2, replica: 2
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -524.984706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.984706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.984706 (E_RNA)
where:
Base-Base interactions energy: -376.007
where: short stacking energy: -164.896
Base-Backbone interact. energy: -0.509
local terms energy: -148.469366
where:
bonds (distance) C4'-P energy: -17.243
bonds (distance) P-C4' energy: -31.634
flat angles C4'-P-C4' energy: -36.128
flat angles P-C4'-P energy: -21.019
tors. eta vs tors. theta energy: -42.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -442.565413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.565413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.565413 (E_RNA)
where:
Base-Base interactions energy: -296.846
where: short stacking energy: -124.257
Base-Backbone interact. energy: -2.141
local terms energy: -143.578065
where:
bonds (distance) C4'-P energy: -34.114
bonds (distance) P-C4' energy: -22.882
flat angles C4'-P-C4' energy: -31.203
flat angles P-C4'-P energy: -25.026
tors. eta vs tors. theta energy: -30.353
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: 4, replica: 10
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -420.226934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.226934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.226934 (E_RNA)
where:
Base-Base interactions energy: -281.706
where: short stacking energy: -130.545
Base-Backbone interact. energy: -0.320
local terms energy: -138.201816
where:
bonds (distance) C4'-P energy: -25.425
bonds (distance) P-C4' energy: -23.791
flat angles C4'-P-C4' energy: -30.304
flat angles P-C4'-P energy: -19.577
tors. eta vs tors. theta energy: -39.104
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: 38
Temperature: 1.100000
Total energy: -395.451632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.451632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.451632 (E_RNA)
where:
Base-Base interactions energy: -256.365
where: short stacking energy: -122.500
Base-Backbone interact. energy: 0.323
local terms energy: -139.409907
where:
bonds (distance) C4'-P energy: -27.192
bonds (distance) P-C4' energy: -34.098
flat angles C4'-P-C4' energy: -26.570
flat angles P-C4'-P energy: -17.999
tors. eta vs tors. theta energy: -33.551
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: 38
Temperature: 1.150000
Total energy: -292.008786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.008786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.008786 (E_RNA)
where:
Base-Base interactions energy: -159.943
where: short stacking energy: -95.086
Base-Backbone interact. energy: 1.721
local terms energy: -133.786512
where:
bonds (distance) C4'-P energy: -31.378
bonds (distance) P-C4' energy: -33.698
flat angles C4'-P-C4' energy: -32.114
flat angles P-C4'-P energy: -19.044
tors. eta vs tors. theta energy: -17.552
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: 7, replica: 1
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -255.079306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.079306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.079306 (E_RNA)
where:
Base-Base interactions energy: -152.881
where: short stacking energy: -68.560
Base-Backbone interact. energy: 0.757
local terms energy: -102.955476
where:
bonds (distance) C4'-P energy: -33.797
bonds (distance) P-C4' energy: -21.990
flat angles C4'-P-C4' energy: -26.084
flat angles P-C4'-P energy: -14.095
tors. eta vs tors. theta energy: -6.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -182.498958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.498958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.498958 (E_RNA)
where:
Base-Base interactions energy: -73.213
where: short stacking energy: -72.410
Base-Backbone interact. energy: 1.079
local terms energy: -110.365539
where:
bonds (distance) C4'-P energy: -28.095
bonds (distance) P-C4' energy: -29.299
flat angles C4'-P-C4' energy: -28.465
flat angles P-C4'-P energy: -16.456
tors. eta vs tors. theta energy: -8.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -159.488511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.488511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.488511 (E_RNA)
where:
Base-Base interactions energy: -62.148
where: short stacking energy: -56.447
Base-Backbone interact. energy: 0.208
local terms energy: -97.548648
where:
bonds (distance) C4'-P energy: -20.969
bonds (distance) P-C4' energy: -32.645
flat angles C4'-P-C4' energy: -22.096
flat angles P-C4'-P energy: -16.689
tors. eta vs tors. theta energy: -5.149
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: 10, replica: 4
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -170.218001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.218001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.218001 (E_RNA)
where:
Base-Base interactions energy: -94.807
where: short stacking energy: -60.577
Base-Backbone interact. energy: 5.394
local terms energy: -80.804937
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -25.092
flat angles C4'-P-C4' energy: -25.272
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -6.771
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: 6
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -538.299309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.299309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.299309 (E_RNA)
where:
Base-Base interactions energy: -367.128
where: short stacking energy: -166.627
Base-Backbone interact. energy: -0.060
local terms energy: -171.111118
where:
bonds (distance) C4'-P energy: -28.884
bonds (distance) P-C4' energy: -35.493
flat angles C4'-P-C4' energy: -36.357
flat angles P-C4'-P energy: -19.167
tors. eta vs tors. theta energy: -51.210
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: 2
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -524.059986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.059986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.059986 (E_RNA)
where:
Base-Base interactions energy: -372.991
where: short stacking energy: -171.097
Base-Backbone interact. energy: -0.542
local terms energy: -150.526779
where:
bonds (distance) C4'-P energy: -29.138
bonds (distance) P-C4' energy: -25.248
flat angles C4'-P-C4' energy: -35.278
flat angles P-C4'-P energy: -17.175
tors. eta vs tors. theta energy: -43.688
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: 7
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -454.432306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.432306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.432306 (E_RNA)
where:
Base-Base interactions energy: -300.581
where: short stacking energy: -150.572
Base-Backbone interact. energy: -1.947
local terms energy: -151.904513
where:
bonds (distance) C4'-P energy: -25.610
bonds (distance) P-C4' energy: -31.222
flat angles C4'-P-C4' energy: -31.817
flat angles P-C4'-P energy: -20.383
tors. eta vs tors. theta energy: -42.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -418.187973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.187973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.187973 (E_RNA)
where:
Base-Base interactions energy: -267.938
where: short stacking energy: -127.989
Base-Backbone interact. energy: -0.079
local terms energy: -150.171447
where:
bonds (distance) C4'-P energy: -21.334
bonds (distance) P-C4' energy: -28.113
flat angles C4'-P-C4' energy: -35.328
flat angles P-C4'-P energy: -22.106
tors. eta vs tors. theta energy: -43.291
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: 10
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -401.149990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.149990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.149990 (E_RNA)
where:
Base-Base interactions energy: -265.506
where: short stacking energy: -127.694
Base-Backbone interact. energy: -0.615
local terms energy: -135.029719
where:
bonds (distance) C4'-P energy: -17.972
bonds (distance) P-C4' energy: -33.505
flat angles C4'-P-C4' energy: -31.371
flat angles P-C4'-P energy: -24.742
tors. eta vs tors. theta energy: -27.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -315.350249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.350249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.350249 (E_RNA)
where:
Base-Base interactions energy: -173.244
where: short stacking energy: -104.865
Base-Backbone interact. energy: -0.353
local terms energy: -141.754181
where:
bonds (distance) C4'-P energy: -30.577
bonds (distance) P-C4' energy: -32.022
flat angles C4'-P-C4' energy: -30.907
flat angles P-C4'-P energy: -21.168
tors. eta vs tors. theta energy: -27.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -286.463794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.463794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.463794 (E_RNA)
where:
Base-Base interactions energy: -164.233
where: short stacking energy: -99.206
Base-Backbone interact. energy: -0.202
local terms energy: -122.029111
where:
bonds (distance) C4'-P energy: -33.722
bonds (distance) P-C4' energy: -24.020
flat angles C4'-P-C4' energy: -22.183
flat angles P-C4'-P energy: -21.874
tors. eta vs tors. theta energy: -20.231
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: 3
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -182.075083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.075083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.075083 (E_RNA)
where:
Base-Base interactions energy: -74.368
where: short stacking energy: -70.867
Base-Backbone interact. energy: -0.321
local terms energy: -107.386426
where:
bonds (distance) C4'-P energy: -22.654
bonds (distance) P-C4' energy: -31.219
flat angles C4'-P-C4' energy: -27.519
flat angles P-C4'-P energy: -17.587
tors. eta vs tors. theta energy: -8.407
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: 9
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -162.672457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.672457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.672457 (E_RNA)
where:
Base-Base interactions energy: -61.901
where: short stacking energy: -61.807
Base-Backbone interact. energy: 0.175
local terms energy: -100.946223
where:
bonds (distance) C4'-P energy: -24.102
bonds (distance) P-C4' energy: -28.542
flat angles C4'-P-C4' energy: -31.963
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -5.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -177.794610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.794610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.794610 (E_RNA)
where:
Base-Base interactions energy: -87.544
where: short stacking energy: -64.137
Base-Backbone interact. energy: 0.719
local terms energy: -90.969905
where:
bonds (distance) C4'-P energy: -18.536
bonds (distance) P-C4' energy: -24.744
flat angles C4'-P-C4' energy: -30.547
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -8.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -532.039275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.039275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.039275 (E_RNA)
where:
Base-Base interactions energy: -349.784
where: short stacking energy: -167.571
Base-Backbone interact. energy: -0.337
local terms energy: -181.918533
where:
bonds (distance) C4'-P energy: -29.248
bonds (distance) P-C4' energy: -33.610
flat angles C4'-P-C4' energy: -37.001
flat angles P-C4'-P energy: -30.603
tors. eta vs tors. theta energy: -51.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -512.017958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.017958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.017958 (E_RNA)
where:
Base-Base interactions energy: -354.248
where: short stacking energy: -154.138
Base-Backbone interact. energy: -2.430
local terms energy: -155.340022
where:
bonds (distance) C4'-P energy: -31.526
bonds (distance) P-C4' energy: -30.524
flat angles C4'-P-C4' energy: -36.561
flat angles P-C4'-P energy: -17.061
tors. eta vs tors. theta energy: -39.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -408.281896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.281896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.281896 (E_RNA)
where:
Base-Base interactions energy: -264.314
where: short stacking energy: -137.553
Base-Backbone interact. energy: -2.285
local terms energy: -141.683243
where:
bonds (distance) C4'-P energy: -32.141
bonds (distance) P-C4' energy: -20.930
flat angles C4'-P-C4' energy: -29.851
flat angles P-C4'-P energy: -22.777
tors. eta vs tors. theta energy: -35.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -446.571962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.571962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.571962 (E_RNA)
where:
Base-Base interactions energy: -292.809
where: short stacking energy: -126.835
Base-Backbone interact. energy: -0.925
local terms energy: -152.837168
where:
bonds (distance) C4'-P energy: -31.562
bonds (distance) P-C4' energy: -28.585
flat angles C4'-P-C4' energy: -34.169
flat angles P-C4'-P energy: -20.200
tors. eta vs tors. theta energy: -38.321
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: 10
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -413.664179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.664179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.664179 (E_RNA)
where:
Base-Base interactions energy: -271.386
where: short stacking energy: -132.884
Base-Backbone interact. energy: -0.362
local terms energy: -141.915895
where:
bonds (distance) C4'-P energy: -25.183
bonds (distance) P-C4' energy: -27.725
flat angles C4'-P-C4' energy: -33.994
flat angles P-C4'-P energy: -21.851
tors. eta vs tors. theta energy: -33.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -340.510207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.510207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.510207 (E_RNA)
where:
Base-Base interactions energy: -194.599
where: short stacking energy: -106.571
Base-Backbone interact. energy: -0.075
local terms energy: -145.837146
where:
bonds (distance) C4'-P energy: -30.719
bonds (distance) P-C4' energy: -34.204
flat angles C4'-P-C4' energy: -29.927
flat angles P-C4'-P energy: -22.670
tors. eta vs tors. theta energy: -28.317
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: 7, replica: 8
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -310.663520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.663520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.663520 (E_RNA)
where:
Base-Base interactions energy: -182.610
where: short stacking energy: -93.766
Base-Backbone interact. energy: 1.830
local terms energy: -129.884168
where:
bonds (distance) C4'-P energy: -30.686
bonds (distance) P-C4' energy: -32.708
flat angles C4'-P-C4' energy: -19.481
flat angles P-C4'-P energy: -23.624
tors. eta vs tors. theta energy: -23.385
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: 3
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -172.445213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.445213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.445213 (E_RNA)
where:
Base-Base interactions energy: -70.209
where: short stacking energy: -53.431
Base-Backbone interact. energy: 0.230
local terms energy: -102.466013
where:
bonds (distance) C4'-P energy: -27.353
bonds (distance) P-C4' energy: -26.609
flat angles C4'-P-C4' energy: -28.314
flat angles P-C4'-P energy: -15.067
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: 9, replica: 4
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -221.375894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.375894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.375894 (E_RNA)
where:
Base-Base interactions energy: -115.306
where: short stacking energy: -72.587
Base-Backbone interact. energy: 0.968
local terms energy: -107.038511
where:
bonds (distance) C4'-P energy: -29.296
bonds (distance) P-C4' energy: -25.699
flat angles C4'-P-C4' energy: -25.264
flat angles P-C4'-P energy: -16.865
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: 10, replica: 9
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -157.812338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.812338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.812338 (E_RNA)
where:
Base-Base interactions energy: -55.560
where: short stacking energy: -50.624
Base-Backbone interact. energy: 0.992
local terms energy: -103.244153
where:
bonds (distance) C4'-P energy: -22.419
bonds (distance) P-C4' energy: -32.982
flat angles C4'-P-C4' energy: -27.686
flat angles P-C4'-P energy: -19.710
tors. eta vs tors. theta energy: -0.447
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: 6
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -534.488309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.488309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.488309 (E_RNA)
where:
Base-Base interactions energy: -367.255
where: short stacking energy: -156.347
Base-Backbone interact. energy: -0.515
local terms energy: -166.719101
where:
bonds (distance) C4'-P energy: -34.388
bonds (distance) P-C4' energy: -30.695
flat angles C4'-P-C4' energy: -31.472
flat angles P-C4'-P energy: -21.235
tors. eta vs tors. theta energy: -48.929
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: 2
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -523.048700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.048700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.048700 (E_RNA)
where:
Base-Base interactions energy: -359.555
where: short stacking energy: -164.937
Base-Backbone interact. energy: 2.646
local terms energy: -166.139620
where:
bonds (distance) C4'-P energy: -33.723
bonds (distance) P-C4' energy: -31.014
flat angles C4'-P-C4' energy: -31.489
flat angles P-C4'-P energy: -23.841
tors. eta vs tors. theta energy: -46.073
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: 3, replica: 5
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -418.796002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.796002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.796002 (E_RNA)
where:
Base-Base interactions energy: -279.984
where: short stacking energy: -109.903
Base-Backbone interact. energy: -0.823
local terms energy: -137.988608
where:
bonds (distance) C4'-P energy: -31.774
bonds (distance) P-C4' energy: -32.250
flat angles C4'-P-C4' energy: -30.987
flat angles P-C4'-P energy: -17.648
tors. eta vs tors. theta energy: -25.330
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: 7
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -468.655160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.655160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.655160 (E_RNA)
where:
Base-Base interactions energy: -317.717
where: short stacking energy: -144.915
Base-Backbone interact. energy: -1.694
local terms energy: -149.244052
where:
bonds (distance) C4'-P energy: -27.186
bonds (distance) P-C4' energy: -26.526
flat angles C4'-P-C4' energy: -32.129
flat angles P-C4'-P energy: -26.325
tors. eta vs tors. theta energy: -37.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -410.311339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.311339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.311339 (E_RNA)
where:
Base-Base interactions energy: -261.307
where: short stacking energy: -122.332
Base-Backbone interact. energy: -0.437
local terms energy: -148.567100
where:
bonds (distance) C4'-P energy: -27.150
bonds (distance) P-C4' energy: -31.651
flat angles C4'-P-C4' energy: -32.389
flat angles P-C4'-P energy: -24.810
tors. eta vs tors. theta energy: -32.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -349.896176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.896176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.896176 (E_RNA)
where:
Base-Base interactions energy: -212.817
where: short stacking energy: -116.271
Base-Backbone interact. energy: -1.270
local terms energy: -135.810040
where:
bonds (distance) C4'-P energy: -21.391
bonds (distance) P-C4' energy: -33.141
flat angles C4'-P-C4' energy: -28.157
flat angles P-C4'-P energy: -16.711
tors. eta vs tors. theta energy: -36.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -307.397868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.397868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.397868 (E_RNA)
where:
Base-Base interactions energy: -182.997
where: short stacking energy: -103.091
Base-Backbone interact. energy: -0.096
local terms energy: -124.304780
where:
bonds (distance) C4'-P energy: -23.618
bonds (distance) P-C4' energy: -25.931
flat angles C4'-P-C4' energy: -29.840
flat angles P-C4'-P energy: -16.716
tors. eta vs tors. theta energy: -28.199
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: 8, replica: 4
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -245.501744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.501744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.501744 (E_RNA)
where:
Base-Base interactions energy: -123.339
where: short stacking energy: -89.864
Base-Backbone interact. energy: -0.228
local terms energy: -121.934393
where:
bonds (distance) C4'-P energy: -22.945
bonds (distance) P-C4' energy: -28.588
flat angles C4'-P-C4' energy: -30.457
flat angles P-C4'-P energy: -21.947
tors. eta vs tors. theta energy: -17.997
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: 3
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -186.069945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.069945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.069945 (E_RNA)
where:
Base-Base interactions energy: -85.537
where: short stacking energy: -55.442
Base-Backbone interact. energy: -0.255
local terms energy: -100.278280
where:
bonds (distance) C4'-P energy: -22.772
bonds (distance) P-C4' energy: -35.097
flat angles C4'-P-C4' energy: -25.756
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -6.380
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: 41
Temperature: 1.350000
Total energy: -167.315156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.315156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.315156 (E_RNA)
where:
Base-Base interactions energy: -63.171
where: short stacking energy: -49.959
Base-Backbone interact. energy: 0.615
local terms energy: -104.759461
where:
bonds (distance) C4'-P energy: -30.734
bonds (distance) P-C4' energy: -29.076
flat angles C4'-P-C4' energy: -24.864
flat angles P-C4'-P energy: -12.277
tors. eta vs tors. theta energy: -7.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -533.769218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.769218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.769218 (E_RNA)
where:
Base-Base interactions energy: -375.499
where: short stacking energy: -155.510
Base-Backbone interact. energy: 0.016
local terms energy: -158.286332
where:
bonds (distance) C4'-P energy: -29.006
bonds (distance) P-C4' energy: -29.397
flat angles C4'-P-C4' energy: -32.319
flat angles P-C4'-P energy: -26.919
tors. eta vs tors. theta energy: -40.646
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: 6
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -522.511493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.511493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.511493 (E_RNA)
where:
Base-Base interactions energy: -357.239
where: short stacking energy: -164.120
Base-Backbone interact. energy: -0.138
local terms energy: -165.134018
where:
bonds (distance) C4'-P energy: -28.972
bonds (distance) P-C4' energy: -26.492
flat angles C4'-P-C4' energy: -33.341
flat angles P-C4'-P energy: -28.917
tors. eta vs tors. theta energy: -47.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -482.110794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.110794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.110794 (E_RNA)
where:
Base-Base interactions energy: -312.452
where: short stacking energy: -140.857
Base-Backbone interact. energy: -0.993
local terms energy: -168.664922
where:
bonds (distance) C4'-P energy: -34.847
bonds (distance) P-C4' energy: -28.130
flat angles C4'-P-C4' energy: -33.792
flat angles P-C4'-P energy: -29.550
tors. eta vs tors. theta energy: -42.347
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: 42
Temperature: 1.050000
Total energy: -422.051589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.051589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.051589 (E_RNA)
where:
Base-Base interactions energy: -271.962
where: short stacking energy: -130.642
Base-Backbone interact. energy: 1.312
local terms energy: -151.401713
where:
bonds (distance) C4'-P energy: -33.068
bonds (distance) P-C4' energy: -31.496
flat angles C4'-P-C4' energy: -28.470
flat angles P-C4'-P energy: -19.790
tors. eta vs tors. theta energy: -38.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -384.649948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.649948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.649948 (E_RNA)
where:
Base-Base interactions energy: -258.677
where: short stacking energy: -125.883
Base-Backbone interact. energy: -0.282
local terms energy: -125.690541
where:
bonds (distance) C4'-P energy: -16.639
bonds (distance) P-C4' energy: -31.725
flat angles C4'-P-C4' energy: -23.076
flat angles P-C4'-P energy: -19.881
tors. eta vs tors. theta energy: -34.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -369.728007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.728007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.728007 (E_RNA)
where:
Base-Base interactions energy: -232.067
where: short stacking energy: -117.814
Base-Backbone interact. energy: -0.617
local terms energy: -137.043768
where:
bonds (distance) C4'-P energy: -26.512
bonds (distance) P-C4' energy: -36.302
flat angles C4'-P-C4' energy: -36.475
flat angles P-C4'-P energy: -13.639
tors. eta vs tors. theta energy: -24.116
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: 1
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -268.565905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.565905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.565905 (E_RNA)
where:
Base-Base interactions energy: -142.962
where: short stacking energy: -72.843
Base-Backbone interact. energy: -1.240
local terms energy: -124.363261
where:
bonds (distance) C4'-P energy: -34.127
bonds (distance) P-C4' energy: -31.535
flat angles C4'-P-C4' energy: -26.560
flat angles P-C4'-P energy: -22.168
tors. eta vs tors. theta energy: -9.973
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: 4
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -218.692720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.692720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.692720 (E_RNA)
where:
Base-Base interactions energy: -117.100
where: short stacking energy: -72.951
Base-Backbone interact. energy: -0.422
local terms energy: -101.170670
where:
bonds (distance) C4'-P energy: -19.167
bonds (distance) P-C4' energy: -30.288
flat angles C4'-P-C4' energy: -22.835
flat angles P-C4'-P energy: -13.034
tors. eta vs tors. theta energy: -15.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -164.838930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.838930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.838930 (E_RNA)
where:
Base-Base interactions energy: -55.772
where: short stacking energy: -43.428
Base-Backbone interact. energy: 0.178
local terms energy: -109.244881
where:
bonds (distance) C4'-P energy: -27.535
bonds (distance) P-C4' energy: -31.545
flat angles C4'-P-C4' energy: -21.776
flat angles P-C4'-P energy: -22.418
tors. eta vs tors. theta energy: -5.971
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: 3
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -153.871354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.871354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.871354 (E_RNA)
where:
Base-Base interactions energy: -52.803
where: short stacking energy: -49.807
Base-Backbone interact. energy: 0.971
local terms energy: -102.039900
where:
bonds (distance) C4'-P energy: -33.058
bonds (distance) P-C4' energy: -27.560
flat angles C4'-P-C4' energy: -19.983
flat angles P-C4'-P energy: -16.927
tors. eta vs tors. theta energy: -4.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -539.973930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.973930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.973930 (E_RNA)
where:
Base-Base interactions energy: -368.776
where: short stacking energy: -171.816
Base-Backbone interact. energy: -0.198
local terms energy: -171.000354
where:
bonds (distance) C4'-P energy: -28.293
bonds (distance) P-C4' energy: -27.700
flat angles C4'-P-C4' energy: -39.699
flat angles P-C4'-P energy: -25.994
tors. eta vs tors. theta energy: -49.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -517.811402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.811402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.811402 (E_RNA)
where:
Base-Base interactions energy: -348.179
where: short stacking energy: -158.736
Base-Backbone interact. energy: -0.001
local terms energy: -169.630704
where:
bonds (distance) C4'-P energy: -30.963
bonds (distance) P-C4' energy: -28.249
flat angles C4'-P-C4' energy: -37.207
flat angles P-C4'-P energy: -24.345
tors. eta vs tors. theta energy: -48.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -482.416114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.416114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.416114 (E_RNA)
where:
Base-Base interactions energy: -317.264
where: short stacking energy: -142.017
Base-Backbone interact. energy: -1.244
local terms energy: -163.907815
where:
bonds (distance) C4'-P energy: -30.928
bonds (distance) P-C4' energy: -35.127
flat angles C4'-P-C4' energy: -37.433
flat angles P-C4'-P energy: -24.002
tors. eta vs tors. theta energy: -36.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -419.304258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.304258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.304258 (E_RNA)
where:
Base-Base interactions energy: -271.838
where: short stacking energy: -119.909
Base-Backbone interact. energy: 1.512
local terms energy: -148.978150
where:
bonds (distance) C4'-P energy: -29.318
bonds (distance) P-C4' energy: -34.185
flat angles C4'-P-C4' energy: -33.390
flat angles P-C4'-P energy: -16.546
tors. eta vs tors. theta energy: -35.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -395.534404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.534404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.534404 (E_RNA)
where:
Base-Base interactions energy: -238.344
where: short stacking energy: -123.789
Base-Backbone interact. energy: -0.338
local terms energy: -156.852388
where:
bonds (distance) C4'-P energy: -27.341
bonds (distance) P-C4' energy: -32.962
flat angles C4'-P-C4' energy: -34.916
flat angles P-C4'-P energy: -20.560
tors. eta vs tors. theta energy: -41.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -360.107763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.107763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.107763 (E_RNA)
where:
Base-Base interactions energy: -222.576
where: short stacking energy: -101.625
Base-Backbone interact. energy: -0.188
local terms energy: -137.343827
where:
bonds (distance) C4'-P energy: -27.929
bonds (distance) P-C4' energy: -30.424
flat angles C4'-P-C4' energy: -30.708
flat angles P-C4'-P energy: -22.676
tors. eta vs tors. theta energy: -25.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -275.138571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.138571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.138571 (E_RNA)
where:
Base-Base interactions energy: -160.106
where: short stacking energy: -71.841
Base-Backbone interact. energy: -0.355
local terms energy: -114.677934
where:
bonds (distance) C4'-P energy: -22.097
bonds (distance) P-C4' energy: -32.963
flat angles C4'-P-C4' energy: -30.678
flat angles P-C4'-P energy: -16.208
tors. eta vs tors. theta energy: -12.732
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: 4
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -222.307032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.307032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.307032 (E_RNA)
where:
Base-Base interactions energy: -112.179
where: short stacking energy: -68.382
Base-Backbone interact. energy: -0.340
local terms energy: -109.788335
where:
bonds (distance) C4'-P energy: -24.006
bonds (distance) P-C4' energy: -28.722
flat angles C4'-P-C4' energy: -28.529
flat angles P-C4'-P energy: -14.543
tors. eta vs tors. theta energy: -13.988
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: 43
Temperature: 1.300000
Total energy: -157.359221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.359221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.359221 (E_RNA)
where:
Base-Base interactions energy: -67.090
where: short stacking energy: -46.150
Base-Backbone interact. energy: -1.914
local terms energy: -88.355188
where:
bonds (distance) C4'-P energy: -29.634
bonds (distance) P-C4' energy: -30.430
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -13.780
tors. eta vs tors. theta energy: 2.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -150.320140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.320140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.320140 (E_RNA)
where:
Base-Base interactions energy: -59.762
where: short stacking energy: -45.457
Base-Backbone interact. energy: 1.655
local terms energy: -92.213379
where:
bonds (distance) C4'-P energy: -25.481
bonds (distance) P-C4' energy: -31.120
flat angles C4'-P-C4' energy: -21.819
flat angles P-C4'-P energy: -15.159
tors. eta vs tors. theta energy: 1.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -544.115104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.115104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.115104 (E_RNA)
where:
Base-Base interactions energy: -371.172
where: short stacking energy: -162.007
Base-Backbone interact. energy: -0.794
local terms energy: -172.148596
where:
bonds (distance) C4'-P energy: -27.424
bonds (distance) P-C4' energy: -33.591
flat angles C4'-P-C4' energy: -32.535
flat angles P-C4'-P energy: -25.722
tors. eta vs tors. theta energy: -52.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -527.234527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.234527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.234527 (E_RNA)
where:
Base-Base interactions energy: -361.016
where: short stacking energy: -170.730
Base-Backbone interact. energy: -0.182
local terms energy: -166.036589
where:
bonds (distance) C4'-P energy: -27.901
bonds (distance) P-C4' energy: -27.684
flat angles C4'-P-C4' energy: -36.016
flat angles P-C4'-P energy: -25.158
tors. eta vs tors. theta energy: -49.277
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: 7
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -484.060612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.060612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.060612 (E_RNA)
where:
Base-Base interactions energy: -320.886
where: short stacking energy: -142.369
Base-Backbone interact. energy: -2.114
local terms energy: -161.060278
where:
bonds (distance) C4'-P energy: -34.491
bonds (distance) P-C4' energy: -29.942
flat angles C4'-P-C4' energy: -33.616
flat angles P-C4'-P energy: -25.837
tors. eta vs tors. theta energy: -37.174
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: 5
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -439.563265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.563265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.563265 (E_RNA)
where:
Base-Base interactions energy: -281.394
where: short stacking energy: -119.542
Base-Backbone interact. energy: -0.534
local terms energy: -157.635521
where:
bonds (distance) C4'-P energy: -33.393
bonds (distance) P-C4' energy: -31.911
flat angles C4'-P-C4' energy: -35.928
flat angles P-C4'-P energy: -21.655
tors. eta vs tors. theta energy: -34.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -405.525253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.525253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.525253 (E_RNA)
where:
Base-Base interactions energy: -269.034
where: short stacking energy: -126.389
Base-Backbone interact. energy: -1.764
local terms energy: -134.727223
where:
bonds (distance) C4'-P energy: -26.339
bonds (distance) P-C4' energy: -29.620
flat angles C4'-P-C4' energy: -27.195
flat angles P-C4'-P energy: -22.465
tors. eta vs tors. theta energy: -29.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -387.790736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.790736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.790736 (E_RNA)
where:
Base-Base interactions energy: -251.696
where: short stacking energy: -123.042
Base-Backbone interact. energy: 0.107
local terms energy: -136.202279
where:
bonds (distance) C4'-P energy: -26.233
bonds (distance) P-C4' energy: -29.654
flat angles C4'-P-C4' energy: -29.638
flat angles P-C4'-P energy: -22.933
tors. eta vs tors. theta energy: -27.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -298.560290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.560290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.560290 (E_RNA)
where:
Base-Base interactions energy: -177.630
where: short stacking energy: -76.193
Base-Backbone interact. energy: 1.213
local terms energy: -122.143376
where:
bonds (distance) C4'-P energy: -25.614
bonds (distance) P-C4' energy: -35.355
flat angles C4'-P-C4' energy: -25.532
flat angles P-C4'-P energy: -24.735
tors. eta vs tors. theta energy: -10.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -234.206934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.206934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.206934 (E_RNA)
where:
Base-Base interactions energy: -137.520
where: short stacking energy: -66.222
Base-Backbone interact. energy: -0.483
local terms energy: -96.203759
where:
bonds (distance) C4'-P energy: -25.338
bonds (distance) P-C4' energy: -17.479
flat angles C4'-P-C4' energy: -31.480
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -12.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -155.349075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.349075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.349075 (E_RNA)
where:
Base-Base interactions energy: -51.908
where: short stacking energy: -50.580
Base-Backbone interact. energy: -0.337
local terms energy: -103.104338
where:
bonds (distance) C4'-P energy: -22.383
bonds (distance) P-C4' energy: -29.745
flat angles C4'-P-C4' energy: -24.315
flat angles P-C4'-P energy: -19.310
tors. eta vs tors. theta energy: -7.352
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: 3
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -154.122900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.122900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.122900 (E_RNA)
where:
Base-Base interactions energy: -59.609
where: short stacking energy: -51.391
Base-Backbone interact. energy: -0.737
local terms energy: -93.777674
where:
bonds (distance) C4'-P energy: -29.045
bonds (distance) P-C4' energy: -25.100
flat angles C4'-P-C4' energy: -25.357
flat angles P-C4'-P energy: -13.916
tors. eta vs tors. theta energy: -0.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -551.540718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.540718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.540718 (E_RNA)
where:
Base-Base interactions energy: -378.576
where: short stacking energy: -165.503
Base-Backbone interact. energy: -0.156
local terms energy: -172.808279
where:
bonds (distance) C4'-P energy: -33.841
bonds (distance) P-C4' energy: -34.312
flat angles C4'-P-C4' energy: -30.849
flat angles P-C4'-P energy: -20.637
tors. eta vs tors. theta energy: -53.169
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: 6
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -520.009428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.009428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.009428 (E_RNA)
where:
Base-Base interactions energy: -347.885
where: short stacking energy: -166.545
Base-Backbone interact. energy: -0.278
local terms energy: -171.846671
where:
bonds (distance) C4'-P energy: -34.473
bonds (distance) P-C4' energy: -34.128
flat angles C4'-P-C4' energy: -32.217
flat angles P-C4'-P energy: -21.856
tors. eta vs tors. theta energy: -49.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -478.319413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.319413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.319413 (E_RNA)
where:
Base-Base interactions energy: -317.171
where: short stacking energy: -140.957
Base-Backbone interact. energy: -2.562
local terms energy: -158.586536
where:
bonds (distance) C4'-P energy: -28.590
bonds (distance) P-C4' energy: -28.809
flat angles C4'-P-C4' energy: -35.730
flat angles P-C4'-P energy: -23.751
tors. eta vs tors. theta energy: -41.708
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: 5
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -456.194842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.194842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.194842 (E_RNA)
where:
Base-Base interactions energy: -307.172
where: short stacking energy: -141.526
Base-Backbone interact. energy: 1.211
local terms energy: -150.233816
where:
bonds (distance) C4'-P energy: -26.282
bonds (distance) P-C4' energy: -31.345
flat angles C4'-P-C4' energy: -30.052
flat angles P-C4'-P energy: -23.540
tors. eta vs tors. theta energy: -39.016
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: 8
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -370.013253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.013253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.013253 (E_RNA)
where:
Base-Base interactions energy: -230.961
where: short stacking energy: -116.444
Base-Backbone interact. energy: 0.160
local terms energy: -139.212398
where:
bonds (distance) C4'-P energy: -27.121
bonds (distance) P-C4' energy: -30.749
flat angles C4'-P-C4' energy: -29.630
flat angles P-C4'-P energy: -18.087
tors. eta vs tors. theta energy: -33.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -389.664997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.664997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.664997 (E_RNA)
where:
Base-Base interactions energy: -252.293
where: short stacking energy: -120.612
Base-Backbone interact. energy: -0.687
local terms energy: -136.685256
where:
bonds (distance) C4'-P energy: -33.038
bonds (distance) P-C4' energy: -18.965
flat angles C4'-P-C4' energy: -34.085
flat angles P-C4'-P energy: -22.271
tors. eta vs tors. theta energy: -28.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -226.917921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.917921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.917921 (E_RNA)
where:
Base-Base interactions energy: -122.120
where: short stacking energy: -60.187
Base-Backbone interact. energy: 0.127
local terms energy: -104.924637
where:
bonds (distance) C4'-P energy: -25.784
bonds (distance) P-C4' energy: -20.594
flat angles C4'-P-C4' energy: -34.408
flat angles P-C4'-P energy: -18.852
tors. eta vs tors. theta energy: -5.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -258.830251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.830251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.830251 (E_RNA)
where:
Base-Base interactions energy: -133.725
where: short stacking energy: -74.470
Base-Backbone interact. energy: -0.831
local terms energy: -124.273976
where:
bonds (distance) C4'-P energy: -29.099
bonds (distance) P-C4' energy: -30.137
flat angles C4'-P-C4' energy: -29.431
flat angles P-C4'-P energy: -17.942
tors. eta vs tors. theta energy: -17.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -165.738710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.738710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.738710 (E_RNA)
where:
Base-Base interactions energy: -55.964
where: short stacking energy: -45.329
Base-Backbone interact. energy: -0.365
local terms energy: -109.410228
where:
bonds (distance) C4'-P energy: -33.596
bonds (distance) P-C4' energy: -29.313
flat angles C4'-P-C4' energy: -28.099
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -7.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -179.095008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.095008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.095008 (E_RNA)
where:
Base-Base interactions energy: -84.458
where: short stacking energy: -44.919
Base-Backbone interact. energy: -1.817
local terms energy: -92.819722
where:
bonds (distance) C4'-P energy: -26.971
bonds (distance) P-C4' energy: -31.294
flat angles C4'-P-C4' energy: -26.818
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: 1.175
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: 1, replica: 2
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -555.379771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.379771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.379771 (E_RNA)
where:
Base-Base interactions energy: -382.821
where: short stacking energy: -150.705
Base-Backbone interact. energy: -1.650
local terms energy: -170.908603
where:
bonds (distance) C4'-P energy: -33.957
bonds (distance) P-C4' energy: -35.169
flat angles C4'-P-C4' energy: -31.235
flat angles P-C4'-P energy: -22.147
tors. eta vs tors. theta energy: -48.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -521.356682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.356682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.356682 (E_RNA)
where:
Base-Base interactions energy: -351.083
where: short stacking energy: -168.441
Base-Backbone interact. energy: 0.089
local terms energy: -170.362008
where:
bonds (distance) C4'-P energy: -27.056
bonds (distance) P-C4' energy: -35.529
flat angles C4'-P-C4' energy: -35.075
flat angles P-C4'-P energy: -26.975
tors. eta vs tors. theta energy: -45.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -470.601294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.601294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.601294 (E_RNA)
where:
Base-Base interactions energy: -310.393
where: short stacking energy: -136.948
Base-Backbone interact. energy: 0.542
local terms energy: -160.749803
where:
bonds (distance) C4'-P energy: -32.421
bonds (distance) P-C4' energy: -30.756
flat angles C4'-P-C4' energy: -32.429
flat angles P-C4'-P energy: -25.151
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: 4, replica: 5
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -433.685763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.685763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.685763 (E_RNA)
where:
Base-Base interactions energy: -281.271
where: short stacking energy: -140.728
Base-Backbone interact. energy: -0.317
local terms energy: -152.097759
where:
bonds (distance) C4'-P energy: -28.215
bonds (distance) P-C4' energy: -29.072
flat angles C4'-P-C4' energy: -36.062
flat angles P-C4'-P energy: -18.228
tors. eta vs tors. theta energy: -40.520
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: 46
Temperature: 1.100000
Total energy: -413.737086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.737086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.737086 (E_RNA)
where:
Base-Base interactions energy: -263.737
where: short stacking energy: -136.262
Base-Backbone interact. energy: -0.468
local terms energy: -149.531976
where:
bonds (distance) C4'-P energy: -24.941
bonds (distance) P-C4' energy: -38.421
flat angles C4'-P-C4' energy: -25.569
flat angles P-C4'-P energy: -23.372
tors. eta vs tors. theta energy: -37.229
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: 8
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -356.915186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.915186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.915186 (E_RNA)
where:
Base-Base interactions energy: -218.236
where: short stacking energy: -104.094
Base-Backbone interact. energy: 1.253
local terms energy: -139.932601
where:
bonds (distance) C4'-P energy: -28.614
bonds (distance) P-C4' energy: -28.828
flat angles C4'-P-C4' energy: -32.512
flat angles P-C4'-P energy: -22.079
tors. eta vs tors. theta energy: -27.900
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: 4
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -268.754591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.754591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.754591 (E_RNA)
where:
Base-Base interactions energy: -161.162
where: short stacking energy: -71.403
Base-Backbone interact. energy: -1.296
local terms energy: -106.297098
where:
bonds (distance) C4'-P energy: -27.730
bonds (distance) P-C4' energy: -31.777
flat angles C4'-P-C4' energy: -28.742
flat angles P-C4'-P energy: -13.361
tors. eta vs tors. theta energy: -4.687
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: 46
Temperature: 1.250000
Total energy: -257.247857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.247857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.247857 (E_RNA)
where:
Base-Base interactions energy: -130.447
where: short stacking energy: -76.735
Base-Backbone interact. energy: -1.117
local terms energy: -125.683745
where:
bonds (distance) C4'-P energy: -31.718
bonds (distance) P-C4' energy: -32.533
flat angles C4'-P-C4' energy: -27.450
flat angles P-C4'-P energy: -20.081
tors. eta vs tors. theta energy: -13.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -159.240928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.240928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.240928 (E_RNA)
where:
Base-Base interactions energy: -52.754
where: short stacking energy: -46.696
Base-Backbone interact. energy: -1.058
local terms energy: -105.428313
where:
bonds (distance) C4'-P energy: -25.762
bonds (distance) P-C4' energy: -29.668
flat angles C4'-P-C4' energy: -26.614
flat angles P-C4'-P energy: -19.647
tors. eta vs tors. theta energy: -3.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -153.338752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.338752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.338752 (E_RNA)
where:
Base-Base interactions energy: -62.253
where: short stacking energy: -44.566
Base-Backbone interact. energy: -0.031
local terms energy: -91.054668
where:
bonds (distance) C4'-P energy: -24.226
bonds (distance) P-C4' energy: -30.463
flat angles C4'-P-C4' energy: -22.646
flat angles P-C4'-P energy: -15.679
tors. eta vs tors. theta energy: 1.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -556.287538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.287538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.287538 (E_RNA)
where:
Base-Base interactions energy: -379.605
where: short stacking energy: -161.870
Base-Backbone interact. energy: -0.972
local terms energy: -175.710124
where:
bonds (distance) C4'-P energy: -35.016
bonds (distance) P-C4' energy: -31.844
flat angles C4'-P-C4' energy: -31.949
flat angles P-C4'-P energy: -28.060
tors. eta vs tors. theta energy: -48.841
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: 6
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -527.908008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.908008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.908008 (E_RNA)
where:
Base-Base interactions energy: -351.724
where: short stacking energy: -162.617
Base-Backbone interact. energy: -0.007
local terms energy: -176.177559
where:
bonds (distance) C4'-P energy: -31.021
bonds (distance) P-C4' energy: -32.211
flat angles C4'-P-C4' energy: -35.373
flat angles P-C4'-P energy: -25.761
tors. eta vs tors. theta energy: -51.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -446.330793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.330793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.330793 (E_RNA)
where:
Base-Base interactions energy: -297.835
where: short stacking energy: -128.236
Base-Backbone interact. energy: -1.259
local terms energy: -147.236572
where:
bonds (distance) C4'-P energy: -30.043
bonds (distance) P-C4' energy: -33.477
flat angles C4'-P-C4' energy: -24.443
flat angles P-C4'-P energy: -25.570
tors. eta vs tors. theta energy: -33.703
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: 47
Temperature: 1.050000
Total energy: -437.508397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.508397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.508397 (E_RNA)
where:
Base-Base interactions energy: -281.144
where: short stacking energy: -128.349
Base-Backbone interact. energy: -0.628
local terms energy: -155.736220
where:
bonds (distance) C4'-P energy: -34.673
bonds (distance) P-C4' energy: -31.925
flat angles C4'-P-C4' energy: -35.370
flat angles P-C4'-P energy: -13.350
tors. eta vs tors. theta energy: -40.419
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: 10
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -408.328182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.328182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.328182 (E_RNA)
where:
Base-Base interactions energy: -265.917
where: short stacking energy: -138.910
Base-Backbone interact. energy: -0.223
local terms energy: -142.188216
where:
bonds (distance) C4'-P energy: -24.647
bonds (distance) P-C4' energy: -27.976
flat angles C4'-P-C4' energy: -35.763
flat angles P-C4'-P energy: -21.309
tors. eta vs tors. theta energy: -32.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -345.369758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.369758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.369758 (E_RNA)
where:
Base-Base interactions energy: -207.767
where: short stacking energy: -105.552
Base-Backbone interact. energy: -0.666
local terms energy: -136.936742
where:
bonds (distance) C4'-P energy: -27.475
bonds (distance) P-C4' energy: -31.334
flat angles C4'-P-C4' energy: -29.962
flat angles P-C4'-P energy: -21.339
tors. eta vs tors. theta energy: -26.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -242.469060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.469060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.469060 (E_RNA)
where:
Base-Base interactions energy: -123.346
where: short stacking energy: -81.837
Base-Backbone interact. energy: 0.150
local terms energy: -119.273934
where:
bonds (distance) C4'-P energy: -26.463
bonds (distance) P-C4' energy: -36.535
flat angles C4'-P-C4' energy: -31.706
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -14.358
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: 47
Temperature: 1.250000
Total energy: -263.952370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.952370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.952370 (E_RNA)
where:
Base-Base interactions energy: -136.479
where: short stacking energy: -85.199
Base-Backbone interact. energy: -1.180
local terms energy: -126.293085
where:
bonds (distance) C4'-P energy: -29.894
bonds (distance) P-C4' energy: -36.527
flat angles C4'-P-C4' energy: -26.669
flat angles P-C4'-P energy: -15.652
tors. eta vs tors. theta energy: -17.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -168.022224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.022224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.022224 (E_RNA)
where:
Base-Base interactions energy: -66.067
where: short stacking energy: -64.691
Base-Backbone interact. energy: -0.985
local terms energy: -100.969828
where:
bonds (distance) C4'-P energy: -23.084
bonds (distance) P-C4' energy: -28.536
flat angles C4'-P-C4' energy: -27.568
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -13.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -154.736234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.736234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.736234 (E_RNA)
where:
Base-Base interactions energy: -50.592
where: short stacking energy: -34.167
Base-Backbone interact. energy: -0.542
local terms energy: -103.602530
where:
bonds (distance) C4'-P energy: -27.787
bonds (distance) P-C4' energy: -33.753
flat angles C4'-P-C4' energy: -25.358
flat angles P-C4'-P energy: -18.481
tors. eta vs tors. theta energy: 1.775
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: 2
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -559.509275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.509275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.509275 (E_RNA)
where:
Base-Base interactions energy: -390.017
where: short stacking energy: -171.721
Base-Backbone interact. energy: -1.014
local terms energy: -168.478618
where:
bonds (distance) C4'-P energy: -30.416
bonds (distance) P-C4' energy: -34.731
flat angles C4'-P-C4' energy: -34.130
flat angles P-C4'-P energy: -19.887
tors. eta vs tors. theta energy: -49.315
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: 6
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -536.710553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.710553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.710553 (E_RNA)
where:
Base-Base interactions energy: -355.329
where: short stacking energy: -166.277
Base-Backbone interact. energy: -0.024
local terms energy: -181.358146
where:
bonds (distance) C4'-P energy: -32.567
bonds (distance) P-C4' energy: -35.543
flat angles C4'-P-C4' energy: -36.021
flat angles P-C4'-P energy: -26.515
tors. eta vs tors. theta energy: -50.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -454.942957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.942957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.942957 (E_RNA)
where:
Base-Base interactions energy: -302.711
where: short stacking energy: -136.215
Base-Backbone interact. energy: -2.252
local terms energy: -149.980607
where:
bonds (distance) C4'-P energy: -24.719
bonds (distance) P-C4' energy: -38.204
flat angles C4'-P-C4' energy: -29.962
flat angles P-C4'-P energy: -19.629
tors. eta vs tors. theta energy: -37.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -421.838857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.838857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.838857 (E_RNA)
where:
Base-Base interactions energy: -266.669
where: short stacking energy: -137.265
Base-Backbone interact. energy: 1.811
local terms energy: -156.981598
where:
bonds (distance) C4'-P energy: -35.802
bonds (distance) P-C4' energy: -31.204
flat angles C4'-P-C4' energy: -35.617
flat angles P-C4'-P energy: -24.648
tors. eta vs tors. theta energy: -29.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -387.108759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.108759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.108759 (E_RNA)
where:
Base-Base interactions energy: -252.859
where: short stacking energy: -116.235
Base-Backbone interact. energy: 0.249
local terms energy: -134.499646
where:
bonds (distance) C4'-P energy: -31.699
bonds (distance) P-C4' energy: -28.099
flat angles C4'-P-C4' energy: -34.098
flat angles P-C4'-P energy: -14.969
tors. eta vs tors. theta energy: -25.634
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: 48
Temperature: 1.150000
Total energy: -346.788731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.788731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.788731 (E_RNA)
where:
Base-Base interactions energy: -218.203
where: short stacking energy: -104.841
Base-Backbone interact. energy: -0.378
local terms energy: -128.207915
where:
bonds (distance) C4'-P energy: -19.931
bonds (distance) P-C4' energy: -36.974
flat angles C4'-P-C4' energy: -30.326
flat angles P-C4'-P energy: -17.356
tors. eta vs tors. theta energy: -23.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -275.186541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.186541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.186541 (E_RNA)
where:
Base-Base interactions energy: -161.822
where: short stacking energy: -86.817
Base-Backbone interact. energy: -0.207
local terms energy: -113.157987
where:
bonds (distance) C4'-P energy: -26.894
bonds (distance) P-C4' energy: -29.288
flat angles C4'-P-C4' energy: -23.077
flat angles P-C4'-P energy: -17.917
tors. eta vs tors. theta energy: -15.982
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: 4
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -247.137346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.137346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.137346 (E_RNA)
where:
Base-Base interactions energy: -115.700
where: short stacking energy: -80.276
Base-Backbone interact. energy: -0.762
local terms energy: -130.675352
where:
bonds (distance) C4'-P energy: -33.249
bonds (distance) P-C4' energy: -26.339
flat angles C4'-P-C4' energy: -30.492
flat angles P-C4'-P energy: -19.759
tors. eta vs tors. theta energy: -20.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -164.155048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.155048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.155048 (E_RNA)
where:
Base-Base interactions energy: -52.667
where: short stacking energy: -48.073
Base-Backbone interact. energy: 0.178
local terms energy: -111.665614
where:
bonds (distance) C4'-P energy: -23.722
bonds (distance) P-C4' energy: -31.284
flat angles C4'-P-C4' energy: -27.007
flat angles P-C4'-P energy: -22.291
tors. eta vs tors. theta energy: -7.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -156.208015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.208015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.208015 (E_RNA)
where:
Base-Base interactions energy: -70.294
where: short stacking energy: -65.966
Base-Backbone interact. energy: -0.493
local terms energy: -85.420740
where:
bonds (distance) C4'-P energy: -20.605
bonds (distance) P-C4' energy: -29.956
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -15.561
tors. eta vs tors. theta energy: -3.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -544.392692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.392692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.392692 (E_RNA)
where:
Base-Base interactions energy: -369.930
where: short stacking energy: -162.006
Base-Backbone interact. energy: -0.284
local terms energy: -174.178342
where:
bonds (distance) C4'-P energy: -34.648
bonds (distance) P-C4' energy: -31.768
flat angles C4'-P-C4' energy: -32.963
flat angles P-C4'-P energy: -27.129
tors. eta vs tors. theta energy: -47.671
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: 2, replica: 6
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -532.486030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.486030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.486030 (E_RNA)
where:
Base-Base interactions energy: -352.714
where: short stacking energy: -166.867
Base-Backbone interact. energy: -0.157
local terms energy: -179.614886
where:
bonds (distance) C4'-P energy: -33.609
bonds (distance) P-C4' energy: -37.254
flat angles C4'-P-C4' energy: -36.113
flat angles P-C4'-P energy: -21.568
tors. eta vs tors. theta energy: -51.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -472.048422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.048422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.048422 (E_RNA)
where:
Base-Base interactions energy: -297.712
where: short stacking energy: -137.014
Base-Backbone interact. energy: -1.368
local terms energy: -172.967590
where:
bonds (distance) C4'-P energy: -31.270
bonds (distance) P-C4' energy: -33.688
flat angles C4'-P-C4' energy: -38.770
flat angles P-C4'-P energy: -27.192
tors. eta vs tors. theta energy: -42.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -437.605075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.605075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.605075 (E_RNA)
where:
Base-Base interactions energy: -301.896
where: short stacking energy: -149.528
Base-Backbone interact. energy: -0.460
local terms energy: -135.248819
where:
bonds (distance) C4'-P energy: -17.321
bonds (distance) P-C4' energy: -33.129
flat angles C4'-P-C4' energy: -28.986
flat angles P-C4'-P energy: -15.748
tors. eta vs tors. theta energy: -40.065
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: 10
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -393.683103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.683103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.683103 (E_RNA)
where:
Base-Base interactions energy: -263.853
where: short stacking energy: -117.471
Base-Backbone interact. energy: -0.939
local terms energy: -128.890827
where:
bonds (distance) C4'-P energy: -31.028
bonds (distance) P-C4' energy: -15.852
flat angles C4'-P-C4' energy: -37.448
flat angles P-C4'-P energy: -20.425
tors. eta vs tors. theta energy: -24.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -355.006383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.006383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.006383 (E_RNA)
where:
Base-Base interactions energy: -218.583
where: short stacking energy: -94.690
Base-Backbone interact. energy: -0.759
local terms energy: -135.664502
where:
bonds (distance) C4'-P energy: -36.283
bonds (distance) P-C4' energy: -26.727
flat angles C4'-P-C4' energy: -27.154
flat angles P-C4'-P energy: -18.018
tors. eta vs tors. theta energy: -27.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -303.817013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.817013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.817013 (E_RNA)
where:
Base-Base interactions energy: -192.688
where: short stacking energy: -84.136
Base-Backbone interact. energy: -1.689
local terms energy: -109.439605
where:
bonds (distance) C4'-P energy: -18.058
bonds (distance) P-C4' energy: -32.232
flat angles C4'-P-C4' energy: -24.738
flat angles P-C4'-P energy: -18.015
tors. eta vs tors. theta energy: -16.397
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: 8, replica: 4
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -159.771153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.771153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.771153 (E_RNA)
where:
Base-Base interactions energy: -63.108
where: short stacking energy: -46.268
Base-Backbone interact. energy: -0.611
local terms energy: -96.052576
where:
bonds (distance) C4'-P energy: -31.716
bonds (distance) P-C4' energy: -29.381
flat angles C4'-P-C4' energy: -9.454
flat angles P-C4'-P energy: -17.665
tors. eta vs tors. theta energy: -7.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -161.856473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.856473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.856473 (E_RNA)
where:
Base-Base interactions energy: -72.277
where: short stacking energy: -51.928
Base-Backbone interact. energy: -1.044
local terms energy: -88.535289
where:
bonds (distance) C4'-P energy: -24.064
bonds (distance) P-C4' energy: -23.863
flat angles C4'-P-C4' energy: -22.935
flat angles P-C4'-P energy: -16.749
tors. eta vs tors. theta energy: -0.924
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: 3
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -160.595297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.595297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.595297 (E_RNA)
where:
Base-Base interactions energy: -48.004
where: short stacking energy: -48.004
Base-Backbone interact. energy: -0.564
local terms energy: -112.027241
where:
bonds (distance) C4'-P energy: -33.567
bonds (distance) P-C4' energy: -30.070
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -20.797
tors. eta vs tors. theta energy: -4.098
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: 1, replica: 6
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -551.258687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.258687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.258687 (E_RNA)
where:
Base-Base interactions energy: -372.007
where: short stacking energy: -175.181
Base-Backbone interact. energy: -0.013
local terms energy: -179.239552
where:
bonds (distance) C4'-P energy: -32.209
bonds (distance) P-C4' energy: -31.818
flat angles C4'-P-C4' energy: -38.951
flat angles P-C4'-P energy: -24.519
tors. eta vs tors. theta energy: -51.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -532.559498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.559498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.559498 (E_RNA)
where:
Base-Base interactions energy: -379.430
where: short stacking energy: -168.247
Base-Backbone interact. energy: -0.718
local terms energy: -152.411719
where:
bonds (distance) C4'-P energy: -29.775
bonds (distance) P-C4' energy: -26.145
flat angles C4'-P-C4' energy: -30.887
flat angles P-C4'-P energy: -21.674
tors. eta vs tors. theta energy: -43.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -471.405113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.405113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.405113 (E_RNA)
where:
Base-Base interactions energy: -305.975
where: short stacking energy: -158.379
Base-Backbone interact. energy: -1.906
local terms energy: -163.523765
where:
bonds (distance) C4'-P energy: -23.327
bonds (distance) P-C4' energy: -35.420
flat angles C4'-P-C4' energy: -33.705
flat angles P-C4'-P energy: -24.760
tors. eta vs tors. theta energy: -46.311
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: 5
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -448.629435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.629435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.629435 (E_RNA)
where:
Base-Base interactions energy: -287.878
where: short stacking energy: -149.390
Base-Backbone interact. energy: -1.465
local terms energy: -159.286170
where:
bonds (distance) C4'-P energy: -31.248
bonds (distance) P-C4' energy: -28.284
flat angles C4'-P-C4' energy: -30.510
flat angles P-C4'-P energy: -25.607
tors. eta vs tors. theta energy: -43.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -401.387462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.387462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.387462 (E_RNA)
where:
Base-Base interactions energy: -263.022
where: short stacking energy: -126.641
Base-Backbone interact. energy: -0.327
local terms energy: -138.038713
where:
bonds (distance) C4'-P energy: -25.345
bonds (distance) P-C4' energy: -32.922
flat angles C4'-P-C4' energy: -33.301
flat angles P-C4'-P energy: -18.619
tors. eta vs tors. theta energy: -27.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -360.148024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.148024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.148024 (E_RNA)
where:
Base-Base interactions energy: -226.219
where: short stacking energy: -122.665
Base-Backbone interact. energy: -0.696
local terms energy: -133.233802
where:
bonds (distance) C4'-P energy: -33.687
bonds (distance) P-C4' energy: -34.362
flat angles C4'-P-C4' energy: -26.573
flat angles P-C4'-P energy: -12.665
tors. eta vs tors. theta energy: -25.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -348.365260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.365260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.365260 (E_RNA)
where:
Base-Base interactions energy: -210.545
where: short stacking energy: -104.678
Base-Backbone interact. energy: -1.832
local terms energy: -135.988163
where:
bonds (distance) C4'-P energy: -30.686
bonds (distance) P-C4' energy: -36.356
flat angles C4'-P-C4' energy: -20.779
flat angles P-C4'-P energy: -21.186
tors. eta vs tors. theta energy: -26.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -170.687837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.687837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.687837 (E_RNA)
where:
Base-Base interactions energy: -64.735
where: short stacking energy: -56.632
Base-Backbone interact. energy: -0.260
local terms energy: -105.693216
where:
bonds (distance) C4'-P energy: -30.149
bonds (distance) P-C4' energy: -25.880
flat angles C4'-P-C4' energy: -30.241
flat angles P-C4'-P energy: -17.797
tors. eta vs tors. theta energy: -1.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -157.963243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.963243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.963243 (E_RNA)
where:
Base-Base interactions energy: -64.325
where: short stacking energy: -37.062
Base-Backbone interact. energy: -0.331
local terms energy: -93.307638
where:
bonds (distance) C4'-P energy: -26.422
bonds (distance) P-C4' energy: -26.502
flat angles C4'-P-C4' energy: -28.225
flat angles P-C4'-P energy: -16.379
tors. eta vs tors. theta energy: 4.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -156.788866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.788866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.788866 (E_RNA)
where:
Base-Base interactions energy: -63.009
where: short stacking energy: -60.718
Base-Backbone interact. energy: -0.265
local terms energy: -93.514980
where:
bonds (distance) C4'-P energy: -22.961
bonds (distance) P-C4' energy: -23.706
flat angles C4'-P-C4' energy: -27.753
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -9.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -539.478017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.478017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.478017 (E_RNA)
where:
Base-Base interactions energy: -356.623
where: short stacking energy: -165.787
Base-Backbone interact. energy: 0.649
local terms energy: -183.504189
where:
bonds (distance) C4'-P energy: -34.117
bonds (distance) P-C4' energy: -33.677
flat angles C4'-P-C4' energy: -36.666
flat angles P-C4'-P energy: -26.594
tors. eta vs tors. theta energy: -52.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -539.261474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.261474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.261474 (E_RNA)
where:
Base-Base interactions energy: -371.793
where: short stacking energy: -159.003
Base-Backbone interact. energy: -1.069
local terms energy: -166.399680
where:
bonds (distance) C4'-P energy: -30.530
bonds (distance) P-C4' energy: -26.876
flat angles C4'-P-C4' energy: -38.643
flat angles P-C4'-P energy: -25.667
tors. eta vs tors. theta energy: -44.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -456.087140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.087140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.087140 (E_RNA)
where:
Base-Base interactions energy: -299.270
where: short stacking energy: -143.470
Base-Backbone interact. energy: -0.882
local terms energy: -155.935192
where:
bonds (distance) C4'-P energy: -28.350
bonds (distance) P-C4' energy: -32.274
flat angles C4'-P-C4' energy: -35.741
flat angles P-C4'-P energy: -21.852
tors. eta vs tors. theta energy: -37.718
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: 4, replica: 5
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -448.166791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.166791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.166791 (E_RNA)
where:
Base-Base interactions energy: -293.899
where: short stacking energy: -137.100
Base-Backbone interact. energy: -0.119
local terms energy: -154.148540
where:
bonds (distance) C4'-P energy: -33.124
bonds (distance) P-C4' energy: -30.559
flat angles C4'-P-C4' energy: -33.807
flat angles P-C4'-P energy: -17.135
tors. eta vs tors. theta energy: -39.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -398.306735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.306735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.306735 (E_RNA)
where:
Base-Base interactions energy: -271.663
where: short stacking energy: -126.660
Base-Backbone interact. energy: -0.383
local terms energy: -126.261135
where:
bonds (distance) C4'-P energy: -24.053
bonds (distance) P-C4' energy: -26.904
flat angles C4'-P-C4' energy: -26.254
flat angles P-C4'-P energy: -17.017
tors. eta vs tors. theta energy: -32.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -346.216897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.216897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.216897 (E_RNA)
where:
Base-Base interactions energy: -206.750
where: short stacking energy: -104.729
Base-Backbone interact. energy: -0.439
local terms energy: -139.028318
where:
bonds (distance) C4'-P energy: -28.159
bonds (distance) P-C4' energy: -28.075
flat angles C4'-P-C4' energy: -30.314
flat angles P-C4'-P energy: -21.183
tors. eta vs tors. theta energy: -31.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -321.411777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.411777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.411777 (E_RNA)
where:
Base-Base interactions energy: -198.365
where: short stacking energy: -96.438
Base-Backbone interact. energy: 1.078
local terms energy: -124.124450
where:
bonds (distance) C4'-P energy: -30.178
bonds (distance) P-C4' energy: -27.146
flat angles C4'-P-C4' energy: -30.041
flat angles P-C4'-P energy: -16.818
tors. eta vs tors. theta energy: -19.941
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: 9
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -186.214154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.214154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.214154 (E_RNA)
where:
Base-Base interactions energy: -81.771
where: short stacking energy: -74.947
Base-Backbone interact. energy: -0.585
local terms energy: -103.857562
where:
bonds (distance) C4'-P energy: -28.606
bonds (distance) P-C4' energy: -24.588
flat angles C4'-P-C4' energy: -27.890
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -11.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -153.195945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.195945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.195945 (E_RNA)
where:
Base-Base interactions energy: -59.444
where: short stacking energy: -47.949
Base-Backbone interact. energy: 1.336
local terms energy: -95.087435
where:
bonds (distance) C4'-P energy: -28.810
bonds (distance) P-C4' energy: -28.986
flat angles C4'-P-C4' energy: -20.359
flat angles P-C4'-P energy: -17.662
tors. eta vs tors. theta energy: 0.730
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: 3
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -158.406158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.406158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.406158 (E_RNA)
where:
Base-Base interactions energy: -55.525
where: short stacking energy: -53.148
Base-Backbone interact. energy: -1.645
local terms energy: -101.236099
where:
bonds (distance) C4'-P energy: -19.807
bonds (distance) P-C4' energy: -29.681
flat angles C4'-P-C4' energy: -32.206
flat angles P-C4'-P energy: -16.675
tors. eta vs tors. theta energy: -2.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -546.483872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.483872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.483872 (E_RNA)
where:
Base-Base interactions energy: -378.604
where: short stacking energy: -160.377
Base-Backbone interact. energy: -1.653
local terms energy: -166.227728
where:
bonds (distance) C4'-P energy: -31.574
bonds (distance) P-C4' energy: -30.471
flat angles C4'-P-C4' energy: -34.389
flat angles P-C4'-P energy: -24.997
tors. eta vs tors. theta energy: -44.797
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: 6
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -518.524497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.524497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.524497 (E_RNA)
where:
Base-Base interactions energy: -353.432
where: short stacking energy: -163.233
Base-Backbone interact. energy: -0.020
local terms energy: -165.073214
where:
bonds (distance) C4'-P energy: -32.348
bonds (distance) P-C4' energy: -30.601
flat angles C4'-P-C4' energy: -31.092
flat angles P-C4'-P energy: -22.997
tors. eta vs tors. theta energy: -48.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -478.439093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.439093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.439093 (E_RNA)
where:
Base-Base interactions energy: -306.498
where: short stacking energy: -147.229
Base-Backbone interact. energy: -0.729
local terms energy: -171.211882
where:
bonds (distance) C4'-P energy: -30.127
bonds (distance) P-C4' energy: -32.934
flat angles C4'-P-C4' energy: -33.923
flat angles P-C4'-P energy: -29.413
tors. eta vs tors. theta energy: -44.814
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: 7
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -440.626186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.626186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.626186 (E_RNA)
where:
Base-Base interactions energy: -296.292
where: short stacking energy: -133.535
Base-Backbone interact. energy: 0.013
local terms energy: -144.347542
where:
bonds (distance) C4'-P energy: -27.141
bonds (distance) P-C4' energy: -25.915
flat angles C4'-P-C4' energy: -35.951
flat angles P-C4'-P energy: -21.724
tors. eta vs tors. theta energy: -33.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -381.093095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.093095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.093095 (E_RNA)
where:
Base-Base interactions energy: -241.293
where: short stacking energy: -121.613
Base-Backbone interact. energy: 1.345
local terms energy: -141.145100
where:
bonds (distance) C4'-P energy: -28.821
bonds (distance) P-C4' energy: -35.148
flat angles C4'-P-C4' energy: -31.041
flat angles P-C4'-P energy: -22.017
tors. eta vs tors. theta energy: -24.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -382.599854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.599854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.599854 (E_RNA)
where:
Base-Base interactions energy: -249.897
where: short stacking energy: -119.849
Base-Backbone interact. energy: -1.798
local terms energy: -130.905432
where:
bonds (distance) C4'-P energy: -29.770
bonds (distance) P-C4' energy: -24.031
flat angles C4'-P-C4' energy: -28.274
flat angles P-C4'-P energy: -25.283
tors. eta vs tors. theta energy: -23.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -333.902697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.902697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.902697 (E_RNA)
where:
Base-Base interactions energy: -222.322
where: short stacking energy: -111.840
Base-Backbone interact. energy: 2.020
local terms energy: -113.601129
where:
bonds (distance) C4'-P energy: -27.939
bonds (distance) P-C4' energy: -25.028
flat angles C4'-P-C4' energy: -19.849
flat angles P-C4'-P energy: -15.461
tors. eta vs tors. theta energy: -25.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -170.605418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.605418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.605418 (E_RNA)
where:
Base-Base interactions energy: -83.843
where: short stacking energy: -55.842
Base-Backbone interact. energy: -0.193
local terms energy: -86.569130
where:
bonds (distance) C4'-P energy: -24.555
bonds (distance) P-C4' energy: -29.022
flat angles C4'-P-C4' energy: -23.037
flat angles P-C4'-P energy: -16.521
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: 9, replica: 4
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -196.149819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.149819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.149819 (E_RNA)
where:
Base-Base interactions energy: -85.687
where: short stacking energy: -71.718
Base-Backbone interact. energy: 2.157
local terms energy: -112.619956
where:
bonds (distance) C4'-P energy: -29.104
bonds (distance) P-C4' energy: -31.558
flat angles C4'-P-C4' energy: -20.090
flat angles P-C4'-P energy: -18.280
tors. eta vs tors. theta energy: -13.587
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: 10, replica: 3
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -173.665564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.665564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.665564 (E_RNA)
where:
Base-Base interactions energy: -73.923
where: short stacking energy: -58.088
Base-Backbone interact. energy: -0.980
local terms energy: -98.762784
where:
bonds (distance) C4'-P energy: -27.525
bonds (distance) P-C4' energy: -27.525
flat angles C4'-P-C4' energy: -25.172
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -7.717
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: 2
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -543.639829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.639829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.639829 (E_RNA)
where:
Base-Base interactions energy: -370.891
where: short stacking energy: -163.531
Base-Backbone interact. energy: -1.400
local terms energy: -171.348310
where:
bonds (distance) C4'-P energy: -32.295
bonds (distance) P-C4' energy: -32.100
flat angles C4'-P-C4' energy: -36.893
flat angles P-C4'-P energy: -23.731
tors. eta vs tors. theta energy: -46.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -510.167268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.167268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.167268 (E_RNA)
where:
Base-Base interactions energy: -343.873
where: short stacking energy: -143.563
Base-Backbone interact. energy: -0.037
local terms energy: -166.257209
where:
bonds (distance) C4'-P energy: -33.581
bonds (distance) P-C4' energy: -31.209
flat angles C4'-P-C4' energy: -33.542
flat angles P-C4'-P energy: -22.820
tors. eta vs tors. theta energy: -45.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -465.226636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.226636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.226636 (E_RNA)
where:
Base-Base interactions energy: -312.640
where: short stacking energy: -136.146
Base-Backbone interact. energy: -1.683
local terms energy: -150.904140
where:
bonds (distance) C4'-P energy: -26.095
bonds (distance) P-C4' energy: -35.804
flat angles C4'-P-C4' energy: -34.059
flat angles P-C4'-P energy: -18.475
tors. eta vs tors. theta energy: -36.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -426.805233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.805233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.805233 (E_RNA)
where:
Base-Base interactions energy: -286.218
where: short stacking energy: -140.997
Base-Backbone interact. energy: -2.881
local terms energy: -137.706796
where:
bonds (distance) C4'-P energy: -26.098
bonds (distance) P-C4' energy: -24.431
flat angles C4'-P-C4' energy: -26.261
flat angles P-C4'-P energy: -26.557
tors. eta vs tors. theta energy: -34.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -350.262457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.262457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.262457 (E_RNA)
where:
Base-Base interactions energy: -221.756
where: short stacking energy: -87.057
Base-Backbone interact. energy: 0.011
local terms energy: -128.517739
where:
bonds (distance) C4'-P energy: -30.073
bonds (distance) P-C4' energy: -27.879
flat angles C4'-P-C4' energy: -31.330
flat angles P-C4'-P energy: -18.368
tors. eta vs tors. theta energy: -20.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -366.241718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.241718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.241718 (E_RNA)
where:
Base-Base interactions energy: -226.169
where: short stacking energy: -109.050
Base-Backbone interact. energy: -0.317
local terms energy: -139.755878
where:
bonds (distance) C4'-P energy: -31.006
bonds (distance) P-C4' energy: -35.776
flat angles C4'-P-C4' energy: -26.091
flat angles P-C4'-P energy: -21.131
tors. eta vs tors. theta energy: -25.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -342.616065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.616065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.616065 (E_RNA)
where:
Base-Base interactions energy: -212.622
where: short stacking energy: -106.759
Base-Backbone interact. energy: -0.186
local terms energy: -129.807355
where:
bonds (distance) C4'-P energy: -28.666
bonds (distance) P-C4' energy: -23.060
flat angles C4'-P-C4' energy: -30.112
flat angles P-C4'-P energy: -23.574
tors. eta vs tors. theta energy: -24.394
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: 9
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -190.553019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.553019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.553019 (E_RNA)
where:
Base-Base interactions energy: -79.683
where: short stacking energy: -62.586
Base-Backbone interact. energy: 1.395
local terms energy: -112.265564
where:
bonds (distance) C4'-P energy: -32.644
bonds (distance) P-C4' energy: -32.433
flat angles C4'-P-C4' energy: -34.054
flat angles P-C4'-P energy: -3.012
tors. eta vs tors. theta energy: -10.123
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: 4
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -176.494405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.494405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.494405 (E_RNA)
where:
Base-Base interactions energy: -66.537
where: short stacking energy: -60.962
Base-Backbone interact. energy: -1.817
local terms energy: -108.140161
where:
bonds (distance) C4'-P energy: -25.221
bonds (distance) P-C4' energy: -22.536
flat angles C4'-P-C4' energy: -33.553
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -16.565
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: 3
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -143.346564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.346564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.346564 (E_RNA)
where:
Base-Base interactions energy: -56.918
where: short stacking energy: -55.618
Base-Backbone interact. energy: -0.056
local terms energy: -86.372650
where:
bonds (distance) C4'-P energy: -27.990
bonds (distance) P-C4' energy: -23.008
flat angles C4'-P-C4' energy: -20.888
flat angles P-C4'-P energy: -12.043
tors. eta vs tors. theta energy: -2.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -556.861310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.861310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.861310 (E_RNA)
where:
Base-Base interactions energy: -381.802
where: short stacking energy: -165.173
Base-Backbone interact. energy: -1.594
local terms energy: -173.464764
where:
bonds (distance) C4'-P energy: -30.690
bonds (distance) P-C4' energy: -30.461
flat angles C4'-P-C4' energy: -39.595
flat angles P-C4'-P energy: -21.643
tors. eta vs tors. theta energy: -51.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -527.738754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.738754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.738754 (E_RNA)
where:
Base-Base interactions energy: -357.941
where: short stacking energy: -164.371
Base-Backbone interact. energy: -0.309
local terms energy: -169.488887
where:
bonds (distance) C4'-P energy: -34.425
bonds (distance) P-C4' energy: -26.079
flat angles C4'-P-C4' energy: -35.084
flat angles P-C4'-P energy: -24.404
tors. eta vs tors. theta energy: -49.497
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: 7
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -455.000546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.000546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.000546 (E_RNA)
where:
Base-Base interactions energy: -302.356
where: short stacking energy: -133.316
Base-Backbone interact. energy: 0.323
local terms energy: -152.968056
where:
bonds (distance) C4'-P energy: -27.567
bonds (distance) P-C4' energy: -30.902
flat angles C4'-P-C4' energy: -37.048
flat angles P-C4'-P energy: -18.661
tors. eta vs tors. theta energy: -38.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -424.306818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.306818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.306818 (E_RNA)
where:
Base-Base interactions energy: -270.469
where: short stacking energy: -131.930
Base-Backbone interact. energy: -0.689
local terms energy: -153.148499
where:
bonds (distance) C4'-P energy: -30.951
bonds (distance) P-C4' energy: -31.487
flat angles C4'-P-C4' energy: -31.507
flat angles P-C4'-P energy: -23.095
tors. eta vs tors. theta energy: -36.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -386.924671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.924671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.924671 (E_RNA)
where:
Base-Base interactions energy: -264.076
where: short stacking energy: -127.196
Base-Backbone interact. energy: -1.239
local terms energy: -121.610015
where:
bonds (distance) C4'-P energy: -23.637
bonds (distance) P-C4' energy: -30.386
flat angles C4'-P-C4' energy: -20.064
flat angles P-C4'-P energy: -20.221
tors. eta vs tors. theta energy: -27.303
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: 1
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -362.227312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.227312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.227312 (E_RNA)
where:
Base-Base interactions energy: -227.828
where: short stacking energy: -100.888
Base-Backbone interact. energy: -1.858
local terms energy: -132.542193
where:
bonds (distance) C4'-P energy: -24.985
bonds (distance) P-C4' energy: -31.014
flat angles C4'-P-C4' energy: -25.295
flat angles P-C4'-P energy: -25.900
tors. eta vs tors. theta energy: -25.348
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: 54
Temperature: 1.200000
Total energy: -342.746644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.746644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.746644 (E_RNA)
where:
Base-Base interactions energy: -205.501
where: short stacking energy: -109.928
Base-Backbone interact. energy: -0.075
local terms energy: -137.171014
where:
bonds (distance) C4'-P energy: -25.131
bonds (distance) P-C4' energy: -30.997
flat angles C4'-P-C4' energy: -33.343
flat angles P-C4'-P energy: -18.616
tors. eta vs tors. theta energy: -29.084
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: 9
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -184.673714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.673714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.673714 (E_RNA)
where:
Base-Base interactions energy: -73.376
where: short stacking energy: -71.099
Base-Backbone interact. energy: -0.297
local terms energy: -111.001095
where:
bonds (distance) C4'-P energy: -26.383
bonds (distance) P-C4' energy: -33.479
flat angles C4'-P-C4' energy: -19.743
flat angles P-C4'-P energy: -13.932
tors. eta vs tors. theta energy: -17.464
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: 3
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -152.992692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.992692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.992692 (E_RNA)
where:
Base-Base interactions energy: -68.801
where: short stacking energy: -63.355
Base-Backbone interact. energy: -0.304
local terms energy: -83.887463
where:
bonds (distance) C4'-P energy: -26.033
bonds (distance) P-C4' energy: -16.953
flat angles C4'-P-C4' energy: -20.491
flat angles P-C4'-P energy: -14.184
tors. eta vs tors. theta energy: -6.225
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: 10, replica: 4
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -144.997988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.997988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.997988 (E_RNA)
where:
Base-Base interactions energy: -60.787
where: short stacking energy: -43.156
Base-Backbone interact. energy: 0.024
local terms energy: -84.234715
where:
bonds (distance) C4'-P energy: -29.927
bonds (distance) P-C4' energy: -29.632
flat angles C4'-P-C4' energy: -20.694
flat angles P-C4'-P energy: -13.044
tors. eta vs tors. theta energy: 9.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -547.906308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.906308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.906308 (E_RNA)
where:
Base-Base interactions energy: -377.941
where: short stacking energy: -165.995
Base-Backbone interact. energy: 0.953
local terms energy: -170.917651
where:
bonds (distance) C4'-P energy: -34.594
bonds (distance) P-C4' energy: -29.382
flat angles C4'-P-C4' energy: -34.794
flat angles P-C4'-P energy: -24.594
tors. eta vs tors. theta energy: -47.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -521.408917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.408917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.408917 (E_RNA)
where:
Base-Base interactions energy: -354.829
where: short stacking energy: -159.259
Base-Backbone interact. energy: -0.061
local terms energy: -166.519091
where:
bonds (distance) C4'-P energy: -31.837
bonds (distance) P-C4' energy: -28.155
flat angles C4'-P-C4' energy: -29.910
flat angles P-C4'-P energy: -28.425
tors. eta vs tors. theta energy: -48.192
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: 3, replica: 7
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -451.227496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.227496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.227496 (E_RNA)
where:
Base-Base interactions energy: -297.573
where: short stacking energy: -141.415
Base-Backbone interact. energy: 0.276
local terms energy: -153.930965
where:
bonds (distance) C4'-P energy: -30.915
bonds (distance) P-C4' energy: -32.087
flat angles C4'-P-C4' energy: -32.902
flat angles P-C4'-P energy: -17.608
tors. eta vs tors. theta energy: -40.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -418.473583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.473583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.473583 (E_RNA)
where:
Base-Base interactions energy: -279.316
where: short stacking energy: -135.712
Base-Backbone interact. energy: -0.450
local terms energy: -138.707350
where:
bonds (distance) C4'-P energy: -25.909
bonds (distance) P-C4' energy: -36.110
flat angles C4'-P-C4' energy: -23.875
flat angles P-C4'-P energy: -15.317
tors. eta vs tors. theta energy: -37.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -400.736236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.736236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.736236 (E_RNA)
where:
Base-Base interactions energy: -262.542
where: short stacking energy: -128.089
Base-Backbone interact. energy: -0.271
local terms energy: -137.923313
where:
bonds (distance) C4'-P energy: -29.542
bonds (distance) P-C4' energy: -27.292
flat angles C4'-P-C4' energy: -28.647
flat angles P-C4'-P energy: -17.538
tors. eta vs tors. theta energy: -34.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -369.045274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.045274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.045274 (E_RNA)
where:
Base-Base interactions energy: -244.390
where: short stacking energy: -116.580
Base-Backbone interact. energy: -1.344
local terms energy: -123.310707
where:
bonds (distance) C4'-P energy: -29.122
bonds (distance) P-C4' energy: -30.088
flat angles C4'-P-C4' energy: -24.434
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -30.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -336.846146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.846146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.846146 (E_RNA)
where:
Base-Base interactions energy: -212.593
where: short stacking energy: -85.649
Base-Backbone interact. energy: -0.979
local terms energy: -123.274730
where:
bonds (distance) C4'-P energy: -23.581
bonds (distance) P-C4' energy: -31.931
flat angles C4'-P-C4' energy: -28.168
flat angles P-C4'-P energy: -22.527
tors. eta vs tors. theta energy: -17.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -190.006201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.006201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.006201 (E_RNA)
where:
Base-Base interactions energy: -76.324
where: short stacking energy: -67.521
Base-Backbone interact. energy: -0.318
local terms energy: -113.364892
where:
bonds (distance) C4'-P energy: -27.511
bonds (distance) P-C4' energy: -30.593
flat angles C4'-P-C4' energy: -25.801
flat angles P-C4'-P energy: -19.542
tors. eta vs tors. theta energy: -9.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -166.114684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.114684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.114684 (E_RNA)
where:
Base-Base interactions energy: -75.342
where: short stacking energy: -55.014
Base-Backbone interact. energy: -0.316
local terms energy: -90.456715
where:
bonds (distance) C4'-P energy: -26.202
bonds (distance) P-C4' energy: -28.172
flat angles C4'-P-C4' energy: -20.917
flat angles P-C4'-P energy: -16.742
tors. eta vs tors. theta energy: 1.576
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: 4
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -146.656709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.656709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.656709 (E_RNA)
where:
Base-Base interactions energy: -64.039
where: short stacking energy: -40.780
Base-Backbone interact. energy: -0.719
local terms energy: -81.898973
where:
bonds (distance) C4'-P energy: -23.308
bonds (distance) P-C4' energy: -34.332
flat angles C4'-P-C4' energy: -15.972
flat angles P-C4'-P energy: -17.628
tors. eta vs tors. theta energy: 9.340
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: 2
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -556.975593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.975593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.975593 (E_RNA)
where:
Base-Base interactions energy: -385.235
where: short stacking energy: -166.705
Base-Backbone interact. energy: -1.286
local terms energy: -170.454915
where:
bonds (distance) C4'-P energy: -28.741
bonds (distance) P-C4' energy: -31.479
flat angles C4'-P-C4' energy: -35.702
flat angles P-C4'-P energy: -25.352
tors. eta vs tors. theta energy: -49.181
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: 6
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -522.756356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.756356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.756356 (E_RNA)
where:
Base-Base interactions energy: -345.976
where: short stacking energy: -171.850
Base-Backbone interact. energy: -0.137
local terms energy: -176.643319
where:
bonds (distance) C4'-P energy: -31.821
bonds (distance) P-C4' energy: -33.959
flat angles C4'-P-C4' energy: -35.085
flat angles P-C4'-P energy: -24.003
tors. eta vs tors. theta energy: -51.776
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: 3, replica: 7
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -477.311261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.311261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.311261 (E_RNA)
where:
Base-Base interactions energy: -312.788
where: short stacking energy: -155.452
Base-Backbone interact. energy: -0.217
local terms energy: -164.305531
where:
bonds (distance) C4'-P energy: -34.019
bonds (distance) P-C4' energy: -25.073
flat angles C4'-P-C4' energy: -37.196
flat angles P-C4'-P energy: -19.721
tors. eta vs tors. theta energy: -48.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -431.961964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.961964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.961964 (E_RNA)
where:
Base-Base interactions energy: -284.677
where: short stacking energy: -137.627
Base-Backbone interact. energy: -0.672
local terms energy: -146.613043
where:
bonds (distance) C4'-P energy: -27.523
bonds (distance) P-C4' energy: -31.848
flat angles C4'-P-C4' energy: -28.229
flat angles P-C4'-P energy: -23.555
tors. eta vs tors. theta energy: -35.458
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: 1
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -374.419114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.419114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.419114 (E_RNA)
where:
Base-Base interactions energy: -241.924
where: short stacking energy: -120.832
Base-Backbone interact. energy: -0.467
local terms energy: -132.028411
where:
bonds (distance) C4'-P energy: -20.811
bonds (distance) P-C4' energy: -34.080
flat angles C4'-P-C4' energy: -32.343
flat angles P-C4'-P energy: -21.903
tors. eta vs tors. theta energy: -22.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -387.947204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.947204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.947204 (E_RNA)
where:
Base-Base interactions energy: -243.354
where: short stacking energy: -115.733
Base-Backbone interact. energy: -1.868
local terms energy: -142.725113
where:
bonds (distance) C4'-P energy: -28.324
bonds (distance) P-C4' energy: -36.872
flat angles C4'-P-C4' energy: -35.403
flat angles P-C4'-P energy: -16.293
tors. eta vs tors. theta energy: -25.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -346.209528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.209528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.209528 (E_RNA)
where:
Base-Base interactions energy: -212.083
where: short stacking energy: -126.370
Base-Backbone interact. energy: -1.493
local terms energy: -132.634120
where:
bonds (distance) C4'-P energy: -33.610
bonds (distance) P-C4' energy: -24.134
flat angles C4'-P-C4' energy: -21.866
flat angles P-C4'-P energy: -16.453
tors. eta vs tors. theta energy: -36.572
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: 3
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -194.440191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.440191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.440191 (E_RNA)
where:
Base-Base interactions energy: -75.410
where: short stacking energy: -75.410
Base-Backbone interact. energy: -0.517
local terms energy: -118.513378
where:
bonds (distance) C4'-P energy: -27.570
bonds (distance) P-C4' energy: -28.141
flat angles C4'-P-C4' energy: -28.627
flat angles P-C4'-P energy: -20.730
tors. eta vs tors. theta energy: -13.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -145.571228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.571228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.571228 (E_RNA)
where:
Base-Base interactions energy: -61.914
where: short stacking energy: -50.000
Base-Backbone interact. energy: -0.357
local terms energy: -83.300531
where:
bonds (distance) C4'-P energy: -25.433
bonds (distance) P-C4' energy: -24.573
flat angles C4'-P-C4' energy: -26.457
flat angles P-C4'-P energy: -14.496
tors. eta vs tors. theta energy: 7.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -149.086184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.086184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.086184 (E_RNA)
where:
Base-Base interactions energy: -56.535
where: short stacking energy: -43.232
Base-Backbone interact. energy: 0.323
local terms energy: -92.873966
where:
bonds (distance) C4'-P energy: -32.446
bonds (distance) P-C4' energy: -25.085
flat angles C4'-P-C4' energy: -21.538
flat angles P-C4'-P energy: -18.897
tors. eta vs tors. theta energy: 5.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -547.540189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.540189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.540189 (E_RNA)
where:
Base-Base interactions energy: -376.065
where: short stacking energy: -163.280
Base-Backbone interact. energy: -0.374
local terms energy: -171.100625
where:
bonds (distance) C4'-P energy: -34.400
bonds (distance) P-C4' energy: -32.547
flat angles C4'-P-C4' energy: -37.555
flat angles P-C4'-P energy: -21.582
tors. eta vs tors. theta energy: -45.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -526.840457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.840457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.840457 (E_RNA)
where:
Base-Base interactions energy: -358.921
where: short stacking energy: -162.649
Base-Backbone interact. energy: -0.515
local terms energy: -167.404153
where:
bonds (distance) C4'-P energy: -32.127
bonds (distance) P-C4' energy: -26.742
flat angles C4'-P-C4' energy: -36.294
flat angles P-C4'-P energy: -22.967
tors. eta vs tors. theta energy: -49.275
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: 7
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -467.974036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.974036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.974036 (E_RNA)
where:
Base-Base interactions energy: -305.070
where: short stacking energy: -148.301
Base-Backbone interact. energy: -1.215
local terms energy: -161.688599
where:
bonds (distance) C4'-P energy: -26.756
bonds (distance) P-C4' energy: -31.811
flat angles C4'-P-C4' energy: -33.076
flat angles P-C4'-P energy: -23.314
tors. eta vs tors. theta energy: -46.731
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: 5
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -442.858257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.858257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.858257 (E_RNA)
where:
Base-Base interactions energy: -282.705
where: short stacking energy: -139.746
Base-Backbone interact. energy: -0.228
local terms energy: -159.925398
where:
bonds (distance) C4'-P energy: -27.975
bonds (distance) P-C4' energy: -36.198
flat angles C4'-P-C4' energy: -33.037
flat angles P-C4'-P energy: -24.965
tors. eta vs tors. theta energy: -37.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -360.050061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.050061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.050061 (E_RNA)
where:
Base-Base interactions energy: -210.263
where: short stacking energy: -109.435
Base-Backbone interact. energy: -1.596
local terms energy: -148.191577
where:
bonds (distance) C4'-P energy: -31.359
bonds (distance) P-C4' energy: -29.836
flat angles C4'-P-C4' energy: -32.288
flat angles P-C4'-P energy: -25.896
tors. eta vs tors. theta energy: -28.813
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: 8
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -352.471918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.471918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.471918 (E_RNA)
where:
Base-Base interactions energy: -218.698
where: short stacking energy: -118.709
Base-Backbone interact. energy: -0.123
local terms energy: -133.650986
where:
bonds (distance) C4'-P energy: -25.979
bonds (distance) P-C4' energy: -35.509
flat angles C4'-P-C4' energy: -25.502
flat angles P-C4'-P energy: -21.136
tors. eta vs tors. theta energy: -25.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -388.901967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.901967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.901967 (E_RNA)
where:
Base-Base interactions energy: -257.362
where: short stacking energy: -112.792
Base-Backbone interact. energy: 1.098
local terms energy: -132.637509
where:
bonds (distance) C4'-P energy: -28.729
bonds (distance) P-C4' energy: -26.015
flat angles C4'-P-C4' energy: -29.296
flat angles P-C4'-P energy: -18.291
tors. eta vs tors. theta energy: -30.307
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: 3
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -160.132263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.132263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.132263 (E_RNA)
where:
Base-Base interactions energy: -51.523
where: short stacking energy: -49.037
Base-Backbone interact. energy: -2.932
local terms energy: -105.677627
where:
bonds (distance) C4'-P energy: -31.378
bonds (distance) P-C4' energy: -26.214
flat angles C4'-P-C4' energy: -21.417
flat angles P-C4'-P energy: -18.197
tors. eta vs tors. theta energy: -8.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -166.688816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.688816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.688816 (E_RNA)
where:
Base-Base interactions energy: -68.204
where: short stacking energy: -62.364
Base-Backbone interact. energy: 0.947
local terms energy: -99.431671
where:
bonds (distance) C4'-P energy: -30.147
bonds (distance) P-C4' energy: -31.661
flat angles C4'-P-C4' energy: -26.796
flat angles P-C4'-P energy: -6.561
tors. eta vs tors. theta energy: -4.266
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: 9
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -164.847594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.847594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.847594 (E_RNA)
where:
Base-Base interactions energy: -77.080
where: short stacking energy: -52.024
Base-Backbone interact. energy: -1.360
local terms energy: -86.407693
where:
bonds (distance) C4'-P energy: -28.943
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -26.121
flat angles P-C4'-P energy: -13.721
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: 6
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -536.932269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.932269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.932269 (E_RNA)
where:
Base-Base interactions energy: -356.546
where: short stacking energy: -168.208
Base-Backbone interact. energy: -1.194
local terms energy: -179.192650
where:
bonds (distance) C4'-P energy: -32.397
bonds (distance) P-C4' energy: -33.099
flat angles C4'-P-C4' energy: -35.152
flat angles P-C4'-P energy: -28.995
tors. eta vs tors. theta energy: -49.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -521.941586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.941586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.941586 (E_RNA)
where:
Base-Base interactions energy: -352.833
where: short stacking energy: -147.423
Base-Backbone interact. energy: -0.271
local terms energy: -168.838076
where:
bonds (distance) C4'-P energy: -31.364
bonds (distance) P-C4' energy: -33.974
flat angles C4'-P-C4' energy: -34.188
flat angles P-C4'-P energy: -24.643
tors. eta vs tors. theta energy: -44.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -450.643905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.643905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.643905 (E_RNA)
where:
Base-Base interactions energy: -303.144
where: short stacking energy: -143.713
Base-Backbone interact. energy: -1.439
local terms energy: -146.060579
where:
bonds (distance) C4'-P energy: -35.586
bonds (distance) P-C4' energy: -22.185
flat angles C4'-P-C4' energy: -27.842
flat angles P-C4'-P energy: -18.812
tors. eta vs tors. theta energy: -41.636
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: 7
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -439.459717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.459717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.459717 (E_RNA)
where:
Base-Base interactions energy: -285.189
where: short stacking energy: -141.677
Base-Backbone interact. energy: -0.282
local terms energy: -153.987967
where:
bonds (distance) C4'-P energy: -28.746
bonds (distance) P-C4' energy: -32.888
flat angles C4'-P-C4' energy: -34.632
flat angles P-C4'-P energy: -21.450
tors. eta vs tors. theta energy: -36.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -361.568622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.568622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.568622 (E_RNA)
where:
Base-Base interactions energy: -223.795
where: short stacking energy: -106.576
Base-Backbone interact. energy: -0.307
local terms energy: -137.466879
where:
bonds (distance) C4'-P energy: -33.041
bonds (distance) P-C4' energy: -23.301
flat angles C4'-P-C4' energy: -29.202
flat angles P-C4'-P energy: -22.756
tors. eta vs tors. theta energy: -29.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -337.870559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.870559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.870559 (E_RNA)
where:
Base-Base interactions energy: -195.180
where: short stacking energy: -99.465
Base-Backbone interact. energy: -0.038
local terms energy: -142.652960
where:
bonds (distance) C4'-P energy: -31.013
bonds (distance) P-C4' energy: -30.462
flat angles C4'-P-C4' energy: -28.729
flat angles P-C4'-P energy: -28.959
tors. eta vs tors. theta energy: -23.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -368.585322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.585322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.585322 (E_RNA)
where:
Base-Base interactions energy: -247.319
where: short stacking energy: -106.562
Base-Backbone interact. energy: 2.281
local terms energy: -123.547328
where:
bonds (distance) C4'-P energy: -29.988
bonds (distance) P-C4' energy: -24.669
flat angles C4'-P-C4' energy: -24.783
flat angles P-C4'-P energy: -16.534
tors. eta vs tors. theta energy: -27.573
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: 3
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -177.304211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.304211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.304211 (E_RNA)
where:
Base-Base interactions energy: -74.317
where: short stacking energy: -70.456
Base-Backbone interact. energy: -0.118
local terms energy: -102.869930
where:
bonds (distance) C4'-P energy: -20.166
bonds (distance) P-C4' energy: -29.503
flat angles C4'-P-C4' energy: -28.957
flat angles P-C4'-P energy: -15.811
tors. eta vs tors. theta energy: -8.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -158.627207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.627207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.627207 (E_RNA)
where:
Base-Base interactions energy: -64.313
where: short stacking energy: -56.938
Base-Backbone interact. energy: 1.794
local terms energy: -96.108880
where:
bonds (distance) C4'-P energy: -32.291
bonds (distance) P-C4' energy: -25.402
flat angles C4'-P-C4' energy: -27.492
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -0.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -161.676837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.676837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.676837 (E_RNA)
where:
Base-Base interactions energy: -89.485
where: short stacking energy: -58.833
Base-Backbone interact. energy: 5.280
local terms energy: -77.472575
where:
bonds (distance) C4'-P energy: -19.984
bonds (distance) P-C4' energy: -26.532
flat angles C4'-P-C4' energy: -21.258
flat angles P-C4'-P energy: -11.945
tors. eta vs tors. theta energy: 2.247
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: 6
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -532.279917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.279917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.279917 (E_RNA)
where:
Base-Base interactions energy: -359.918
where: short stacking energy: -180.506
Base-Backbone interact. energy: -0.005
local terms energy: -172.356418
where:
bonds (distance) C4'-P energy: -24.404
bonds (distance) P-C4' energy: -33.089
flat angles C4'-P-C4' energy: -37.117
flat angles P-C4'-P energy: -26.984
tors. eta vs tors. theta energy: -50.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -529.808825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.808825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.808825 (E_RNA)
where:
Base-Base interactions energy: -365.808
where: short stacking energy: -147.287
Base-Backbone interact. energy: 0.414
local terms energy: -164.414222
where:
bonds (distance) C4'-P energy: -26.658
bonds (distance) P-C4' energy: -36.866
flat angles C4'-P-C4' energy: -28.911
flat angles P-C4'-P energy: -25.856
tors. eta vs tors. theta energy: -46.125
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: 3, replica: 5
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -448.011474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.011474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.011474 (E_RNA)
where:
Base-Base interactions energy: -286.508
where: short stacking energy: -142.023
Base-Backbone interact. energy: -1.089
local terms energy: -160.414623
where:
bonds (distance) C4'-P energy: -31.021
bonds (distance) P-C4' energy: -31.153
flat angles C4'-P-C4' energy: -36.832
flat angles P-C4'-P energy: -24.846
tors. eta vs tors. theta energy: -36.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -453.548602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.548602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.548602 (E_RNA)
where:
Base-Base interactions energy: -298.637
where: short stacking energy: -148.003
Base-Backbone interact. energy: -0.220
local terms energy: -154.692302
where:
bonds (distance) C4'-P energy: -26.119
bonds (distance) P-C4' energy: -28.994
flat angles C4'-P-C4' energy: -34.683
flat angles P-C4'-P energy: -20.198
tors. eta vs tors. theta energy: -44.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -337.800583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.800583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.800583 (E_RNA)
where:
Base-Base interactions energy: -201.806
where: short stacking energy: -94.368
Base-Backbone interact. energy: -0.870
local terms energy: -135.124041
where:
bonds (distance) C4'-P energy: -30.412
bonds (distance) P-C4' energy: -28.760
flat angles C4'-P-C4' energy: -34.937
flat angles P-C4'-P energy: -14.379
tors. eta vs tors. theta energy: -26.636
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: 6, replica: 10
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -404.384177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.384177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.384177 (E_RNA)
where:
Base-Base interactions energy: -263.413
where: short stacking energy: -132.998
Base-Backbone interact. energy: -0.340
local terms energy: -140.630916
where:
bonds (distance) C4'-P energy: -33.680
bonds (distance) P-C4' energy: -27.596
flat angles C4'-P-C4' energy: -26.877
flat angles P-C4'-P energy: -18.387
tors. eta vs tors. theta energy: -34.091
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: 8
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -326.727336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.727336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.727336 (E_RNA)
where:
Base-Base interactions energy: -212.809
where: short stacking energy: -97.849
Base-Backbone interact. energy: -0.278
local terms energy: -113.640578
where:
bonds (distance) C4'-P energy: -19.439
bonds (distance) P-C4' energy: -31.577
flat angles C4'-P-C4' energy: -21.366
flat angles P-C4'-P energy: -21.099
tors. eta vs tors. theta energy: -20.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -188.575815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.575815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.575815 (E_RNA)
where:
Base-Base interactions energy: -85.649
where: short stacking energy: -55.578
Base-Backbone interact. energy: -0.592
local terms energy: -102.334506
where:
bonds (distance) C4'-P energy: -25.978
bonds (distance) P-C4' energy: -25.290
flat angles C4'-P-C4' energy: -28.275
flat angles P-C4'-P energy: -19.049
tors. eta vs tors. theta energy: -3.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -166.423354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.423354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.423354 (E_RNA)
where:
Base-Base interactions energy: -61.377
where: short stacking energy: -54.760
Base-Backbone interact. energy: -0.845
local terms energy: -104.200613
where:
bonds (distance) C4'-P energy: -30.579
bonds (distance) P-C4' energy: -30.061
flat angles C4'-P-C4' energy: -26.196
flat angles P-C4'-P energy: -15.307
tors. eta vs tors. theta energy: -2.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -150.068241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.068241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.068241 (E_RNA)
where:
Base-Base interactions energy: -56.223
where: short stacking energy: -29.249
Base-Backbone interact. energy: 2.280
local terms energy: -96.125365
where:
bonds (distance) C4'-P energy: -29.605
bonds (distance) P-C4' energy: -31.445
flat angles C4'-P-C4' energy: -29.044
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: 5.952
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: 6
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -536.896858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.896858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.896858 (E_RNA)
where:
Base-Base interactions energy: -366.030
where: short stacking energy: -173.692
Base-Backbone interact. energy: -0.033
local terms energy: -170.833933
where:
bonds (distance) C4'-P energy: -25.993
bonds (distance) P-C4' energy: -32.587
flat angles C4'-P-C4' energy: -33.162
flat angles P-C4'-P energy: -28.053
tors. eta vs tors. theta energy: -51.039
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: 2
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -539.087680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.087680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.087680 (E_RNA)
where:
Base-Base interactions energy: -365.920
where: short stacking energy: -150.804
Base-Backbone interact. energy: 0.170
local terms energy: -173.337917
where:
bonds (distance) C4'-P energy: -28.436
bonds (distance) P-C4' energy: -37.388
flat angles C4'-P-C4' energy: -38.145
flat angles P-C4'-P energy: -24.618
tors. eta vs tors. theta energy: -44.751
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: 60
Temperature: 1.000000
Total energy: -459.126051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.126051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.126051 (E_RNA)
where:
Base-Base interactions energy: -293.864
where: short stacking energy: -139.088
Base-Backbone interact. energy: -1.043
local terms energy: -164.218896
where:
bonds (distance) C4'-P energy: -29.137
bonds (distance) P-C4' energy: -31.638
flat angles C4'-P-C4' energy: -37.419
flat angles P-C4'-P energy: -26.705
tors. eta vs tors. theta energy: -39.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -453.767855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.767855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.767855 (E_RNA)
where:
Base-Base interactions energy: -308.350
where: short stacking energy: -157.597
Base-Backbone interact. energy: -1.399
local terms energy: -144.018741
where:
bonds (distance) C4'-P energy: -21.573
bonds (distance) P-C4' energy: -32.267
flat angles C4'-P-C4' energy: -31.881
flat angles P-C4'-P energy: -17.363
tors. eta vs tors. theta energy: -40.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -406.726242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.726242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.726242 (E_RNA)
where:
Base-Base interactions energy: -260.836
where: short stacking energy: -125.299
Base-Backbone interact. energy: -0.241
local terms energy: -145.649426
where:
bonds (distance) C4'-P energy: -25.388
bonds (distance) P-C4' energy: -29.228
flat angles C4'-P-C4' energy: -34.569
flat angles P-C4'-P energy: -22.326
tors. eta vs tors. theta energy: -34.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -346.196773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.196773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.196773 (E_RNA)
where:
Base-Base interactions energy: -218.529
where: short stacking energy: -117.116
Base-Backbone interact. energy: -0.072
local terms energy: -127.595445
where:
bonds (distance) C4'-P energy: -33.308
bonds (distance) P-C4' energy: -22.841
flat angles C4'-P-C4' energy: -29.169
flat angles P-C4'-P energy: -13.358
tors. eta vs tors. theta energy: -28.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -343.455234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.455234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.455234 (E_RNA)
where:
Base-Base interactions energy: -200.063
where: short stacking energy: -97.658
Base-Backbone interact. energy: -0.144
local terms energy: -143.248933
where:
bonds (distance) C4'-P energy: -29.630
bonds (distance) P-C4' energy: -36.958
flat angles C4'-P-C4' energy: -33.488
flat angles P-C4'-P energy: -21.446
tors. eta vs tors. theta energy: -21.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -177.598843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.598843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.598843 (E_RNA)
where:
Base-Base interactions energy: -74.554
where: short stacking energy: -70.185
Base-Backbone interact. energy: 0.112
local terms energy: -103.157206
where:
bonds (distance) C4'-P energy: -27.401
bonds (distance) P-C4' energy: -24.697
flat angles C4'-P-C4' energy: -26.901
flat angles P-C4'-P energy: -14.314
tors. eta vs tors. theta energy: -9.844
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: 9, replica: 4
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -152.916710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.916710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.916710 (E_RNA)
where:
Base-Base interactions energy: -56.599
where: short stacking energy: -43.469
Base-Backbone interact. energy: -0.203
local terms energy: -96.114093
where:
bonds (distance) C4'-P energy: -33.339
bonds (distance) P-C4' energy: -34.556
flat angles C4'-P-C4' energy: -23.127
flat angles P-C4'-P energy: -13.249
tors. eta vs tors. theta energy: 8.157
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: 3
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -161.967705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.967705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.967705 (E_RNA)
where:
Base-Base interactions energy: -63.670
where: short stacking energy: -58.155
Base-Backbone interact. energy: -0.421
local terms energy: -97.876478
where:
bonds (distance) C4'-P energy: -28.479
bonds (distance) P-C4' energy: -31.151
flat angles C4'-P-C4' energy: -29.340
flat angles P-C4'-P energy: -13.754
tors. eta vs tors. theta energy: 4.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -532.256519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.256519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.256519 (E_RNA)
where:
Base-Base interactions energy: -364.125
where: short stacking energy: -161.331
Base-Backbone interact. energy: -0.167
local terms energy: -167.964512
where:
bonds (distance) C4'-P energy: -34.666
bonds (distance) P-C4' energy: -30.508
flat angles C4'-P-C4' energy: -32.884
flat angles P-C4'-P energy: -22.704
tors. eta vs tors. theta energy: -47.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -474.173716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.173716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.173716 (E_RNA)
where:
Base-Base interactions energy: -306.919
where: short stacking energy: -142.050
Base-Backbone interact. energy: -0.216
local terms energy: -167.038816
where:
bonds (distance) C4'-P energy: -34.390
bonds (distance) P-C4' energy: -27.385
flat angles C4'-P-C4' energy: -34.172
flat angles P-C4'-P energy: -27.673
tors. eta vs tors. theta energy: -43.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -533.629877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.629877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.629877 (E_RNA)
where:
Base-Base interactions energy: -369.511
where: short stacking energy: -165.820
Base-Backbone interact. energy: 1.798
local terms energy: -165.916916
where:
bonds (distance) C4'-P energy: -22.552
bonds (distance) P-C4' energy: -28.685
flat angles C4'-P-C4' energy: -33.504
flat angles P-C4'-P energy: -29.833
tors. eta vs tors. theta energy: -51.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -429.863653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.863653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.863653 (E_RNA)
where:
Base-Base interactions energy: -274.564
where: short stacking energy: -123.265
Base-Backbone interact. energy: -1.414
local terms energy: -153.886144
where:
bonds (distance) C4'-P energy: -26.723
bonds (distance) P-C4' energy: -35.020
flat angles C4'-P-C4' energy: -29.404
flat angles P-C4'-P energy: -26.916
tors. eta vs tors. theta energy: -35.823
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: 10
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -387.983983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.983983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.983983 (E_RNA)
where:
Base-Base interactions energy: -246.392
where: short stacking energy: -120.826
Base-Backbone interact. energy: -1.608
local terms energy: -139.984047
where:
bonds (distance) C4'-P energy: -30.842
bonds (distance) P-C4' energy: -29.059
flat angles C4'-P-C4' energy: -33.920
flat angles P-C4'-P energy: -18.029
tors. eta vs tors. theta energy: -28.134
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: 1
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -337.789207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.789207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.789207 (E_RNA)
where:
Base-Base interactions energy: -204.371
where: short stacking energy: -96.250
Base-Backbone interact. energy: -0.582
local terms energy: -132.836244
where:
bonds (distance) C4'-P energy: -29.149
bonds (distance) P-C4' energy: -25.989
flat angles C4'-P-C4' energy: -27.945
flat angles P-C4'-P energy: -21.579
tors. eta vs tors. theta energy: -28.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -327.640401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.640401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.640401 (E_RNA)
where:
Base-Base interactions energy: -206.982
where: short stacking energy: -105.350
Base-Backbone interact. energy: 0.446
local terms energy: -121.104940
where:
bonds (distance) C4'-P energy: -28.877
bonds (distance) P-C4' energy: -31.612
flat angles C4'-P-C4' energy: -27.876
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -20.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -164.173624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.173624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.173624 (E_RNA)
where:
Base-Base interactions energy: -70.439
where: short stacking energy: -68.388
Base-Backbone interact. energy: -0.314
local terms energy: -93.419876
where:
bonds (distance) C4'-P energy: -22.547
bonds (distance) P-C4' energy: -26.614
flat angles C4'-P-C4' energy: -27.361
flat angles P-C4'-P energy: -14.753
tors. eta vs tors. theta energy: -2.144
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: 61
Temperature: 1.300000
Total energy: -155.364600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.364600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.364600 (E_RNA)
where:
Base-Base interactions energy: -70.061
where: short stacking energy: -43.686
Base-Backbone interact. energy: 2.089
local terms energy: -87.393423
where:
bonds (distance) C4'-P energy: -28.810
bonds (distance) P-C4' energy: -26.221
flat angles C4'-P-C4' energy: -21.457
flat angles P-C4'-P energy: -13.020
tors. eta vs tors. theta energy: 2.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -157.900774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.900774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.900774 (E_RNA)
where:
Base-Base interactions energy: -69.036
where: short stacking energy: -62.830
Base-Backbone interact. energy: 0.712
local terms energy: -89.576683
where:
bonds (distance) C4'-P energy: -25.518
bonds (distance) P-C4' energy: -27.264
flat angles C4'-P-C4' energy: -19.055
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -6.725
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: 6
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -541.380689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.380689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.380689 (E_RNA)
where:
Base-Base interactions energy: -367.878
where: short stacking energy: -166.796
Base-Backbone interact. energy: -0.017
local terms energy: -173.485653
where:
bonds (distance) C4'-P energy: -29.832
bonds (distance) P-C4' energy: -29.573
flat angles C4'-P-C4' energy: -38.776
flat angles P-C4'-P energy: -25.690
tors. eta vs tors. theta energy: -49.615
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: 62
Temperature: 0.950000
Total energy: -464.405059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.405059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.405059 (E_RNA)
where:
Base-Base interactions energy: -306.647
where: short stacking energy: -145.317
Base-Backbone interact. energy: -0.841
local terms energy: -156.917517
where:
bonds (distance) C4'-P energy: -30.310
bonds (distance) P-C4' energy: -30.056
flat angles C4'-P-C4' energy: -37.265
flat angles P-C4'-P energy: -21.422
tors. eta vs tors. theta energy: -37.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -524.285739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.285739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.285739 (E_RNA)
where:
Base-Base interactions energy: -357.578
where: short stacking energy: -153.007
Base-Backbone interact. energy: -1.356
local terms energy: -165.351962
where:
bonds (distance) C4'-P energy: -31.432
bonds (distance) P-C4' energy: -29.874
flat angles C4'-P-C4' energy: -31.172
flat angles P-C4'-P energy: -28.978
tors. eta vs tors. theta energy: -43.895
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: 4, replica: 5
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -438.111390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.111390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.111390 (E_RNA)
where:
Base-Base interactions energy: -290.130
where: short stacking energy: -133.285
Base-Backbone interact. energy: 0.398
local terms energy: -148.379242
where:
bonds (distance) C4'-P energy: -32.807
bonds (distance) P-C4' energy: -28.499
flat angles C4'-P-C4' energy: -34.453
flat angles P-C4'-P energy: -21.550
tors. eta vs tors. theta energy: -31.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -395.034789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.034789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.034789 (E_RNA)
where:
Base-Base interactions energy: -252.073
where: short stacking energy: -119.023
Base-Backbone interact. energy: -0.791
local terms energy: -142.170981
where:
bonds (distance) C4'-P energy: -32.801
bonds (distance) P-C4' energy: -28.130
flat angles C4'-P-C4' energy: -33.471
flat angles P-C4'-P energy: -17.281
tors. eta vs tors. theta energy: -30.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -345.021560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.021560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.021560 (E_RNA)
where:
Base-Base interactions energy: -200.889
where: short stacking energy: -106.036
Base-Backbone interact. energy: -1.689
local terms energy: -142.443499
where:
bonds (distance) C4'-P energy: -27.064
bonds (distance) P-C4' energy: -29.885
flat angles C4'-P-C4' energy: -32.943
flat angles P-C4'-P energy: -24.692
tors. eta vs tors. theta energy: -27.861
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: 8
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -332.353206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.353206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.353206 (E_RNA)
where:
Base-Base interactions energy: -204.704
where: short stacking energy: -101.874
Base-Backbone interact. energy: 0.492
local terms energy: -128.140995
where:
bonds (distance) C4'-P energy: -32.072
bonds (distance) P-C4' energy: -22.985
flat angles C4'-P-C4' energy: -25.707
flat angles P-C4'-P energy: -23.935
tors. eta vs tors. theta energy: -23.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -237.736740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.736740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.736740 (E_RNA)
where:
Base-Base interactions energy: -127.257
where: short stacking energy: -75.814
Base-Backbone interact. energy: 1.998
local terms energy: -112.477356
where:
bonds (distance) C4'-P energy: -23.786
bonds (distance) P-C4' energy: -25.205
flat angles C4'-P-C4' energy: -27.687
flat angles P-C4'-P energy: -24.048
tors. eta vs tors. theta energy: -11.751
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: 3
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -165.049614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.049614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.049614 (E_RNA)
where:
Base-Base interactions energy: -75.759
where: short stacking energy: -58.561
Base-Backbone interact. energy: 0.030
local terms energy: -89.320327
where:
bonds (distance) C4'-P energy: -26.748
bonds (distance) P-C4' energy: -25.126
flat angles C4'-P-C4' energy: -28.341
flat angles P-C4'-P energy: -5.065
tors. eta vs tors. theta energy: -4.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -151.949664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.949664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.949664 (E_RNA)
where:
Base-Base interactions energy: -74.006
where: short stacking energy: -60.833
Base-Backbone interact. energy: 1.891
local terms energy: -79.834754
where:
bonds (distance) C4'-P energy: -21.848
bonds (distance) P-C4' energy: -28.917
flat angles C4'-P-C4' energy: -26.674
flat angles P-C4'-P energy: -2.971
tors. eta vs tors. theta energy: 0.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -538.533108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.533108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.533108 (E_RNA)
where:
Base-Base interactions energy: -369.521
where: short stacking energy: -167.340
Base-Backbone interact. energy: -0.491
local terms energy: -168.521698
where:
bonds (distance) C4'-P energy: -22.097
bonds (distance) P-C4' energy: -30.653
flat angles C4'-P-C4' energy: -38.094
flat angles P-C4'-P energy: -26.887
tors. eta vs tors. theta energy: -50.792
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: 2
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -540.710567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.710567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.710567 (E_RNA)
where:
Base-Base interactions energy: -372.191
where: short stacking energy: -161.606
Base-Backbone interact. energy: 0.636
local terms energy: -169.155171
where:
bonds (distance) C4'-P energy: -33.372
bonds (distance) P-C4' energy: -29.216
flat angles C4'-P-C4' energy: -35.797
flat angles P-C4'-P energy: -22.500
tors. eta vs tors. theta energy: -48.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -447.965067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.965067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.965067 (E_RNA)
where:
Base-Base interactions energy: -288.220
where: short stacking energy: -140.567
Base-Backbone interact. energy: -1.289
local terms energy: -158.456009
where:
bonds (distance) C4'-P energy: -29.629
bonds (distance) P-C4' energy: -38.102
flat angles C4'-P-C4' energy: -30.353
flat angles P-C4'-P energy: -20.817
tors. eta vs tors. theta energy: -39.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -426.637191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.637191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.637191 (E_RNA)
where:
Base-Base interactions energy: -285.689
where: short stacking energy: -133.081
Base-Backbone interact. energy: 1.381
local terms energy: -142.329516
where:
bonds (distance) C4'-P energy: -26.384
bonds (distance) P-C4' energy: -30.091
flat angles C4'-P-C4' energy: -27.600
flat angles P-C4'-P energy: -19.831
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: 5, replica: 10
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -415.774500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.774500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.774500 (E_RNA)
where:
Base-Base interactions energy: -274.958
where: short stacking energy: -127.102
Base-Backbone interact. energy: -0.370
local terms energy: -140.447283
where:
bonds (distance) C4'-P energy: -18.494
bonds (distance) P-C4' energy: -30.310
flat angles C4'-P-C4' energy: -34.580
flat angles P-C4'-P energy: -25.858
tors. eta vs tors. theta energy: -31.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -343.659263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.659263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.659263 (E_RNA)
where:
Base-Base interactions energy: -213.963
where: short stacking energy: -96.942
Base-Backbone interact. energy: -1.170
local terms energy: -128.525633
where:
bonds (distance) C4'-P energy: -27.448
bonds (distance) P-C4' energy: -31.066
flat angles C4'-P-C4' energy: -20.708
flat angles P-C4'-P energy: -23.092
tors. eta vs tors. theta energy: -26.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -330.879916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.879916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.879916 (E_RNA)
where:
Base-Base interactions energy: -212.001
where: short stacking energy: -109.915
Base-Backbone interact. energy: -0.772
local terms energy: -118.106321
where:
bonds (distance) C4'-P energy: -32.020
bonds (distance) P-C4' energy: -19.760
flat angles C4'-P-C4' energy: -30.741
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -26.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -174.620026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.620026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.620026 (E_RNA)
where:
Base-Base interactions energy: -76.394
where: short stacking energy: -50.823
Base-Backbone interact. energy: -1.158
local terms energy: -97.067821
where:
bonds (distance) C4'-P energy: -16.019
bonds (distance) P-C4' energy: -29.146
flat angles C4'-P-C4' energy: -28.142
flat angles P-C4'-P energy: -19.308
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: 9, replica: 4
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -180.714810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.714810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.714810 (E_RNA)
where:
Base-Base interactions energy: -93.568
where: short stacking energy: -61.364
Base-Backbone interact. energy: 0.310
local terms energy: -87.457021
where:
bonds (distance) C4'-P energy: -28.288
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -27.480
flat angles P-C4'-P energy: -18.684
tors. eta vs tors. theta energy: -2.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -153.719871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.719871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.719871 (E_RNA)
where:
Base-Base interactions energy: -47.635
where: short stacking energy: -39.215
Base-Backbone interact. energy: -1.689
local terms energy: -104.395242
where:
bonds (distance) C4'-P energy: -34.864
bonds (distance) P-C4' energy: -31.829
flat angles C4'-P-C4' energy: -17.294
flat angles P-C4'-P energy: -19.330
tors. eta vs tors. theta energy: -1.078
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: 6
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -535.052989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.052989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.052989 (E_RNA)
where:
Base-Base interactions energy: -363.236
where: short stacking energy: -160.914
Base-Backbone interact. energy: -0.985
local terms energy: -170.832104
where:
bonds (distance) C4'-P energy: -30.752
bonds (distance) P-C4' energy: -35.620
flat angles C4'-P-C4' energy: -32.993
flat angles P-C4'-P energy: -24.513
tors. eta vs tors. theta energy: -46.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -533.910997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.910997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.910997 (E_RNA)
where:
Base-Base interactions energy: -369.288
where: short stacking energy: -160.262
Base-Backbone interact. energy: -1.884
local terms energy: -162.739668
where:
bonds (distance) C4'-P energy: -27.681
bonds (distance) P-C4' energy: -34.735
flat angles C4'-P-C4' energy: -32.256
flat angles P-C4'-P energy: -18.636
tors. eta vs tors. theta energy: -49.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -437.814239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.814239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.814239 (E_RNA)
where:
Base-Base interactions energy: -291.763
where: short stacking energy: -137.139
Base-Backbone interact. energy: -0.494
local terms energy: -145.557230
where:
bonds (distance) C4'-P energy: -26.761
bonds (distance) P-C4' energy: -32.621
flat angles C4'-P-C4' energy: -33.066
flat angles P-C4'-P energy: -19.299
tors. eta vs tors. theta energy: -33.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -443.962039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.962039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.962039 (E_RNA)
where:
Base-Base interactions energy: -284.247
where: short stacking energy: -136.351
Base-Backbone interact. energy: 0.381
local terms energy: -160.096131
where:
bonds (distance) C4'-P energy: -28.712
bonds (distance) P-C4' energy: -31.938
flat angles C4'-P-C4' energy: -32.185
flat angles P-C4'-P energy: -25.690
tors. eta vs tors. theta energy: -41.571
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: 8
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -378.350479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.350479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.350479 (E_RNA)
where:
Base-Base interactions energy: -230.309
where: short stacking energy: -109.768
Base-Backbone interact. energy: -0.057
local terms energy: -147.984164
where:
bonds (distance) C4'-P energy: -31.156
bonds (distance) P-C4' energy: -33.798
flat angles C4'-P-C4' energy: -32.533
flat angles P-C4'-P energy: -20.235
tors. eta vs tors. theta energy: -30.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -406.721958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.721958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.721958 (E_RNA)
where:
Base-Base interactions energy: -270.476
where: short stacking energy: -135.946
Base-Backbone interact. energy: -0.209
local terms energy: -136.037203
where:
bonds (distance) C4'-P energy: -31.061
bonds (distance) P-C4' energy: -24.810
flat angles C4'-P-C4' energy: -37.675
flat angles P-C4'-P energy: -17.011
tors. eta vs tors. theta energy: -25.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -293.891080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.891080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.891080 (E_RNA)
where:
Base-Base interactions energy: -187.346
where: short stacking energy: -98.505
Base-Backbone interact. energy: -0.655
local terms energy: -105.889915
where:
bonds (distance) C4'-P energy: -25.308
bonds (distance) P-C4' energy: -25.970
flat angles C4'-P-C4' energy: -22.983
flat angles P-C4'-P energy: -16.157
tors. eta vs tors. theta energy: -15.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -176.714531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.714531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.714531 (E_RNA)
where:
Base-Base interactions energy: -73.081
where: short stacking energy: -63.172
Base-Backbone interact. energy: -0.289
local terms energy: -103.344729
where:
bonds (distance) C4'-P energy: -27.107
bonds (distance) P-C4' energy: -24.884
flat angles C4'-P-C4' energy: -23.949
flat angles P-C4'-P energy: -13.009
tors. eta vs tors. theta energy: -14.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -150.656912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.656912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.656912 (E_RNA)
where:
Base-Base interactions energy: -55.594
where: short stacking energy: -52.574
Base-Backbone interact. energy: 0.429
local terms energy: -95.492035
where:
bonds (distance) C4'-P energy: -18.964
bonds (distance) P-C4' energy: -32.575
flat angles C4'-P-C4' energy: -31.531
flat angles P-C4'-P energy: -12.966
tors. eta vs tors. theta energy: 0.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -146.801693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.801693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.801693 (E_RNA)
where:
Base-Base interactions energy: -52.407
where: short stacking energy: -34.915
Base-Backbone interact. energy: -0.757
local terms energy: -93.638280
where:
bonds (distance) C4'-P energy: -32.673
bonds (distance) P-C4' energy: -31.002
flat angles C4'-P-C4' energy: -22.348
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: 3.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -534.212764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.212764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.212764 (E_RNA)
where:
Base-Base interactions energy: -367.554
where: short stacking energy: -166.817
Base-Backbone interact. energy: -0.047
local terms energy: -166.611695
where:
bonds (distance) C4'-P energy: -28.548
bonds (distance) P-C4' energy: -26.827
flat angles C4'-P-C4' energy: -32.840
flat angles P-C4'-P energy: -28.667
tors. eta vs tors. theta energy: -49.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -538.411106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.411106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.411106 (E_RNA)
where:
Base-Base interactions energy: -364.082
where: short stacking energy: -147.017
Base-Backbone interact. energy: -1.493
local terms energy: -172.836942
where:
bonds (distance) C4'-P energy: -35.335
bonds (distance) P-C4' energy: -35.180
flat angles C4'-P-C4' energy: -28.116
flat angles P-C4'-P energy: -26.835
tors. eta vs tors. theta energy: -47.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -463.768591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.768591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.768591 (E_RNA)
where:
Base-Base interactions energy: -319.132
where: short stacking energy: -148.902
Base-Backbone interact. energy: -0.206
local terms energy: -144.429876
where:
bonds (distance) C4'-P energy: -27.440
bonds (distance) P-C4' energy: -24.946
flat angles C4'-P-C4' energy: -32.723
flat angles P-C4'-P energy: -18.585
tors. eta vs tors. theta energy: -40.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -400.021977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.021977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.021977 (E_RNA)
where:
Base-Base interactions energy: -241.830
where: short stacking energy: -129.496
Base-Backbone interact. energy: -0.262
local terms energy: -157.929389
where:
bonds (distance) C4'-P energy: -33.855
bonds (distance) P-C4' energy: -31.389
flat angles C4'-P-C4' energy: -31.395
flat angles P-C4'-P energy: -22.131
tors. eta vs tors. theta energy: -39.159
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: 5, replica: 7
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -417.831937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.831937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.831937 (E_RNA)
where:
Base-Base interactions energy: -285.992
where: short stacking energy: -122.076
Base-Backbone interact. energy: -0.856
local terms energy: -130.984788
where:
bonds (distance) C4'-P energy: -29.600
bonds (distance) P-C4' energy: -17.071
flat angles C4'-P-C4' energy: -35.455
flat angles P-C4'-P energy: -20.113
tors. eta vs tors. theta energy: -28.746
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: 10
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -412.945457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.945457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.945457 (E_RNA)
where:
Base-Base interactions energy: -262.138
where: short stacking energy: -132.938
Base-Backbone interact. energy: -0.304
local terms energy: -150.503800
where:
bonds (distance) C4'-P energy: -27.058
bonds (distance) P-C4' energy: -32.687
flat angles C4'-P-C4' energy: -29.512
flat angles P-C4'-P energy: -21.978
tors. eta vs tors. theta energy: -39.269
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: 65
Temperature: 1.200000
Total energy: -257.492118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.492118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.492118 (E_RNA)
where:
Base-Base interactions energy: -156.241
where: short stacking energy: -106.293
Base-Backbone interact. energy: -0.230
local terms energy: -101.020624
where:
bonds (distance) C4'-P energy: -19.055
bonds (distance) P-C4' energy: -22.729
flat angles C4'-P-C4' energy: -23.614
flat angles P-C4'-P energy: -17.498
tors. eta vs tors. theta energy: -18.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -176.577331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.577331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.577331 (E_RNA)
where:
Base-Base interactions energy: -86.903
where: short stacking energy: -85.058
Base-Backbone interact. energy: -0.258
local terms energy: -89.417158
where:
bonds (distance) C4'-P energy: -22.465
bonds (distance) P-C4' energy: -23.013
flat angles C4'-P-C4' energy: -20.872
flat angles P-C4'-P energy: -15.617
tors. eta vs tors. theta energy: -7.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -157.977399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.977399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.977399 (E_RNA)
where:
Base-Base interactions energy: -53.658
where: short stacking energy: -46.939
Base-Backbone interact. energy: -0.502
local terms energy: -103.817273
where:
bonds (distance) C4'-P energy: -24.647
bonds (distance) P-C4' energy: -28.618
flat angles C4'-P-C4' energy: -26.158
flat angles P-C4'-P energy: -23.016
tors. eta vs tors. theta energy: -1.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -149.918222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.918222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.918222 (E_RNA)
where:
Base-Base interactions energy: -50.081
where: short stacking energy: -46.168
Base-Backbone interact. energy: -1.334
local terms energy: -98.502904
where:
bonds (distance) C4'-P energy: -33.384
bonds (distance) P-C4' energy: -22.865
flat angles C4'-P-C4' energy: -24.504
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -6.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -552.032236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.032236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.032236 (E_RNA)
where:
Base-Base interactions energy: -388.466
where: short stacking energy: -161.333
Base-Backbone interact. energy: -0.930
local terms energy: -162.636018
where:
bonds (distance) C4'-P energy: -25.446
bonds (distance) P-C4' energy: -37.353
flat angles C4'-P-C4' energy: -34.482
flat angles P-C4'-P energy: -19.702
tors. eta vs tors. theta energy: -45.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -503.474898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.474898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.474898 (E_RNA)
where:
Base-Base interactions energy: -338.072
where: short stacking energy: -153.565
Base-Backbone interact. energy: 0.640
local terms energy: -166.042662
where:
bonds (distance) C4'-P energy: -33.318
bonds (distance) P-C4' energy: -27.879
flat angles C4'-P-C4' energy: -35.070
flat angles P-C4'-P energy: -27.201
tors. eta vs tors. theta energy: -42.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -464.230716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.230716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.230716 (E_RNA)
where:
Base-Base interactions energy: -303.791
where: short stacking energy: -125.107
Base-Backbone interact. energy: -0.366
local terms energy: -160.073732
where:
bonds (distance) C4'-P energy: -32.776
bonds (distance) P-C4' energy: -31.344
flat angles C4'-P-C4' energy: -37.245
flat angles P-C4'-P energy: -19.129
tors. eta vs tors. theta energy: -39.580
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: 66
Temperature: 1.050000
Total energy: -393.803159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.803159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.803159 (E_RNA)
where:
Base-Base interactions energy: -240.674
where: short stacking energy: -133.944
Base-Backbone interact. energy: 0.007
local terms energy: -153.135842
where:
bonds (distance) C4'-P energy: -21.224
bonds (distance) P-C4' energy: -35.397
flat angles C4'-P-C4' energy: -34.308
flat angles P-C4'-P energy: -24.676
tors. eta vs tors. theta energy: -37.530
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: 7
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -443.708510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.708510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.708510 (E_RNA)
where:
Base-Base interactions energy: -315.156
where: short stacking energy: -121.499
Base-Backbone interact. energy: -1.773
local terms energy: -126.779941
where:
bonds (distance) C4'-P energy: -24.512
bonds (distance) P-C4' energy: -30.417
flat angles C4'-P-C4' energy: -26.417
flat angles P-C4'-P energy: -14.429
tors. eta vs tors. theta energy: -31.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -412.185066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.185066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.185066 (E_RNA)
where:
Base-Base interactions energy: -264.548
where: short stacking energy: -129.476
Base-Backbone interact. energy: -0.099
local terms energy: -147.538535
where:
bonds (distance) C4'-P energy: -29.258
bonds (distance) P-C4' energy: -23.820
flat angles C4'-P-C4' energy: -29.498
flat angles P-C4'-P energy: -27.805
tors. eta vs tors. theta energy: -37.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -261.216757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.216757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.216757 (E_RNA)
where:
Base-Base interactions energy: -152.586
where: short stacking energy: -95.574
Base-Backbone interact. energy: -0.398
local terms energy: -108.232534
where:
bonds (distance) C4'-P energy: -24.595
bonds (distance) P-C4' energy: -20.145
flat angles C4'-P-C4' energy: -28.531
flat angles P-C4'-P energy: -12.243
tors. eta vs tors. theta energy: -22.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -177.474959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.474959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.474959 (E_RNA)
where:
Base-Base interactions energy: -77.171
where: short stacking energy: -64.777
Base-Backbone interact. energy: -0.355
local terms energy: -99.949350
where:
bonds (distance) C4'-P energy: -31.194
bonds (distance) P-C4' energy: -25.157
flat angles C4'-P-C4' energy: -23.461
flat angles P-C4'-P energy: -14.971
tors. eta vs tors. theta energy: -5.166
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: 4
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -161.319858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.319858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.319858 (E_RNA)
where:
Base-Base interactions energy: -69.725
where: short stacking energy: -50.963
Base-Backbone interact. energy: -0.093
local terms energy: -91.501594
where:
bonds (distance) C4'-P energy: -25.213
bonds (distance) P-C4' energy: -32.841
flat angles C4'-P-C4' energy: -20.817
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -0.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -143.074841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.074841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.074841 (E_RNA)
where:
Base-Base interactions energy: -55.432
where: short stacking energy: -53.930
Base-Backbone interact. energy: -0.723
local terms energy: -86.919681
where:
bonds (distance) C4'-P energy: -28.061
bonds (distance) P-C4' energy: -21.183
flat angles C4'-P-C4' energy: -19.677
flat angles P-C4'-P energy: -16.919
tors. eta vs tors. theta energy: -1.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -546.339166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.339166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.339166 (E_RNA)
where:
Base-Base interactions energy: -372.804
where: short stacking energy: -153.823
Base-Backbone interact. energy: -0.683
local terms energy: -172.851809
where:
bonds (distance) C4'-P energy: -32.313
bonds (distance) P-C4' energy: -29.316
flat angles C4'-P-C4' energy: -37.629
flat angles P-C4'-P energy: -22.675
tors. eta vs tors. theta energy: -50.918
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: 6
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -529.286399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.286399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.286399 (E_RNA)
where:
Base-Base interactions energy: -355.439
where: short stacking energy: -166.132
Base-Backbone interact. energy: -1.087
local terms energy: -172.760190
where:
bonds (distance) C4'-P energy: -33.694
bonds (distance) P-C4' energy: -29.922
flat angles C4'-P-C4' energy: -33.418
flat angles P-C4'-P energy: -29.255
tors. eta vs tors. theta energy: -46.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -467.382708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.382708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.382708 (E_RNA)
where:
Base-Base interactions energy: -315.180
where: short stacking energy: -141.394
Base-Backbone interact. energy: -0.835
local terms energy: -151.367333
where:
bonds (distance) C4'-P energy: -31.041
bonds (distance) P-C4' energy: -32.105
flat angles C4'-P-C4' energy: -36.262
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -39.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -480.914943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.914943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.914943 (E_RNA)
where:
Base-Base interactions energy: -324.152
where: short stacking energy: -139.667
Base-Backbone interact. energy: -1.119
local terms energy: -155.643945
where:
bonds (distance) C4'-P energy: -27.632
bonds (distance) P-C4' energy: -34.946
flat angles C4'-P-C4' energy: -33.843
flat angles P-C4'-P energy: -22.809
tors. eta vs tors. theta energy: -36.414
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: 5, replica: 8
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -391.736353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.736353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.736353 (E_RNA)
where:
Base-Base interactions energy: -250.443
where: short stacking energy: -140.245
Base-Backbone interact. energy: -1.036
local terms energy: -140.257017
where:
bonds (distance) C4'-P energy: -24.207
bonds (distance) P-C4' energy: -30.385
flat angles C4'-P-C4' energy: -26.602
flat angles P-C4'-P energy: -18.675
tors. eta vs tors. theta energy: -40.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -397.260923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.260923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.260923 (E_RNA)
where:
Base-Base interactions energy: -243.216
where: short stacking energy: -113.582
Base-Backbone interact. energy: -0.440
local terms energy: -153.604661
where:
bonds (distance) C4'-P energy: -34.714
bonds (distance) P-C4' energy: -30.514
flat angles C4'-P-C4' energy: -36.615
flat angles P-C4'-P energy: -19.806
tors. eta vs tors. theta energy: -31.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -251.589091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.589091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.589091 (E_RNA)
where:
Base-Base interactions energy: -138.852
where: short stacking energy: -77.458
Base-Backbone interact. energy: 0.741
local terms energy: -113.478264
where:
bonds (distance) C4'-P energy: -26.959
bonds (distance) P-C4' energy: -33.106
flat angles C4'-P-C4' energy: -32.711
flat angles P-C4'-P energy: -17.345
tors. eta vs tors. theta energy: -3.358
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: 4
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -193.255656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.255656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.255656 (E_RNA)
where:
Base-Base interactions energy: -75.612
where: short stacking energy: -71.468
Base-Backbone interact. energy: 0.056
local terms energy: -117.699421
where:
bonds (distance) C4'-P energy: -30.743
bonds (distance) P-C4' energy: -31.583
flat angles C4'-P-C4' energy: -29.451
flat angles P-C4'-P energy: -17.923
tors. eta vs tors. theta energy: -8.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -162.287832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.287832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.287832 (E_RNA)
where:
Base-Base interactions energy: -63.485
where: short stacking energy: -49.282
Base-Backbone interact. energy: -0.261
local terms energy: -98.541331
where:
bonds (distance) C4'-P energy: -30.818
bonds (distance) P-C4' energy: -24.126
flat angles C4'-P-C4' energy: -25.731
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -5.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -152.408018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.408018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.408018 (E_RNA)
where:
Base-Base interactions energy: -67.354
where: short stacking energy: -63.981
Base-Backbone interact. energy: 0.678
local terms energy: -85.731975
where:
bonds (distance) C4'-P energy: -26.236
bonds (distance) P-C4' energy: -30.937
flat angles C4'-P-C4' energy: -17.580
flat angles P-C4'-P energy: -7.693
tors. eta vs tors. theta energy: -3.287
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: 2
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -548.603462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.603462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.603462 (E_RNA)
where:
Base-Base interactions energy: -379.479
where: short stacking energy: -170.446
Base-Backbone interact. energy: -1.506
local terms energy: -167.618799
where:
bonds (distance) C4'-P energy: -30.344
bonds (distance) P-C4' energy: -30.784
flat angles C4'-P-C4' energy: -32.289
flat angles P-C4'-P energy: -23.134
tors. eta vs tors. theta energy: -51.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -517.100292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.100292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.100292 (E_RNA)
where:
Base-Base interactions energy: -352.008
where: short stacking energy: -158.277
Base-Backbone interact. energy: -0.454
local terms energy: -164.637885
where:
bonds (distance) C4'-P energy: -28.447
bonds (distance) P-C4' energy: -32.789
flat angles C4'-P-C4' energy: -32.241
flat angles P-C4'-P energy: -21.745
tors. eta vs tors. theta energy: -49.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -465.375988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.375988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.375988 (E_RNA)
where:
Base-Base interactions energy: -302.498
where: short stacking energy: -121.423
Base-Backbone interact. energy: -0.126
local terms energy: -162.751436
where:
bonds (distance) C4'-P energy: -31.217
bonds (distance) P-C4' energy: -32.337
flat angles C4'-P-C4' energy: -32.236
flat angles P-C4'-P energy: -22.375
tors. eta vs tors. theta energy: -44.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -453.858245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.858245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.858245 (E_RNA)
where:
Base-Base interactions energy: -299.262
where: short stacking energy: -129.657
Base-Backbone interact. energy: -0.477
local terms energy: -154.119290
where:
bonds (distance) C4'-P energy: -33.742
bonds (distance) P-C4' energy: -30.872
flat angles C4'-P-C4' energy: -31.601
flat angles P-C4'-P energy: -25.318
tors. eta vs tors. theta energy: -32.585
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: 10
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -389.487595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.487595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.487595 (E_RNA)
where:
Base-Base interactions energy: -251.745
where: short stacking energy: -127.634
Base-Backbone interact. energy: -0.168
local terms energy: -137.574230
where:
bonds (distance) C4'-P energy: -31.414
bonds (distance) P-C4' energy: -19.178
flat angles C4'-P-C4' energy: -35.882
flat angles P-C4'-P energy: -20.905
tors. eta vs tors. theta energy: -30.196
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: 8
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -356.563324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.563324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.563324 (E_RNA)
where:
Base-Base interactions energy: -221.047
where: short stacking energy: -109.914
Base-Backbone interact. energy: -1.148
local terms energy: -134.368081
where:
bonds (distance) C4'-P energy: -32.763
bonds (distance) P-C4' energy: -33.886
flat angles C4'-P-C4' energy: -25.225
flat angles P-C4'-P energy: -16.839
tors. eta vs tors. theta energy: -25.656
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: 1
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -297.278136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.278136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.278136 (E_RNA)
where:
Base-Base interactions energy: -179.914
where: short stacking energy: -90.002
Base-Backbone interact. energy: -1.037
local terms energy: -116.327198
where:
bonds (distance) C4'-P energy: -21.590
bonds (distance) P-C4' energy: -34.527
flat angles C4'-P-C4' energy: -21.661
flat angles P-C4'-P energy: -25.248
tors. eta vs tors. theta energy: -13.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -191.290951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.290951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.290951 (E_RNA)
where:
Base-Base interactions energy: -101.813
where: short stacking energy: -43.001
Base-Backbone interact. energy: 1.523
local terms energy: -91.000445
where:
bonds (distance) C4'-P energy: -25.573
bonds (distance) P-C4' energy: -33.071
flat angles C4'-P-C4' energy: -23.578
flat angles P-C4'-P energy: -14.910
tors. eta vs tors. theta energy: 6.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -170.883820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.883820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.883820 (E_RNA)
where:
Base-Base interactions energy: -72.951
where: short stacking energy: -53.226
Base-Backbone interact. energy: -0.326
local terms energy: -97.607076
where:
bonds (distance) C4'-P energy: -26.711
bonds (distance) P-C4' energy: -29.502
flat angles C4'-P-C4' energy: -18.714
flat angles P-C4'-P energy: -13.051
tors. eta vs tors. theta energy: -9.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -154.266169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.266169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.266169 (E_RNA)
where:
Base-Base interactions energy: -52.050
where: short stacking energy: -46.814
Base-Backbone interact. energy: -0.659
local terms energy: -101.556896
where:
bonds (distance) C4'-P energy: -28.334
bonds (distance) P-C4' energy: -29.930
flat angles C4'-P-C4' energy: -28.096
flat angles P-C4'-P energy: -16.438
tors. eta vs tors. theta energy: 1.242
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: 2
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -556.297730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.297730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.297730 (E_RNA)
where:
Base-Base interactions energy: -395.535
where: short stacking energy: -172.532
Base-Backbone interact. energy: -1.673
local terms energy: -159.089605
where:
bonds (distance) C4'-P energy: -27.233
bonds (distance) P-C4' energy: -32.502
flat angles C4'-P-C4' energy: -30.170
flat angles P-C4'-P energy: -19.258
tors. eta vs tors. theta energy: -49.927
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: 6
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -524.170117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.170117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.170117 (E_RNA)
where:
Base-Base interactions energy: -357.436
where: short stacking energy: -169.372
Base-Backbone interact. energy: -0.834
local terms energy: -165.900179
where:
bonds (distance) C4'-P energy: -33.237
bonds (distance) P-C4' energy: -28.349
flat angles C4'-P-C4' energy: -32.919
flat angles P-C4'-P energy: -19.928
tors. eta vs tors. theta energy: -51.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -468.259171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.259171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.259171 (E_RNA)
where:
Base-Base interactions energy: -306.278
where: short stacking energy: -136.853
Base-Backbone interact. energy: -0.767
local terms energy: -161.214220
where:
bonds (distance) C4'-P energy: -27.224
bonds (distance) P-C4' energy: -31.983
flat angles C4'-P-C4' energy: -34.722
flat angles P-C4'-P energy: -23.580
tors. eta vs tors. theta energy: -43.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -471.415900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.415900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.415900 (E_RNA)
where:
Base-Base interactions energy: -321.126
where: short stacking energy: -126.576
Base-Backbone interact. energy: -1.049
local terms energy: -149.241309
where:
bonds (distance) C4'-P energy: -27.412
bonds (distance) P-C4' energy: -29.626
flat angles C4'-P-C4' energy: -30.462
flat angles P-C4'-P energy: -27.694
tors. eta vs tors. theta energy: -34.047
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: 10
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -399.343044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.343044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.343044 (E_RNA)
where:
Base-Base interactions energy: -263.597
where: short stacking energy: -125.651
Base-Backbone interact. energy: -0.173
local terms energy: -135.573507
where:
bonds (distance) C4'-P energy: -23.713
bonds (distance) P-C4' energy: -26.843
flat angles C4'-P-C4' energy: -32.610
flat angles P-C4'-P energy: -17.593
tors. eta vs tors. theta energy: -34.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -307.226438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.226438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.226438 (E_RNA)
where:
Base-Base interactions energy: -194.959
where: short stacking energy: -84.749
Base-Backbone interact. energy: -0.417
local terms energy: -111.850087
where:
bonds (distance) C4'-P energy: -26.921
bonds (distance) P-C4' energy: -29.998
flat angles C4'-P-C4' energy: -28.280
flat angles P-C4'-P energy: -11.681
tors. eta vs tors. theta energy: -14.971
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: 8
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -342.094903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.094903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.094903 (E_RNA)
where:
Base-Base interactions energy: -216.877
where: short stacking energy: -114.760
Base-Backbone interact. energy: -0.616
local terms energy: -124.601846
where:
bonds (distance) C4'-P energy: -25.888
bonds (distance) P-C4' energy: -26.211
flat angles C4'-P-C4' energy: -32.814
flat angles P-C4'-P energy: -16.771
tors. eta vs tors. theta energy: -22.917
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: 8, replica: 9
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -176.442665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.442665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.442665 (E_RNA)
where:
Base-Base interactions energy: -77.328
where: short stacking energy: -70.739
Base-Backbone interact. energy: -0.215
local terms energy: -98.899081
where:
bonds (distance) C4'-P energy: -26.079
bonds (distance) P-C4' energy: -26.907
flat angles C4'-P-C4' energy: -21.629
flat angles P-C4'-P energy: -13.003
tors. eta vs tors. theta energy: -11.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -173.976194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.976194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.976194 (E_RNA)
where:
Base-Base interactions energy: -61.107
where: short stacking energy: -59.565
Base-Backbone interact. energy: -0.438
local terms energy: -112.431591
where:
bonds (distance) C4'-P energy: -29.241
bonds (distance) P-C4' energy: -36.402
flat angles C4'-P-C4' energy: -28.570
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -6.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -153.248480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.248480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.248480 (E_RNA)
where:
Base-Base interactions energy: -60.918
where: short stacking energy: -54.336
Base-Backbone interact. energy: -0.359
local terms energy: -91.971443
where:
bonds (distance) C4'-P energy: -21.260
bonds (distance) P-C4' energy: -29.413
flat angles C4'-P-C4' energy: -27.787
flat angles P-C4'-P energy: -19.075
tors. eta vs tors. theta energy: 5.564
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: 2
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -547.573297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.573297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.573297 (E_RNA)
where:
Base-Base interactions energy: -372.314
where: short stacking energy: -154.771
Base-Backbone interact. energy: -1.019
local terms energy: -174.240277
where:
bonds (distance) C4'-P energy: -33.874
bonds (distance) P-C4' energy: -37.617
flat angles C4'-P-C4' energy: -33.603
flat angles P-C4'-P energy: -22.743
tors. eta vs tors. theta energy: -46.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -501.478965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.478965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.478965 (E_RNA)
where:
Base-Base interactions energy: -341.072
where: short stacking energy: -146.696
Base-Backbone interact. energy: -0.033
local terms energy: -160.373737
where:
bonds (distance) C4'-P energy: -26.703
bonds (distance) P-C4' energy: -36.592
flat angles C4'-P-C4' energy: -30.603
flat angles P-C4'-P energy: -22.961
tors. eta vs tors. theta energy: -43.515
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: 3, replica: 7
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -478.312391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.312391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.312391 (E_RNA)
where:
Base-Base interactions energy: -320.926
where: short stacking energy: -146.633
Base-Backbone interact. energy: 0.092
local terms energy: -157.479034
where:
bonds (distance) C4'-P energy: -24.865
bonds (distance) P-C4' energy: -32.865
flat angles C4'-P-C4' energy: -33.954
flat angles P-C4'-P energy: -21.336
tors. eta vs tors. theta energy: -44.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -459.679657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.679657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.679657 (E_RNA)
where:
Base-Base interactions energy: -306.131
where: short stacking energy: -148.868
Base-Backbone interact. energy: 3.435
local terms energy: -156.984192
where:
bonds (distance) C4'-P energy: -28.983
bonds (distance) P-C4' energy: -33.082
flat angles C4'-P-C4' energy: -29.623
flat angles P-C4'-P energy: -19.997
tors. eta vs tors. theta energy: -45.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -426.093375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.093375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.093375 (E_RNA)
where:
Base-Base interactions energy: -258.411
where: short stacking energy: -137.192
Base-Backbone interact. energy: -0.504
local terms energy: -167.178238
where:
bonds (distance) C4'-P energy: -30.498
bonds (distance) P-C4' energy: -33.247
flat angles C4'-P-C4' energy: -37.625
flat angles P-C4'-P energy: -25.051
tors. eta vs tors. theta energy: -40.757
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: 1
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -389.611716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.611716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.611716 (E_RNA)
where:
Base-Base interactions energy: -262.549
where: short stacking energy: -120.809
Base-Backbone interact. energy: -0.170
local terms energy: -126.892284
where:
bonds (distance) C4'-P energy: -18.099
bonds (distance) P-C4' energy: -24.951
flat angles C4'-P-C4' energy: -34.368
flat angles P-C4'-P energy: -18.986
tors. eta vs tors. theta energy: -30.487
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: 70
Temperature: 1.200000
Total energy: -337.430180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.430180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.430180 (E_RNA)
where:
Base-Base interactions energy: -212.837
where: short stacking energy: -105.940
Base-Backbone interact. energy: -0.785
local terms energy: -123.807895
where:
bonds (distance) C4'-P energy: -18.019
bonds (distance) P-C4' energy: -23.917
flat angles C4'-P-C4' energy: -31.026
flat angles P-C4'-P energy: -17.584
tors. eta vs tors. theta energy: -33.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -155.847486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.847486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.847486 (E_RNA)
where:
Base-Base interactions energy: -57.281
where: short stacking energy: -39.179
Base-Backbone interact. energy: 2.108
local terms energy: -100.674632
where:
bonds (distance) C4'-P energy: -29.608
bonds (distance) P-C4' energy: -30.868
flat angles C4'-P-C4' energy: -25.374
flat angles P-C4'-P energy: -19.945
tors. eta vs tors. theta energy: 5.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -176.671116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.671116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.671116 (E_RNA)
where:
Base-Base interactions energy: -62.719
where: short stacking energy: -55.857
Base-Backbone interact. energy: 1.059
local terms energy: -115.011237
where:
bonds (distance) C4'-P energy: -27.605
bonds (distance) P-C4' energy: -31.871
flat angles C4'-P-C4' energy: -25.528
flat angles P-C4'-P energy: -19.539
tors. eta vs tors. theta energy: -10.468
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: 4
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -153.652904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.652904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.652904 (E_RNA)
where:
Base-Base interactions energy: -62.024
where: short stacking energy: -52.302
Base-Backbone interact. energy: -0.507
local terms energy: -91.121371
where:
bonds (distance) C4'-P energy: -15.745
bonds (distance) P-C4' energy: -24.117
flat angles C4'-P-C4' energy: -27.441
flat angles P-C4'-P energy: -19.853
tors. eta vs tors. theta energy: -3.966
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: 2
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -559.251170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.251170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.251170 (E_RNA)
where:
Base-Base interactions energy: -383.555
where: short stacking energy: -166.620
Base-Backbone interact. energy: -2.765
local terms energy: -172.930792
where:
bonds (distance) C4'-P energy: -35.756
bonds (distance) P-C4' energy: -31.599
flat angles C4'-P-C4' energy: -31.895
flat angles P-C4'-P energy: -27.371
tors. eta vs tors. theta energy: -46.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -520.537589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.537589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.537589 (E_RNA)
where:
Base-Base interactions energy: -344.317
where: short stacking energy: -159.440
Base-Backbone interact. energy: -1.920
local terms energy: -174.299822
where:
bonds (distance) C4'-P energy: -32.169
bonds (distance) P-C4' energy: -34.229
flat angles C4'-P-C4' energy: -35.338
flat angles P-C4'-P energy: -24.597
tors. eta vs tors. theta energy: -47.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -470.336031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.336031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.336031 (E_RNA)
where:
Base-Base interactions energy: -321.869
where: short stacking energy: -134.646
Base-Backbone interact. energy: -2.044
local terms energy: -146.422622
where:
bonds (distance) C4'-P energy: -29.897
bonds (distance) P-C4' energy: -29.979
flat angles C4'-P-C4' energy: -29.783
flat angles P-C4'-P energy: -16.856
tors. eta vs tors. theta energy: -39.907
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: 71
Temperature: 1.050000
Total energy: -469.364428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.364428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.364428 (E_RNA)
where:
Base-Base interactions energy: -310.177
where: short stacking energy: -148.185
Base-Backbone interact. energy: -0.151
local terms energy: -159.036262
where:
bonds (distance) C4'-P energy: -27.003
bonds (distance) P-C4' energy: -31.343
flat angles C4'-P-C4' energy: -31.531
flat angles P-C4'-P energy: -27.011
tors. eta vs tors. theta energy: -42.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -411.160395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.160395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.160395 (E_RNA)
where:
Base-Base interactions energy: -258.355
where: short stacking energy: -128.183
Base-Backbone interact. energy: -0.331
local terms energy: -152.474370
where:
bonds (distance) C4'-P energy: -26.202
bonds (distance) P-C4' energy: -30.331
flat angles C4'-P-C4' energy: -34.324
flat angles P-C4'-P energy: -24.807
tors. eta vs tors. theta energy: -36.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -386.325336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.325336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.325336 (E_RNA)
where:
Base-Base interactions energy: -260.770
where: short stacking energy: -115.087
Base-Backbone interact. energy: -1.575
local terms energy: -123.980711
where:
bonds (distance) C4'-P energy: -28.106
bonds (distance) P-C4' energy: -18.101
flat angles C4'-P-C4' energy: -30.559
flat angles P-C4'-P energy: -23.714
tors. eta vs tors. theta energy: -23.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -338.722470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.722470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.722470 (E_RNA)
where:
Base-Base interactions energy: -206.274
where: short stacking energy: -100.136
Base-Backbone interact. energy: -0.649
local terms energy: -131.799245
where:
bonds (distance) C4'-P energy: -33.593
bonds (distance) P-C4' energy: -31.087
flat angles C4'-P-C4' energy: -26.512
flat angles P-C4'-P energy: -14.415
tors. eta vs tors. theta energy: -26.193
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: 9
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -157.239272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.239272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.239272 (E_RNA)
where:
Base-Base interactions energy: -69.848
where: short stacking energy: -44.224
Base-Backbone interact. energy: 0.272
local terms energy: -87.663353
where:
bonds (distance) C4'-P energy: -24.677
bonds (distance) P-C4' energy: -24.922
flat angles C4'-P-C4' energy: -27.636
flat angles P-C4'-P energy: -18.712
tors. eta vs tors. theta energy: 8.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -159.740219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.740219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.740219 (E_RNA)
where:
Base-Base interactions energy: -55.538
where: short stacking energy: -49.294
Base-Backbone interact. energy: -0.147
local terms energy: -104.054592
where:
bonds (distance) C4'-P energy: -26.326
bonds (distance) P-C4' energy: -29.587
flat angles C4'-P-C4' energy: -30.833
flat angles P-C4'-P energy: -18.835
tors. eta vs tors. theta energy: 1.526
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: 4
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -149.148877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.148877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.148877 (E_RNA)
where:
Base-Base interactions energy: -60.001
where: short stacking energy: -29.212
Base-Backbone interact. energy: 4.646
local terms energy: -93.794602
where:
bonds (distance) C4'-P energy: -28.161
bonds (distance) P-C4' energy: -24.966
flat angles C4'-P-C4' energy: -24.326
flat angles P-C4'-P energy: -20.832
tors. eta vs tors. theta energy: 4.491
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: 2
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -544.573985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.573985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.573985 (E_RNA)
where:
Base-Base interactions energy: -370.841
where: short stacking energy: -152.664
Base-Backbone interact. energy: -1.364
local terms energy: -172.369466
where:
bonds (distance) C4'-P energy: -34.984
bonds (distance) P-C4' energy: -30.892
flat angles C4'-P-C4' energy: -35.366
flat angles P-C4'-P energy: -24.126
tors. eta vs tors. theta energy: -47.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -510.951842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.951842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.951842 (E_RNA)
where:
Base-Base interactions energy: -342.233
where: short stacking energy: -161.940
Base-Backbone interact. energy: -0.262
local terms energy: -168.457091
where:
bonds (distance) C4'-P energy: -33.436
bonds (distance) P-C4' energy: -35.451
flat angles C4'-P-C4' energy: -35.835
flat angles P-C4'-P energy: -18.582
tors. eta vs tors. theta energy: -45.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -459.448283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.448283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.448283 (E_RNA)
where:
Base-Base interactions energy: -312.029
where: short stacking energy: -126.380
Base-Backbone interact. energy: -0.727
local terms energy: -146.692333
where:
bonds (distance) C4'-P energy: -30.970
bonds (distance) P-C4' energy: -35.159
flat angles C4'-P-C4' energy: -32.854
flat angles P-C4'-P energy: -21.811
tors. eta vs tors. theta energy: -25.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -458.907752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.907752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.907752 (E_RNA)
where:
Base-Base interactions energy: -307.334
where: short stacking energy: -140.439
Base-Backbone interact. energy: 0.110
local terms energy: -151.684715
where:
bonds (distance) C4'-P energy: -31.573
bonds (distance) P-C4' energy: -26.156
flat angles C4'-P-C4' energy: -32.646
flat angles P-C4'-P energy: -19.905
tors. eta vs tors. theta energy: -41.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -398.332042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.332042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.332042 (E_RNA)
where:
Base-Base interactions energy: -251.285
where: short stacking energy: -127.235
Base-Backbone interact. energy: -0.461
local terms energy: -146.586005
where:
bonds (distance) C4'-P energy: -30.097
bonds (distance) P-C4' energy: -30.971
flat angles C4'-P-C4' energy: -32.038
flat angles P-C4'-P energy: -24.609
tors. eta vs tors. theta energy: -28.871
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: 1
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -360.274869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.274869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.274869 (E_RNA)
where:
Base-Base interactions energy: -223.253
where: short stacking energy: -105.422
Base-Backbone interact. energy: -0.142
local terms energy: -136.880275
where:
bonds (distance) C4'-P energy: -26.803
bonds (distance) P-C4' energy: -26.757
flat angles C4'-P-C4' energy: -32.683
flat angles P-C4'-P energy: -23.068
tors. eta vs tors. theta energy: -27.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -339.189515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.189515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.189515 (E_RNA)
where:
Base-Base interactions energy: -208.342
where: short stacking energy: -97.752
Base-Backbone interact. energy: 2.257
local terms energy: -133.104123
where:
bonds (distance) C4'-P energy: -23.055
bonds (distance) P-C4' energy: -28.251
flat angles C4'-P-C4' energy: -29.585
flat angles P-C4'-P energy: -22.826
tors. eta vs tors. theta energy: -29.386
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: 72
Temperature: 1.250000
Total energy: -169.438335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.438335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.438335 (E_RNA)
where:
Base-Base interactions energy: -67.801
where: short stacking energy: -50.165
Base-Backbone interact. energy: -0.614
local terms energy: -101.022690
where:
bonds (distance) C4'-P energy: -29.268
bonds (distance) P-C4' energy: -26.392
flat angles C4'-P-C4' energy: -20.743
flat angles P-C4'-P energy: -19.438
tors. eta vs tors. theta energy: -5.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -245.034254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.034254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.034254 (E_RNA)
where:
Base-Base interactions energy: -141.064
where: short stacking energy: -78.851
Base-Backbone interact. energy: -0.643
local terms energy: -103.326452
where:
bonds (distance) C4'-P energy: -24.554
bonds (distance) P-C4' energy: -24.104
flat angles C4'-P-C4' energy: -27.548
flat angles P-C4'-P energy: -19.036
tors. eta vs tors. theta energy: -8.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -149.431022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.431022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.431022 (E_RNA)
where:
Base-Base interactions energy: -63.678
where: short stacking energy: -62.098
Base-Backbone interact. energy: 0.970
local terms energy: -86.722563
where:
bonds (distance) C4'-P energy: -21.719
bonds (distance) P-C4' energy: -22.554
flat angles C4'-P-C4' energy: -18.684
flat angles P-C4'-P energy: -18.090
tors. eta vs tors. theta energy: -5.674
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: 2
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -542.055837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.055837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.055837 (E_RNA)
where:
Base-Base interactions energy: -382.855
where: short stacking energy: -157.804
Base-Backbone interact. energy: -0.681
local terms energy: -158.519576
where:
bonds (distance) C4'-P energy: -29.678
bonds (distance) P-C4' energy: -26.998
flat angles C4'-P-C4' energy: -34.644
flat angles P-C4'-P energy: -22.613
tors. eta vs tors. theta energy: -44.587
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: 6
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -523.357493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.357493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.357493 (E_RNA)
where:
Base-Base interactions energy: -362.995
where: short stacking energy: -164.608
Base-Backbone interact. energy: -0.259
local terms energy: -160.103369
where:
bonds (distance) C4'-P energy: -31.116
bonds (distance) P-C4' energy: -26.493
flat angles C4'-P-C4' energy: -33.060
flat angles P-C4'-P energy: -23.725
tors. eta vs tors. theta energy: -45.710
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: 5
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -464.674649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.674649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.674649 (E_RNA)
where:
Base-Base interactions energy: -314.533
where: short stacking energy: -128.764
Base-Backbone interact. energy: -0.154
local terms energy: -149.987684
where:
bonds (distance) C4'-P energy: -30.574
bonds (distance) P-C4' energy: -30.445
flat angles C4'-P-C4' energy: -32.355
flat angles P-C4'-P energy: -23.635
tors. eta vs tors. theta energy: -32.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -459.860351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.860351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.860351 (E_RNA)
where:
Base-Base interactions energy: -301.070
where: short stacking energy: -139.547
Base-Backbone interact. energy: -3.215
local terms energy: -155.575251
where:
bonds (distance) C4'-P energy: -24.490
bonds (distance) P-C4' energy: -32.293
flat angles C4'-P-C4' energy: -31.435
flat angles P-C4'-P energy: -26.558
tors. eta vs tors. theta energy: -40.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -417.844027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.844027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.844027 (E_RNA)
where:
Base-Base interactions energy: -273.339
where: short stacking energy: -118.045
Base-Backbone interact. energy: -0.804
local terms energy: -143.700248
where:
bonds (distance) C4'-P energy: -30.261
bonds (distance) P-C4' energy: -37.268
flat angles C4'-P-C4' energy: -28.940
flat angles P-C4'-P energy: -22.152
tors. eta vs tors. theta energy: -25.079
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: 1
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -397.111522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.111522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.111522 (E_RNA)
where:
Base-Base interactions energy: -256.853
where: short stacking energy: -115.859
Base-Backbone interact. energy: -1.021
local terms energy: -139.237566
where:
bonds (distance) C4'-P energy: -29.630
bonds (distance) P-C4' energy: -30.933
flat angles C4'-P-C4' energy: -33.849
flat angles P-C4'-P energy: -13.165
tors. eta vs tors. theta energy: -31.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -328.679212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.679212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.679212 (E_RNA)
where:
Base-Base interactions energy: -201.789
where: short stacking energy: -107.313
Base-Backbone interact. energy: -0.445
local terms energy: -126.445314
where:
bonds (distance) C4'-P energy: -27.236
bonds (distance) P-C4' energy: -26.769
flat angles C4'-P-C4' energy: -23.703
flat angles P-C4'-P energy: -16.268
tors. eta vs tors. theta energy: -32.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -238.533162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.533162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.533162 (E_RNA)
where:
Base-Base interactions energy: -130.135
where: short stacking energy: -75.430
Base-Backbone interact. energy: 4.571
local terms energy: -112.969113
where:
bonds (distance) C4'-P energy: -21.622
bonds (distance) P-C4' energy: -33.254
flat angles C4'-P-C4' energy: -24.922
flat angles P-C4'-P energy: -22.737
tors. eta vs tors. theta energy: -10.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -172.504898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.504898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.504898 (E_RNA)
where:
Base-Base interactions energy: -65.519
where: short stacking energy: -60.948
Base-Backbone interact. energy: -0.615
local terms energy: -106.371442
where:
bonds (distance) C4'-P energy: -31.059
bonds (distance) P-C4' energy: -25.968
flat angles C4'-P-C4' energy: -27.485
flat angles P-C4'-P energy: -15.263
tors. eta vs tors. theta energy: -6.596
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: 4
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -151.747392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.747392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.747392 (E_RNA)
where:
Base-Base interactions energy: -70.153
where: short stacking energy: -52.643
Base-Backbone interact. energy: 2.065
local terms energy: -83.659567
where:
bonds (distance) C4'-P energy: -26.725
bonds (distance) P-C4' energy: -29.189
flat angles C4'-P-C4' energy: -22.472
flat angles P-C4'-P energy: -4.162
tors. eta vs tors. theta energy: -1.112
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: 2
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -555.120482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.120482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.120482 (E_RNA)
where:
Base-Base interactions energy: -390.146
where: short stacking energy: -157.989
Base-Backbone interact. energy: -2.659
local terms energy: -162.316408
where:
bonds (distance) C4'-P energy: -26.521
bonds (distance) P-C4' energy: -36.519
flat angles C4'-P-C4' energy: -28.680
flat angles P-C4'-P energy: -26.339
tors. eta vs tors. theta energy: -44.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -515.034783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.034783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.034783 (E_RNA)
where:
Base-Base interactions energy: -352.162
where: short stacking energy: -153.309
Base-Backbone interact. energy: -0.126
local terms energy: -162.746900
where:
bonds (distance) C4'-P energy: -22.633
bonds (distance) P-C4' energy: -35.741
flat angles C4'-P-C4' energy: -33.582
flat angles P-C4'-P energy: -27.259
tors. eta vs tors. theta energy: -43.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -463.632256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.632256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.632256 (E_RNA)
where:
Base-Base interactions energy: -311.282
where: short stacking energy: -129.145
Base-Backbone interact. energy: -0.903
local terms energy: -151.447411
where:
bonds (distance) C4'-P energy: -27.313
bonds (distance) P-C4' energy: -33.192
flat angles C4'-P-C4' energy: -31.177
flat angles P-C4'-P energy: -20.777
tors. eta vs tors. theta energy: -38.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -460.996986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.996986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.996986 (E_RNA)
where:
Base-Base interactions energy: -318.716
where: short stacking energy: -131.664
Base-Backbone interact. energy: -1.024
local terms energy: -141.256083
where:
bonds (distance) C4'-P energy: -24.852
bonds (distance) P-C4' energy: -34.133
flat angles C4'-P-C4' energy: -25.810
flat angles P-C4'-P energy: -22.269
tors. eta vs tors. theta energy: -34.193
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: 5, replica: 1
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -393.784535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.784535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.784535 (E_RNA)
where:
Base-Base interactions energy: -256.048
where: short stacking energy: -122.427
Base-Backbone interact. energy: 1.154
local terms energy: -138.890716
where:
bonds (distance) C4'-P energy: -33.241
bonds (distance) P-C4' energy: -26.335
flat angles C4'-P-C4' energy: -30.193
flat angles P-C4'-P energy: -23.927
tors. eta vs tors. theta energy: -25.195
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: 10
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -388.514827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.514827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.514827 (E_RNA)
where:
Base-Base interactions energy: -240.555
where: short stacking energy: -114.417
Base-Backbone interact. energy: -0.273
local terms energy: -147.686855
where:
bonds (distance) C4'-P energy: -32.269
bonds (distance) P-C4' energy: -33.204
flat angles C4'-P-C4' energy: -30.341
flat angles P-C4'-P energy: -20.038
tors. eta vs tors. theta energy: -31.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -331.314096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.314096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.314096 (E_RNA)
where:
Base-Base interactions energy: -201.883
where: short stacking energy: -90.493
Base-Backbone interact. energy: -1.701
local terms energy: -127.731035
where:
bonds (distance) C4'-P energy: -32.932
bonds (distance) P-C4' energy: -26.403
flat angles C4'-P-C4' energy: -25.247
flat angles P-C4'-P energy: -21.521
tors. eta vs tors. theta energy: -21.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -253.983876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.983876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.983876 (E_RNA)
where:
Base-Base interactions energy: -136.202
where: short stacking energy: -76.869
Base-Backbone interact. energy: -0.073
local terms energy: -117.709202
where:
bonds (distance) C4'-P energy: -27.936
bonds (distance) P-C4' energy: -27.176
flat angles C4'-P-C4' energy: -28.375
flat angles P-C4'-P energy: -19.638
tors. eta vs tors. theta energy: -14.585
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: 9, replica: 4
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -183.202000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.202000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.202000 (E_RNA)
where:
Base-Base interactions energy: -88.988
where: short stacking energy: -53.224
Base-Backbone interact. energy: -0.253
local terms energy: -93.961264
where:
bonds (distance) C4'-P energy: -25.970
bonds (distance) P-C4' energy: -32.714
flat angles C4'-P-C4' energy: -28.383
flat angles P-C4'-P energy: -4.972
tors. eta vs tors. theta energy: -1.922
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: 74
Temperature: 1.350000
Total energy: -148.277550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.277550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.277550 (E_RNA)
where:
Base-Base interactions energy: -41.299
where: short stacking energy: -37.308
Base-Backbone interact. energy: -0.890
local terms energy: -106.088145
where:
bonds (distance) C4'-P energy: -33.556
bonds (distance) P-C4' energy: -33.331
flat angles C4'-P-C4' energy: -22.528
flat angles P-C4'-P energy: -16.218
tors. eta vs tors. theta energy: -0.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -547.513565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.513565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.513565 (E_RNA)
where:
Base-Base interactions energy: -372.606
where: short stacking energy: -161.505
Base-Backbone interact. energy: -2.136
local terms energy: -172.771284
where:
bonds (distance) C4'-P energy: -36.274
bonds (distance) P-C4' energy: -33.705
flat angles C4'-P-C4' energy: -30.676
flat angles P-C4'-P energy: -22.790
tors. eta vs tors. theta energy: -49.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -519.679460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.679460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.679460 (E_RNA)
where:
Base-Base interactions energy: -355.709
where: short stacking energy: -165.896
Base-Backbone interact. energy: 0.340
local terms energy: -164.311075
where:
bonds (distance) C4'-P energy: -29.382
bonds (distance) P-C4' energy: -29.873
flat angles C4'-P-C4' energy: -33.176
flat angles P-C4'-P energy: -28.037
tors. eta vs tors. theta energy: -43.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -454.582958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.582958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.582958 (E_RNA)
where:
Base-Base interactions energy: -314.807
where: short stacking energy: -127.932
Base-Backbone interact. energy: -1.167
local terms energy: -138.609129
where:
bonds (distance) C4'-P energy: -29.797
bonds (distance) P-C4' energy: -26.703
flat angles C4'-P-C4' energy: -30.539
flat angles P-C4'-P energy: -16.640
tors. eta vs tors. theta energy: -34.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -440.298947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.298947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.298947 (E_RNA)
where:
Base-Base interactions energy: -290.637
where: short stacking energy: -132.717
Base-Backbone interact. energy: -0.112
local terms energy: -149.549896
where:
bonds (distance) C4'-P energy: -32.060
bonds (distance) P-C4' energy: -27.180
flat angles C4'-P-C4' energy: -32.849
flat angles P-C4'-P energy: -18.790
tors. eta vs tors. theta energy: -38.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -408.628710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.628710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.628710 (E_RNA)
where:
Base-Base interactions energy: -268.828
where: short stacking energy: -130.247
Base-Backbone interact. energy: -0.487
local terms energy: -139.313102
where:
bonds (distance) C4'-P energy: -29.032
bonds (distance) P-C4' energy: -24.498
flat angles C4'-P-C4' energy: -32.575
flat angles P-C4'-P energy: -20.424
tors. eta vs tors. theta energy: -32.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -402.172313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.172313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.172313 (E_RNA)
where:
Base-Base interactions energy: -256.793
where: short stacking energy: -120.620
Base-Backbone interact. energy: -0.185
local terms energy: -145.194314
where:
bonds (distance) C4'-P energy: -23.691
bonds (distance) P-C4' energy: -30.106
flat angles C4'-P-C4' energy: -33.239
flat angles P-C4'-P energy: -20.838
tors. eta vs tors. theta energy: -37.320
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: 8
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -332.418536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.418536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.418536 (E_RNA)
where:
Base-Base interactions energy: -207.552
where: short stacking energy: -101.239
Base-Backbone interact. energy: -0.197
local terms energy: -124.669678
where:
bonds (distance) C4'-P energy: -24.693
bonds (distance) P-C4' energy: -23.645
flat angles C4'-P-C4' energy: -30.662
flat angles P-C4'-P energy: -15.094
tors. eta vs tors. theta energy: -30.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -194.929476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.929476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.929476 (E_RNA)
where:
Base-Base interactions energy: -107.011
where: short stacking energy: -68.120
Base-Backbone interact. energy: -0.484
local terms energy: -87.434308
where:
bonds (distance) C4'-P energy: -20.014
bonds (distance) P-C4' energy: -17.472
flat angles C4'-P-C4' energy: -26.640
flat angles P-C4'-P energy: -13.936
tors. eta vs tors. theta energy: -9.372
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: 3
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -227.287390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.287390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.287390 (E_RNA)
where:
Base-Base interactions energy: -114.282
where: short stacking energy: -66.328
Base-Backbone interact. energy: -0.646
local terms energy: -112.358887
where:
bonds (distance) C4'-P energy: -31.705
bonds (distance) P-C4' energy: -40.340
flat angles C4'-P-C4' energy: -24.035
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -4.857
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: 9
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -156.730872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.730872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.730872 (E_RNA)
where:
Base-Base interactions energy: -61.234
where: short stacking energy: -57.672
Base-Backbone interact. energy: -0.969
local terms energy: -94.528491
where:
bonds (distance) C4'-P energy: -29.510
bonds (distance) P-C4' energy: -27.773
flat angles C4'-P-C4' energy: -22.089
flat angles P-C4'-P energy: -12.619
tors. eta vs tors. theta energy: -2.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -553.518129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.518129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.518129 (E_RNA)
where:
Base-Base interactions energy: -389.438
where: short stacking energy: -162.819
Base-Backbone interact. energy: -0.671
local terms energy: -163.409324
where:
bonds (distance) C4'-P energy: -27.056
bonds (distance) P-C4' energy: -31.050
flat angles C4'-P-C4' energy: -35.094
flat angles P-C4'-P energy: -21.462
tors. eta vs tors. theta energy: -48.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -526.549614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.549614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.549614 (E_RNA)
where:
Base-Base interactions energy: -352.923
where: short stacking energy: -151.166
Base-Backbone interact. energy: -1.052
local terms energy: -172.574475
where:
bonds (distance) C4'-P energy: -31.674
bonds (distance) P-C4' energy: -36.657
flat angles C4'-P-C4' energy: -34.279
flat angles P-C4'-P energy: -19.198
tors. eta vs tors. theta energy: -50.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -488.588912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.588912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.588912 (E_RNA)
where:
Base-Base interactions energy: -330.357
where: short stacking energy: -130.560
Base-Backbone interact. energy: -0.619
local terms energy: -157.612556
where:
bonds (distance) C4'-P energy: -25.792
bonds (distance) P-C4' energy: -33.267
flat angles C4'-P-C4' energy: -39.689
flat angles P-C4'-P energy: -26.665
tors. eta vs tors. theta energy: -32.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -459.416685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.416685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.416685 (E_RNA)
where:
Base-Base interactions energy: -310.280
where: short stacking energy: -138.045
Base-Backbone interact. energy: -1.167
local terms energy: -147.970217
where:
bonds (distance) C4'-P energy: -22.614
bonds (distance) P-C4' energy: -27.111
flat angles C4'-P-C4' energy: -34.751
flat angles P-C4'-P energy: -23.499
tors. eta vs tors. theta energy: -39.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -401.806847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.806847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.806847 (E_RNA)
where:
Base-Base interactions energy: -260.439
where: short stacking energy: -130.570
Base-Backbone interact. energy: -0.164
local terms energy: -141.204058
where:
bonds (distance) C4'-P energy: -25.893
bonds (distance) P-C4' energy: -33.227
flat angles C4'-P-C4' energy: -29.988
flat angles P-C4'-P energy: -17.855
tors. eta vs tors. theta energy: -34.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -409.427646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.427646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.427646 (E_RNA)
where:
Base-Base interactions energy: -282.746
where: short stacking energy: -128.920
Base-Backbone interact. energy: -0.712
local terms energy: -125.969302
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -32.247
flat angles C4'-P-C4' energy: -25.807
flat angles P-C4'-P energy: -21.812
tors. eta vs tors. theta energy: -29.588
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: 7, replica: 8
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -334.579318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.579318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.579318 (E_RNA)
where:
Base-Base interactions energy: -208.977
where: short stacking energy: -103.558
Base-Backbone interact. energy: -0.433
local terms energy: -125.168682
where:
bonds (distance) C4'-P energy: -21.763
bonds (distance) P-C4' energy: -33.190
flat angles C4'-P-C4' energy: -26.334
flat angles P-C4'-P energy: -21.619
tors. eta vs tors. theta energy: -22.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -172.041818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.041818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.041818 (E_RNA)
where:
Base-Base interactions energy: -64.960
where: short stacking energy: -61.068
Base-Backbone interact. energy: 0.642
local terms energy: -107.723794
where:
bonds (distance) C4'-P energy: -31.341
bonds (distance) P-C4' energy: -25.027
flat angles C4'-P-C4' energy: -26.652
flat angles P-C4'-P energy: -13.842
tors. eta vs tors. theta energy: -10.862
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: 3
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -252.794040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.794040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.794040 (E_RNA)
where:
Base-Base interactions energy: -137.602
where: short stacking energy: -80.707
Base-Backbone interact. energy: -0.433
local terms energy: -114.758946
where:
bonds (distance) C4'-P energy: -31.004
bonds (distance) P-C4' energy: -26.846
flat angles C4'-P-C4' energy: -26.955
flat angles P-C4'-P energy: -18.278
tors. eta vs tors. theta energy: -11.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -145.963034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.963034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.963034 (E_RNA)
where:
Base-Base interactions energy: -56.717
where: short stacking energy: -51.617
Base-Backbone interact. energy: -0.358
local terms energy: -88.887944
where:
bonds (distance) C4'-P energy: -20.579
bonds (distance) P-C4' energy: -25.575
flat angles C4'-P-C4' energy: -22.231
flat angles P-C4'-P energy: -16.613
tors. eta vs tors. theta energy: -3.890
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: 2
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -555.323642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.323642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.323642 (E_RNA)
where:
Base-Base interactions energy: -376.364
where: short stacking energy: -162.155
Base-Backbone interact. energy: -1.207
local terms energy: -177.752721
where:
bonds (distance) C4'-P energy: -34.393
bonds (distance) P-C4' energy: -34.753
flat angles C4'-P-C4' energy: -37.512
flat angles P-C4'-P energy: -21.730
tors. eta vs tors. theta energy: -49.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -525.914874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.914874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.914874 (E_RNA)
where:
Base-Base interactions energy: -355.169
where: short stacking energy: -169.351
Base-Backbone interact. energy: -0.085
local terms energy: -170.661205
where:
bonds (distance) C4'-P energy: -29.577
bonds (distance) P-C4' energy: -35.062
flat angles C4'-P-C4' energy: -34.555
flat angles P-C4'-P energy: -20.941
tors. eta vs tors. theta energy: -50.525
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: 3, replica: 7
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -476.296174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.296174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.296174 (E_RNA)
where:
Base-Base interactions energy: -327.138
where: short stacking energy: -154.491
Base-Backbone interact. energy: -1.063
local terms energy: -148.095549
where:
bonds (distance) C4'-P energy: -25.068
bonds (distance) P-C4' energy: -33.172
flat angles C4'-P-C4' energy: -35.586
flat angles P-C4'-P energy: -15.570
tors. eta vs tors. theta energy: -38.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -430.721198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.721198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.721198 (E_RNA)
where:
Base-Base interactions energy: -281.005
where: short stacking energy: -121.866
Base-Backbone interact. energy: -0.253
local terms energy: -149.463303
where:
bonds (distance) C4'-P energy: -28.691
bonds (distance) P-C4' energy: -36.045
flat angles C4'-P-C4' energy: -28.307
flat angles P-C4'-P energy: -19.306
tors. eta vs tors. theta energy: -37.114
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: 10
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -422.833842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.833842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.833842 (E_RNA)
where:
Base-Base interactions energy: -267.820
where: short stacking energy: -143.028
Base-Backbone interact. energy: -0.126
local terms energy: -154.888006
where:
bonds (distance) C4'-P energy: -32.511
bonds (distance) P-C4' energy: -30.550
flat angles C4'-P-C4' energy: -32.356
flat angles P-C4'-P energy: -21.493
tors. eta vs tors. theta energy: -37.978
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: 6, replica: 1
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -406.684360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.684360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.684360 (E_RNA)
where:
Base-Base interactions energy: -256.707
where: short stacking energy: -106.380
Base-Backbone interact. energy: -1.778
local terms energy: -148.199526
where:
bonds (distance) C4'-P energy: -25.633
bonds (distance) P-C4' energy: -34.255
flat angles C4'-P-C4' energy: -36.783
flat angles P-C4'-P energy: -21.186
tors. eta vs tors. theta energy: -30.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -331.405308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.405308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.405308 (E_RNA)
where:
Base-Base interactions energy: -199.138
where: short stacking energy: -109.071
Base-Backbone interact. energy: -0.256
local terms energy: -132.011580
where:
bonds (distance) C4'-P energy: -30.678
bonds (distance) P-C4' energy: -32.139
flat angles C4'-P-C4' energy: -26.530
flat angles P-C4'-P energy: -15.610
tors. eta vs tors. theta energy: -27.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -236.465990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.465990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.465990 (E_RNA)
where:
Base-Base interactions energy: -118.259
where: short stacking energy: -71.522
Base-Backbone interact. energy: -0.128
local terms energy: -118.079013
where:
bonds (distance) C4'-P energy: -25.375
bonds (distance) P-C4' energy: -29.465
flat angles C4'-P-C4' energy: -30.577
flat angles P-C4'-P energy: -18.560
tors. eta vs tors. theta energy: -14.102
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: 9, replica: 4
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -189.891975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.891975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.891975 (E_RNA)
where:
Base-Base interactions energy: -100.807
where: short stacking energy: -62.090
Base-Backbone interact. energy: -1.208
local terms energy: -87.876543
where:
bonds (distance) C4'-P energy: -23.338
bonds (distance) P-C4' energy: -24.099
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -13.364
tors. eta vs tors. theta energy: -11.493
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: 9
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -166.421242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.421242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.421242 (E_RNA)
where:
Base-Base interactions energy: -55.284
where: short stacking energy: -48.695
Base-Backbone interact. energy: -0.114
local terms energy: -111.023532
where:
bonds (distance) C4'-P energy: -26.486
bonds (distance) P-C4' energy: -28.360
flat angles C4'-P-C4' energy: -34.135
flat angles P-C4'-P energy: -17.554
tors. eta vs tors. theta energy: -4.488
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: 6
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -536.852959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.852959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.852959 (E_RNA)
where:
Base-Base interactions energy: -355.634
where: short stacking energy: -160.438
Base-Backbone interact. energy: -0.445
local terms energy: -180.774289
where:
bonds (distance) C4'-P energy: -35.293
bonds (distance) P-C4' energy: -35.552
flat angles C4'-P-C4' energy: -34.301
flat angles P-C4'-P energy: -27.215
tors. eta vs tors. theta energy: -48.414
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: 2
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -524.070629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.070629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.070629 (E_RNA)
where:
Base-Base interactions energy: -354.054
where: short stacking energy: -163.011
Base-Backbone interact. energy: -2.019
local terms energy: -167.997055
where:
bonds (distance) C4'-P energy: -35.865
bonds (distance) P-C4' energy: -34.570
flat angles C4'-P-C4' energy: -33.986
flat angles P-C4'-P energy: -23.385
tors. eta vs tors. theta energy: -40.191
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: 7
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -490.694040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.694040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.694040 (E_RNA)
where:
Base-Base interactions energy: -331.435
where: short stacking energy: -141.049
Base-Backbone interact. energy: -0.247
local terms energy: -159.011532
where:
bonds (distance) C4'-P energy: -32.718
bonds (distance) P-C4' energy: -30.728
flat angles C4'-P-C4' energy: -29.619
flat angles P-C4'-P energy: -25.877
tors. eta vs tors. theta energy: -40.070
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: 4, replica: 5
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -449.237332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.237332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.237332 (E_RNA)
where:
Base-Base interactions energy: -307.230
where: short stacking energy: -130.583
Base-Backbone interact. energy: -0.452
local terms energy: -141.555687
where:
bonds (distance) C4'-P energy: -24.023
bonds (distance) P-C4' energy: -28.397
flat angles C4'-P-C4' energy: -32.966
flat angles P-C4'-P energy: -17.023
tors. eta vs tors. theta energy: -39.146
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: 10
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -409.978367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.978367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.978367 (E_RNA)
where:
Base-Base interactions energy: -272.807
where: short stacking energy: -122.563
Base-Backbone interact. energy: 0.230
local terms energy: -137.401736
where:
bonds (distance) C4'-P energy: -32.877
bonds (distance) P-C4' energy: -24.496
flat angles C4'-P-C4' energy: -26.017
flat angles P-C4'-P energy: -21.601
tors. eta vs tors. theta energy: -32.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -403.248157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.248157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.248157 (E_RNA)
where:
Base-Base interactions energy: -271.193
where: short stacking energy: -118.935
Base-Backbone interact. energy: -1.538
local terms energy: -130.516677
where:
bonds (distance) C4'-P energy: -23.202
bonds (distance) P-C4' energy: -28.421
flat angles C4'-P-C4' energy: -33.837
flat angles P-C4'-P energy: -17.157
tors. eta vs tors. theta energy: -27.899
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: 78
Temperature: 1.200000
Total energy: -344.837919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.837919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.837919 (E_RNA)
where:
Base-Base interactions energy: -207.119
where: short stacking energy: -99.322
Base-Backbone interact. energy: -0.995
local terms energy: -136.723352
where:
bonds (distance) C4'-P energy: -32.264
bonds (distance) P-C4' energy: -34.397
flat angles C4'-P-C4' energy: -30.995
flat angles P-C4'-P energy: -16.669
tors. eta vs tors. theta energy: -22.398
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: 3
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -232.665357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.665357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.665357 (E_RNA)
where:
Base-Base interactions energy: -115.658
where: short stacking energy: -81.906
Base-Backbone interact. energy: -0.614
local terms energy: -116.393167
where:
bonds (distance) C4'-P energy: -26.030
bonds (distance) P-C4' energy: -25.329
flat angles C4'-P-C4' energy: -25.686
flat angles P-C4'-P energy: -25.944
tors. eta vs tors. theta energy: -13.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -157.375868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.375868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.375868 (E_RNA)
where:
Base-Base interactions energy: -53.932
where: short stacking energy: -53.932
Base-Backbone interact. energy: -0.555
local terms energy: -102.888431
where:
bonds (distance) C4'-P energy: -28.508
bonds (distance) P-C4' energy: -26.439
flat angles C4'-P-C4' energy: -23.988
flat angles P-C4'-P energy: -17.596
tors. eta vs tors. theta energy: -6.357
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: 4
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -154.896667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.896667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.896667 (E_RNA)
where:
Base-Base interactions energy: -68.229
where: short stacking energy: -59.131
Base-Backbone interact. energy: -0.318
local terms energy: -86.349803
where:
bonds (distance) C4'-P energy: -23.266
bonds (distance) P-C4' energy: -17.853
flat angles C4'-P-C4' energy: -27.507
flat angles P-C4'-P energy: -12.914
tors. eta vs tors. theta energy: -4.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -540.451970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.451970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.451970 (E_RNA)
where:
Base-Base interactions energy: -356.709
where: short stacking energy: -160.953
Base-Backbone interact. energy: -0.007
local terms energy: -183.735527
where:
bonds (distance) C4'-P energy: -34.341
bonds (distance) P-C4' energy: -33.164
flat angles C4'-P-C4' energy: -39.045
flat angles P-C4'-P energy: -24.873
tors. eta vs tors. theta energy: -52.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -530.238824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.238824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.238824 (E_RNA)
where:
Base-Base interactions energy: -355.241
where: short stacking energy: -158.573
Base-Backbone interact. energy: -0.479
local terms energy: -174.518641
where:
bonds (distance) C4'-P energy: -29.919
bonds (distance) P-C4' energy: -35.084
flat angles C4'-P-C4' energy: -34.515
flat angles P-C4'-P energy: -26.158
tors. eta vs tors. theta energy: -48.843
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: 7
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -466.259801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.259801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.259801 (E_RNA)
where:
Base-Base interactions energy: -316.073
where: short stacking energy: -139.541
Base-Backbone interact. energy: -0.423
local terms energy: -149.763098
where:
bonds (distance) C4'-P energy: -31.251
bonds (distance) P-C4' energy: -21.789
flat angles C4'-P-C4' energy: -30.536
flat angles P-C4'-P energy: -24.544
tors. eta vs tors. theta energy: -41.643
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: 5
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -452.438386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.438386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.438386 (E_RNA)
where:
Base-Base interactions energy: -290.262
where: short stacking energy: -135.225
Base-Backbone interact. energy: -0.115
local terms energy: -162.061307
where:
bonds (distance) C4'-P energy: -29.333
bonds (distance) P-C4' energy: -32.045
flat angles C4'-P-C4' energy: -32.243
flat angles P-C4'-P energy: -29.449
tors. eta vs tors. theta energy: -38.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -422.246591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.246591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.246591 (E_RNA)
where:
Base-Base interactions energy: -286.638
where: short stacking energy: -123.171
Base-Backbone interact. energy: -0.923
local terms energy: -134.685680
where:
bonds (distance) C4'-P energy: -26.922
bonds (distance) P-C4' energy: -31.853
flat angles C4'-P-C4' energy: -28.246
flat angles P-C4'-P energy: -15.051
tors. eta vs tors. theta energy: -32.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -420.637123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.637123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.637123 (E_RNA)
where:
Base-Base interactions energy: -268.595
where: short stacking energy: -128.558
Base-Backbone interact. energy: -0.613
local terms energy: -151.429504
where:
bonds (distance) C4'-P energy: -23.154
bonds (distance) P-C4' energy: -36.353
flat angles C4'-P-C4' energy: -36.146
flat angles P-C4'-P energy: -23.483
tors. eta vs tors. theta energy: -32.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -326.936388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.936388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.936388 (E_RNA)
where:
Base-Base interactions energy: -194.953
where: short stacking energy: -102.202
Base-Backbone interact. energy: -0.114
local terms energy: -131.869509
where:
bonds (distance) C4'-P energy: -30.025
bonds (distance) P-C4' energy: -32.224
flat angles C4'-P-C4' energy: -29.079
flat angles P-C4'-P energy: -16.722
tors. eta vs tors. theta energy: -23.820
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: 3
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -232.477511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.477511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.477511 (E_RNA)
where:
Base-Base interactions energy: -122.021
where: short stacking energy: -70.784
Base-Backbone interact. energy: 1.705
local terms energy: -112.161511
where:
bonds (distance) C4'-P energy: -31.883
bonds (distance) P-C4' energy: -23.222
flat angles C4'-P-C4' energy: -30.506
flat angles P-C4'-P energy: -13.986
tors. eta vs tors. theta energy: -12.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -162.104195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.104195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.104195 (E_RNA)
where:
Base-Base interactions energy: -63.015
where: short stacking energy: -49.850
Base-Backbone interact. energy: -2.170
local terms energy: -96.919473
where:
bonds (distance) C4'-P energy: -25.063
bonds (distance) P-C4' energy: -27.989
flat angles C4'-P-C4' energy: -21.762
flat angles P-C4'-P energy: -21.457
tors. eta vs tors. theta energy: -0.649
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: 4
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -145.110875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.110875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.110875 (E_RNA)
where:
Base-Base interactions energy: -44.723
where: short stacking energy: -44.723
Base-Backbone interact. energy: -0.074
local terms energy: -100.313475
where:
bonds (distance) C4'-P energy: -24.048
bonds (distance) P-C4' energy: -29.246
flat angles C4'-P-C4' energy: -34.443
flat angles P-C4'-P energy: -14.761
tors. eta vs tors. theta energy: 2.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -527.538405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.538405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.538405 (E_RNA)
where:
Base-Base interactions energy: -355.385
where: short stacking energy: -171.495
Base-Backbone interact. energy: -0.408
local terms energy: -171.745546
where:
bonds (distance) C4'-P energy: -29.200
bonds (distance) P-C4' energy: -29.180
flat angles C4'-P-C4' energy: -35.846
flat angles P-C4'-P energy: -21.453
tors. eta vs tors. theta energy: -56.066
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: 2, replica: 2
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -523.954702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.954702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.954702 (E_RNA)
where:
Base-Base interactions energy: -356.872
where: short stacking energy: -154.475
Base-Backbone interact. energy: -0.506
local terms energy: -166.576197
where:
bonds (distance) C4'-P energy: -30.857
bonds (distance) P-C4' energy: -29.255
flat angles C4'-P-C4' energy: -33.837
flat angles P-C4'-P energy: -25.917
tors. eta vs tors. theta energy: -46.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -475.233252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.233252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.233252 (E_RNA)
where:
Base-Base interactions energy: -314.622
where: short stacking energy: -134.268
Base-Backbone interact. energy: -1.067
local terms energy: -159.543895
where:
bonds (distance) C4'-P energy: -33.040
bonds (distance) P-C4' energy: -31.977
flat angles C4'-P-C4' energy: -34.499
flat angles P-C4'-P energy: -25.516
tors. eta vs tors. theta energy: -34.512
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: 4, replica: 5
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -448.595959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.595959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.595959 (E_RNA)
where:
Base-Base interactions energy: -315.327
where: short stacking energy: -139.185
Base-Backbone interact. energy: 0.010
local terms energy: -133.278590
where:
bonds (distance) C4'-P energy: -15.376
bonds (distance) P-C4' energy: -33.163
flat angles C4'-P-C4' energy: -27.500
flat angles P-C4'-P energy: -23.466
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: 5, replica: 1
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -427.584091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.584091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.584091 (E_RNA)
where:
Base-Base interactions energy: -278.119
where: short stacking energy: -123.728
Base-Backbone interact. energy: -0.478
local terms energy: -148.987260
where:
bonds (distance) C4'-P energy: -31.634
bonds (distance) P-C4' energy: -35.686
flat angles C4'-P-C4' energy: -26.841
flat angles P-C4'-P energy: -26.315
tors. eta vs tors. theta energy: -28.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -389.905372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.905372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.905372 (E_RNA)
where:
Base-Base interactions energy: -246.813
where: short stacking energy: -122.011
Base-Backbone interact. energy: -0.595
local terms energy: -142.496939
where:
bonds (distance) C4'-P energy: -28.931
bonds (distance) P-C4' energy: -32.292
flat angles C4'-P-C4' energy: -28.997
flat angles P-C4'-P energy: -19.592
tors. eta vs tors. theta energy: -32.685
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: 7, replica: 8
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -329.945487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.945487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.945487 (E_RNA)
where:
Base-Base interactions energy: -208.154
where: short stacking energy: -102.695
Base-Backbone interact. energy: -0.983
local terms energy: -120.808326
where:
bonds (distance) C4'-P energy: -20.598
bonds (distance) P-C4' energy: -26.285
flat angles C4'-P-C4' energy: -33.317
flat angles P-C4'-P energy: -15.300
tors. eta vs tors. theta energy: -25.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -248.041607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.041607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.041607 (E_RNA)
where:
Base-Base interactions energy: -126.101
where: short stacking energy: -81.087
Base-Backbone interact. energy: 3.059
local terms energy: -124.999365
where:
bonds (distance) C4'-P energy: -31.504
bonds (distance) P-C4' energy: -29.441
flat angles C4'-P-C4' energy: -34.556
flat angles P-C4'-P energy: -18.664
tors. eta vs tors. theta energy: -10.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -159.730187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.730187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.730187 (E_RNA)
where:
Base-Base interactions energy: -63.946
where: short stacking energy: -57.055
Base-Backbone interact. energy: 0.138
local terms energy: -95.921973
where:
bonds (distance) C4'-P energy: -27.747
bonds (distance) P-C4' energy: -30.716
flat angles C4'-P-C4' energy: -19.889
flat angles P-C4'-P energy: -15.466
tors. eta vs tors. theta energy: -2.105
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: 9
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -151.682323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.682323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.682323 (E_RNA)
where:
Base-Base interactions energy: -61.879
where: short stacking energy: -61.722
Base-Backbone interact. energy: -0.918
local terms energy: -88.885846
where:
bonds (distance) C4'-P energy: -24.633
bonds (distance) P-C4' energy: -32.981
flat angles C4'-P-C4' energy: -18.283
flat angles P-C4'-P energy: -13.555
tors. eta vs tors. theta energy: 0.566
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: 6
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -530.219305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.219305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.219305 (E_RNA)
where:
Base-Base interactions energy: -357.141
where: short stacking energy: -173.515
Base-Backbone interact. energy: -0.007
local terms energy: -173.071278
where:
bonds (distance) C4'-P energy: -32.610
bonds (distance) P-C4' energy: -28.047
flat angles C4'-P-C4' energy: -36.825
flat angles P-C4'-P energy: -26.710
tors. eta vs tors. theta energy: -48.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -478.325833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.325833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.325833 (E_RNA)
where:
Base-Base interactions energy: -323.642
where: short stacking energy: -125.040
Base-Backbone interact. energy: -0.025
local terms energy: -154.658915
where:
bonds (distance) C4'-P energy: -29.663
bonds (distance) P-C4' energy: -31.040
flat angles C4'-P-C4' energy: -34.660
flat angles P-C4'-P energy: -21.636
tors. eta vs tors. theta energy: -37.660
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: 3, replica: 2
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -518.144066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.144066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.144066 (E_RNA)
where:
Base-Base interactions energy: -337.203
where: short stacking energy: -145.310
Base-Backbone interact. energy: -0.139
local terms energy: -180.801534
where:
bonds (distance) C4'-P energy: -34.196
bonds (distance) P-C4' energy: -35.884
flat angles C4'-P-C4' energy: -36.322
flat angles P-C4'-P energy: -28.616
tors. eta vs tors. theta energy: -45.784
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: 5
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -455.942138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.942138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.942138 (E_RNA)
where:
Base-Base interactions energy: -295.220
where: short stacking energy: -148.006
Base-Backbone interact. energy: -0.506
local terms energy: -160.216116
where:
bonds (distance) C4'-P energy: -24.935
bonds (distance) P-C4' energy: -34.976
flat angles C4'-P-C4' energy: -35.720
flat angles P-C4'-P energy: -24.683
tors. eta vs tors. theta energy: -39.902
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: 5, replica: 1
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -429.723822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.723822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.723822 (E_RNA)
where:
Base-Base interactions energy: -289.549
where: short stacking energy: -135.224
Base-Backbone interact. energy: -0.036
local terms energy: -140.138646
where:
bonds (distance) C4'-P energy: -30.775
bonds (distance) P-C4' energy: -26.120
flat angles C4'-P-C4' energy: -29.637
flat angles P-C4'-P energy: -18.198
tors. eta vs tors. theta energy: -35.408
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: 10
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -386.876081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.876081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.876081 (E_RNA)
where:
Base-Base interactions energy: -248.358
where: short stacking energy: -128.076
Base-Backbone interact. energy: -0.061
local terms energy: -138.457065
where:
bonds (distance) C4'-P energy: -26.508
bonds (distance) P-C4' energy: -30.972
flat angles C4'-P-C4' energy: -34.958
flat angles P-C4'-P energy: -16.828
tors. eta vs tors. theta energy: -29.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -342.361466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.361466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.361466 (E_RNA)
where:
Base-Base interactions energy: -216.405
where: short stacking energy: -104.332
Base-Backbone interact. energy: -0.250
local terms energy: -125.706489
where:
bonds (distance) C4'-P energy: -22.793
bonds (distance) P-C4' energy: -32.126
flat angles C4'-P-C4' energy: -30.777
flat angles P-C4'-P energy: -16.434
tors. eta vs tors. theta energy: -23.576
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: 3
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -240.587842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.587842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.587842 (E_RNA)
where:
Base-Base interactions energy: -132.523
where: short stacking energy: -74.967
Base-Backbone interact. energy: -0.383
local terms energy: -107.681913
where:
bonds (distance) C4'-P energy: -25.346
bonds (distance) P-C4' energy: -30.817
flat angles C4'-P-C4' energy: -21.001
flat angles P-C4'-P energy: -21.104
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: 9, replica: 4
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -157.437001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.437001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.437001 (E_RNA)
where:
Base-Base interactions energy: -52.530
where: short stacking energy: -40.778
Base-Backbone interact. energy: -0.389
local terms energy: -104.518159
where:
bonds (distance) C4'-P energy: -34.541
bonds (distance) P-C4' energy: -23.234
flat angles C4'-P-C4' energy: -27.490
flat angles P-C4'-P energy: -15.374
tors. eta vs tors. theta energy: -3.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -160.989720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.989720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.989720 (E_RNA)
where:
Base-Base interactions energy: -58.689
where: short stacking energy: -50.048
Base-Backbone interact. energy: -1.490
local terms energy: -100.810718
where:
bonds (distance) C4'-P energy: -26.466
bonds (distance) P-C4' energy: -26.165
flat angles C4'-P-C4' energy: -29.296
flat angles P-C4'-P energy: -16.847
tors. eta vs tors. theta energy: -2.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -538.179168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.179168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.179168 (E_RNA)
where:
Base-Base interactions energy: -355.720
where: short stacking energy: -159.349
Base-Backbone interact. energy: -0.006
local terms energy: -182.452794
where:
bonds (distance) C4'-P energy: -36.680
bonds (distance) P-C4' energy: -34.015
flat angles C4'-P-C4' energy: -35.490
flat angles P-C4'-P energy: -24.598
tors. eta vs tors. theta energy: -51.671
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: 2, replica: 7
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -481.012752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.012752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.012752 (E_RNA)
where:
Base-Base interactions energy: -329.142
where: short stacking energy: -124.359
Base-Backbone interact. energy: 0.502
local terms energy: -152.372661
where:
bonds (distance) C4'-P energy: -28.156
bonds (distance) P-C4' energy: -33.653
flat angles C4'-P-C4' energy: -37.647
flat angles P-C4'-P energy: -22.863
tors. eta vs tors. theta energy: -30.053
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: 2
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -516.175883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.175883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.175883 (E_RNA)
where:
Base-Base interactions energy: -348.762
where: short stacking energy: -162.951
Base-Backbone interact. energy: -0.843
local terms energy: -166.570940
where:
bonds (distance) C4'-P energy: -30.503
bonds (distance) P-C4' energy: -36.374
flat angles C4'-P-C4' energy: -31.468
flat angles P-C4'-P energy: -22.492
tors. eta vs tors. theta energy: -45.734
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: 5
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -431.485096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.485096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.485096 (E_RNA)
where:
Base-Base interactions energy: -274.722
where: short stacking energy: -121.883
Base-Backbone interact. energy: -1.640
local terms energy: -155.123553
where:
bonds (distance) C4'-P energy: -34.394
bonds (distance) P-C4' energy: -32.063
flat angles C4'-P-C4' energy: -29.703
flat angles P-C4'-P energy: -23.531
tors. eta vs tors. theta energy: -35.432
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: 1
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -431.135997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.135997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.135997 (E_RNA)
where:
Base-Base interactions energy: -276.341
where: short stacking energy: -124.215
Base-Backbone interact. energy: -2.084
local terms energy: -152.711537
where:
bonds (distance) C4'-P energy: -29.746
bonds (distance) P-C4' energy: -30.693
flat angles C4'-P-C4' energy: -31.432
flat angles P-C4'-P energy: -21.579
tors. eta vs tors. theta energy: -39.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -383.274452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.274452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.274452 (E_RNA)
where:
Base-Base interactions energy: -258.202
where: short stacking energy: -118.137
Base-Backbone interact. energy: -0.236
local terms energy: -124.836597
where:
bonds (distance) C4'-P energy: -19.436
bonds (distance) P-C4' energy: -24.269
flat angles C4'-P-C4' energy: -34.411
flat angles P-C4'-P energy: -17.188
tors. eta vs tors. theta energy: -29.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -337.680262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.680262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.680262 (E_RNA)
where:
Base-Base interactions energy: -200.306
where: short stacking energy: -104.918
Base-Backbone interact. energy: -0.367
local terms energy: -137.007746
where:
bonds (distance) C4'-P energy: -31.992
bonds (distance) P-C4' energy: -29.241
flat angles C4'-P-C4' energy: -31.874
flat angles P-C4'-P energy: -16.670
tors. eta vs tors. theta energy: -27.230
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: 3
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -258.821131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.821131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.821131 (E_RNA)
where:
Base-Base interactions energy: -140.553
where: short stacking energy: -80.377
Base-Backbone interact. energy: -0.486
local terms energy: -117.781677
where:
bonds (distance) C4'-P energy: -28.919
bonds (distance) P-C4' energy: -26.228
flat angles C4'-P-C4' energy: -30.438
flat angles P-C4'-P energy: -19.872
tors. eta vs tors. theta energy: -12.325
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: 9
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -157.979792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.979792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.979792 (E_RNA)
where:
Base-Base interactions energy: -58.881
where: short stacking energy: -42.466
Base-Backbone interact. energy: -1.109
local terms energy: -97.989256
where:
bonds (distance) C4'-P energy: -26.854
bonds (distance) P-C4' energy: -30.122
flat angles C4'-P-C4' energy: -19.571
flat angles P-C4'-P energy: -20.214
tors. eta vs tors. theta energy: -1.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -144.375342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.375342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.375342 (E_RNA)
where:
Base-Base interactions energy: -55.068
where: short stacking energy: -44.830
Base-Backbone interact. energy: -1.079
local terms energy: -88.228420
where:
bonds (distance) C4'-P energy: -24.894
bonds (distance) P-C4' energy: -29.808
flat angles C4'-P-C4' energy: -26.248
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: 4.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -524.071561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.071561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.071561 (E_RNA)
where:
Base-Base interactions energy: -350.847
where: short stacking energy: -161.506
Base-Backbone interact. energy: -0.525
local terms energy: -172.698871
where:
bonds (distance) C4'-P energy: -30.036
bonds (distance) P-C4' energy: -33.824
flat angles C4'-P-C4' energy: -34.537
flat angles P-C4'-P energy: -26.068
tors. eta vs tors. theta energy: -48.233
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: 2
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -530.651526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.651526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.651526 (E_RNA)
where:
Base-Base interactions energy: -372.021
where: short stacking energy: -157.305
Base-Backbone interact. energy: 0.541
local terms energy: -159.170821
where:
bonds (distance) C4'-P energy: -30.738
bonds (distance) P-C4' energy: -24.406
flat angles C4'-P-C4' energy: -38.810
flat angles P-C4'-P energy: -22.046
tors. eta vs tors. theta energy: -43.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -473.736245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.736245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.736245 (E_RNA)
where:
Base-Base interactions energy: -349.088
where: short stacking energy: -144.405
Base-Backbone interact. energy: 0.783
local terms energy: -125.430722
where:
bonds (distance) C4'-P energy: -30.670
bonds (distance) P-C4' energy: -20.408
flat angles C4'-P-C4' energy: -28.884
flat angles P-C4'-P energy: -14.148
tors. eta vs tors. theta energy: -31.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -460.300373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.300373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.300373 (E_RNA)
where:
Base-Base interactions energy: -309.519
where: short stacking energy: -148.908
Base-Backbone interact. energy: -0.306
local terms energy: -150.474718
where:
bonds (distance) C4'-P energy: -32.804
bonds (distance) P-C4' energy: -22.627
flat angles C4'-P-C4' energy: -30.526
flat angles P-C4'-P energy: -23.697
tors. eta vs tors. theta energy: -40.820
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: 1
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -415.881295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.881295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.881295 (E_RNA)
where:
Base-Base interactions energy: -267.216
where: short stacking energy: -123.253
Base-Backbone interact. energy: -0.985
local terms energy: -147.680636
where:
bonds (distance) C4'-P energy: -29.415
bonds (distance) P-C4' energy: -31.031
flat angles C4'-P-C4' energy: -29.658
flat angles P-C4'-P energy: -19.624
tors. eta vs tors. theta energy: -37.953
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: 10
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -363.485689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.485689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.485689 (E_RNA)
where:
Base-Base interactions energy: -231.311
where: short stacking energy: -94.366
Base-Backbone interact. energy: -0.423
local terms energy: -131.751116
where:
bonds (distance) C4'-P energy: -25.868
bonds (distance) P-C4' energy: -36.666
flat angles C4'-P-C4' energy: -27.085
flat angles P-C4'-P energy: -22.659
tors. eta vs tors. theta energy: -19.472
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: 8
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -336.932828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.932828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.932828 (E_RNA)
where:
Base-Base interactions energy: -210.976
where: short stacking energy: -97.064
Base-Backbone interact. energy: -0.457
local terms energy: -125.499632
where:
bonds (distance) C4'-P energy: -27.374
bonds (distance) P-C4' energy: -27.774
flat angles C4'-P-C4' energy: -38.091
flat angles P-C4'-P energy: -16.507
tors. eta vs tors. theta energy: -15.753
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: 3
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -258.238187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.238187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.238187 (E_RNA)
where:
Base-Base interactions energy: -138.364
where: short stacking energy: -76.878
Base-Backbone interact. energy: -1.185
local terms energy: -118.689174
where:
bonds (distance) C4'-P energy: -29.287
bonds (distance) P-C4' energy: -30.147
flat angles C4'-P-C4' energy: -24.761
flat angles P-C4'-P energy: -22.494
tors. eta vs tors. theta energy: -12.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -170.835994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.835994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.835994 (E_RNA)
where:
Base-Base interactions energy: -81.961
where: short stacking energy: -54.593
Base-Backbone interact. energy: -0.083
local terms energy: -88.792447
where:
bonds (distance) C4'-P energy: -32.758
bonds (distance) P-C4' energy: -17.381
flat angles C4'-P-C4' energy: -29.739
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: 2.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -161.411882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.411882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.411882 (E_RNA)
where:
Base-Base interactions energy: -81.872
where: short stacking energy: -44.437
Base-Backbone interact. energy: -2.151
local terms energy: -77.388862
where:
bonds (distance) C4'-P energy: -28.605
bonds (distance) P-C4' energy: -27.878
flat angles C4'-P-C4' energy: -18.347
flat angles P-C4'-P energy: -3.305
tors. eta vs tors. theta energy: 0.746
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: 1, replica: 2
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -538.772442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.772442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.772442 (E_RNA)
where:
Base-Base interactions energy: -374.626
where: short stacking energy: -168.219
Base-Backbone interact. energy: -0.819
local terms energy: -163.326906
where:
bonds (distance) C4'-P energy: -25.978
bonds (distance) P-C4' energy: -26.876
flat angles C4'-P-C4' energy: -36.911
flat angles P-C4'-P energy: -26.302
tors. eta vs tors. theta energy: -47.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -522.845647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.845647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.845647 (E_RNA)
where:
Base-Base interactions energy: -357.298
where: short stacking energy: -163.704
Base-Backbone interact. energy: -0.819
local terms energy: -164.729154
where:
bonds (distance) C4'-P energy: -30.806
bonds (distance) P-C4' energy: -25.650
flat angles C4'-P-C4' energy: -33.750
flat angles P-C4'-P energy: -26.399
tors. eta vs tors. theta energy: -48.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -473.611484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.611484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.611484 (E_RNA)
where:
Base-Base interactions energy: -324.652
where: short stacking energy: -131.029
Base-Backbone interact. energy: 1.562
local terms energy: -150.521006
where:
bonds (distance) C4'-P energy: -31.976
bonds (distance) P-C4' energy: -26.388
flat angles C4'-P-C4' energy: -31.085
flat angles P-C4'-P energy: -19.722
tors. eta vs tors. theta energy: -41.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -460.447768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.447768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.447768 (E_RNA)
where:
Base-Base interactions energy: -303.930
where: short stacking energy: -138.087
Base-Backbone interact. energy: -0.555
local terms energy: -155.962875
where:
bonds (distance) C4'-P energy: -32.180
bonds (distance) P-C4' energy: -31.278
flat angles C4'-P-C4' energy: -32.938
flat angles P-C4'-P energy: -21.636
tors. eta vs tors. theta energy: -37.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -441.686239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.686239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.686239 (E_RNA)
where:
Base-Base interactions energy: -269.390
where: short stacking energy: -130.258
Base-Backbone interact. energy: -0.076
local terms energy: -172.220382
where:
bonds (distance) C4'-P energy: -31.793
bonds (distance) P-C4' energy: -35.427
flat angles C4'-P-C4' energy: -37.427
flat angles P-C4'-P energy: -24.045
tors. eta vs tors. theta energy: -43.528
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: 10
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -365.957713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.957713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.957713 (E_RNA)
where:
Base-Base interactions energy: -246.419
where: short stacking energy: -107.372
Base-Backbone interact. energy: -0.206
local terms energy: -119.332775
where:
bonds (distance) C4'-P energy: -23.187
bonds (distance) P-C4' energy: -33.080
flat angles C4'-P-C4' energy: -27.273
flat angles P-C4'-P energy: -21.425
tors. eta vs tors. theta energy: -14.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -333.695020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.695020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.695020 (E_RNA)
where:
Base-Base interactions energy: -201.797
where: short stacking energy: -106.272
Base-Backbone interact. energy: -1.545
local terms energy: -130.353444
where:
bonds (distance) C4'-P energy: -33.368
bonds (distance) P-C4' energy: -28.228
flat angles C4'-P-C4' energy: -20.606
flat angles P-C4'-P energy: -24.389
tors. eta vs tors. theta energy: -23.763
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: 3
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -244.242743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.242743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.242743 (E_RNA)
where:
Base-Base interactions energy: -132.289
where: short stacking energy: -76.433
Base-Backbone interact. energy: -0.354
local terms energy: -111.599757
where:
bonds (distance) C4'-P energy: -30.528
bonds (distance) P-C4' energy: -22.161
flat angles C4'-P-C4' energy: -27.461
flat angles P-C4'-P energy: -18.226
tors. eta vs tors. theta energy: -13.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -165.683099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.683099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.683099 (E_RNA)
where:
Base-Base interactions energy: -70.105
where: short stacking energy: -63.210
Base-Backbone interact. energy: -0.374
local terms energy: -95.204485
where:
bonds (distance) C4'-P energy: -24.408
bonds (distance) P-C4' energy: -25.855
flat angles C4'-P-C4' energy: -23.395
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -11.231
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: 10, replica: 9
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -159.540713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.540713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.540713 (E_RNA)
where:
Base-Base interactions energy: -53.785
where: short stacking energy: -48.717
Base-Backbone interact. energy: 0.199
local terms energy: -105.954584
where:
bonds (distance) C4'-P energy: -24.388
bonds (distance) P-C4' energy: -32.924
flat angles C4'-P-C4' energy: -26.982
flat angles P-C4'-P energy: -19.490
tors. eta vs tors. theta energy: -2.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -549.136007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.136007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.136007 (E_RNA)
where:
Base-Base interactions energy: -381.309
where: short stacking energy: -150.157
Base-Backbone interact. energy: -2.291
local terms energy: -165.535712
where:
bonds (distance) C4'-P energy: -27.766
bonds (distance) P-C4' energy: -38.148
flat angles C4'-P-C4' energy: -33.970
flat angles P-C4'-P energy: -21.831
tors. eta vs tors. theta energy: -43.820
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: 5
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -474.937575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.937575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.937575 (E_RNA)
where:
Base-Base interactions energy: -324.506
where: short stacking energy: -142.099
Base-Backbone interact. energy: -0.214
local terms energy: -150.216626
where:
bonds (distance) C4'-P energy: -29.647
bonds (distance) P-C4' energy: -31.330
flat angles C4'-P-C4' energy: -29.842
flat angles P-C4'-P energy: -20.085
tors. eta vs tors. theta energy: -39.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -515.116291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.116291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.116291 (E_RNA)
where:
Base-Base interactions energy: -352.214
where: short stacking energy: -168.178
Base-Backbone interact. energy: -0.001
local terms energy: -162.901178
where:
bonds (distance) C4'-P energy: -30.147
bonds (distance) P-C4' energy: -27.425
flat angles C4'-P-C4' energy: -30.650
flat angles P-C4'-P energy: -24.144
tors. eta vs tors. theta energy: -50.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -464.803694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.803694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.803694 (E_RNA)
where:
Base-Base interactions energy: -313.860
where: short stacking energy: -129.950
Base-Backbone interact. energy: -1.826
local terms energy: -149.118264
where:
bonds (distance) C4'-P energy: -27.458
bonds (distance) P-C4' energy: -31.229
flat angles C4'-P-C4' energy: -29.965
flat angles P-C4'-P energy: -23.458
tors. eta vs tors. theta energy: -37.008
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: 1
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -444.893498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.893498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.893498 (E_RNA)
where:
Base-Base interactions energy: -289.813
where: short stacking energy: -136.389
Base-Backbone interact. energy: -1.247
local terms energy: -153.833376
where:
bonds (distance) C4'-P energy: -34.639
bonds (distance) P-C4' energy: -31.079
flat angles C4'-P-C4' energy: -30.429
flat angles P-C4'-P energy: -23.350
tors. eta vs tors. theta energy: -34.336
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: 85
Temperature: 1.150000
Total energy: -364.187034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.187034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.187034 (E_RNA)
where:
Base-Base interactions energy: -224.846
where: short stacking energy: -114.293
Base-Backbone interact. energy: -0.329
local terms energy: -139.011568
where:
bonds (distance) C4'-P energy: -26.722
bonds (distance) P-C4' energy: -32.914
flat angles C4'-P-C4' energy: -26.530
flat angles P-C4'-P energy: -16.436
tors. eta vs tors. theta energy: -36.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -356.902799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.902799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.902799 (E_RNA)
where:
Base-Base interactions energy: -235.194
where: short stacking energy: -100.307
Base-Backbone interact. energy: -0.085
local terms energy: -121.624215
where:
bonds (distance) C4'-P energy: -23.746
bonds (distance) P-C4' energy: -30.957
flat angles C4'-P-C4' energy: -28.768
flat angles P-C4'-P energy: -13.775
tors. eta vs tors. theta energy: -24.379
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: 3
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -250.120694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.120694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.120694 (E_RNA)
where:
Base-Base interactions energy: -138.956
where: short stacking energy: -84.378
Base-Backbone interact. energy: -0.696
local terms energy: -110.468766
where:
bonds (distance) C4'-P energy: -26.230
bonds (distance) P-C4' energy: -30.693
flat angles C4'-P-C4' energy: -26.209
flat angles P-C4'-P energy: -19.299
tors. eta vs tors. theta energy: -8.037
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: 9, replica: 4
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -159.139346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.139346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.139346 (E_RNA)
where:
Base-Base interactions energy: -62.577
where: short stacking energy: -57.787
Base-Backbone interact. energy: -0.542
local terms energy: -96.020289
where:
bonds (distance) C4'-P energy: -24.024
bonds (distance) P-C4' energy: -29.419
flat angles C4'-P-C4' energy: -23.135
flat angles P-C4'-P energy: -13.487
tors. eta vs tors. theta energy: -5.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -151.621126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.621126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.621126 (E_RNA)
where:
Base-Base interactions energy: -50.932
where: short stacking energy: -39.242
Base-Backbone interact. energy: -0.390
local terms energy: -100.298747
where:
bonds (distance) C4'-P energy: -32.085
bonds (distance) P-C4' energy: -26.729
flat angles C4'-P-C4' energy: -27.149
flat angles P-C4'-P energy: -14.607
tors. eta vs tors. theta energy: 0.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -545.831227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.831227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.831227 (E_RNA)
where:
Base-Base interactions energy: -378.807
where: short stacking energy: -150.374
Base-Backbone interact. energy: -0.553
local terms energy: -166.470808
where:
bonds (distance) C4'-P energy: -34.217
bonds (distance) P-C4' energy: -27.348
flat angles C4'-P-C4' energy: -35.443
flat angles P-C4'-P energy: -21.642
tors. eta vs tors. theta energy: -47.822
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: 86
Temperature: 0.950000
Total energy: -474.746984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.746984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.746984 (E_RNA)
where:
Base-Base interactions energy: -320.611
where: short stacking energy: -135.646
Base-Backbone interact. energy: -0.145
local terms energy: -153.990380
where:
bonds (distance) C4'-P energy: -36.387
bonds (distance) P-C4' energy: -30.302
flat angles C4'-P-C4' energy: -31.351
flat angles P-C4'-P energy: -23.900
tors. eta vs tors. theta energy: -32.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -505.995633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.995633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.995633 (E_RNA)
where:
Base-Base interactions energy: -337.635
where: short stacking energy: -158.568
Base-Backbone interact. energy: -1.358
local terms energy: -167.002270
where:
bonds (distance) C4'-P energy: -31.276
bonds (distance) P-C4' energy: -31.901
flat angles C4'-P-C4' energy: -33.431
flat angles P-C4'-P energy: -21.347
tors. eta vs tors. theta energy: -49.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -475.620054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.620054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.620054 (E_RNA)
where:
Base-Base interactions energy: -327.155
where: short stacking energy: -140.041
Base-Backbone interact. energy: -0.975
local terms energy: -147.490150
where:
bonds (distance) C4'-P energy: -24.267
bonds (distance) P-C4' energy: -35.899
flat angles C4'-P-C4' energy: -28.894
flat angles P-C4'-P energy: -22.299
tors. eta vs tors. theta energy: -36.132
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: 1
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -438.726341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.726341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.726341 (E_RNA)
where:
Base-Base interactions energy: -304.298
where: short stacking energy: -134.694
Base-Backbone interact. energy: -0.746
local terms energy: -133.682331
where:
bonds (distance) C4'-P energy: -25.352
bonds (distance) P-C4' energy: -21.310
flat angles C4'-P-C4' energy: -30.360
flat angles P-C4'-P energy: -17.562
tors. eta vs tors. theta energy: -39.098
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: 8
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -333.977554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.977554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.977554 (E_RNA)
where:
Base-Base interactions energy: -203.907
where: short stacking energy: -99.886
Base-Backbone interact. energy: -0.274
local terms energy: -129.796536
where:
bonds (distance) C4'-P energy: -20.331
bonds (distance) P-C4' energy: -32.650
flat angles C4'-P-C4' energy: -32.677
flat angles P-C4'-P energy: -21.109
tors. eta vs tors. theta energy: -23.029
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: 10
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -380.964999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.964999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.964999 (E_RNA)
where:
Base-Base interactions energy: -247.238
where: short stacking energy: -128.620
Base-Backbone interact. energy: -0.320
local terms energy: -133.407690
where:
bonds (distance) C4'-P energy: -30.841
bonds (distance) P-C4' energy: -28.435
flat angles C4'-P-C4' energy: -28.053
flat angles P-C4'-P energy: -12.907
tors. eta vs tors. theta energy: -33.171
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: 3
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -258.116669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.116669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.116669 (E_RNA)
where:
Base-Base interactions energy: -126.084
where: short stacking energy: -84.634
Base-Backbone interact. energy: -0.178
local terms energy: -131.854251
where:
bonds (distance) C4'-P energy: -26.275
bonds (distance) P-C4' energy: -33.870
flat angles C4'-P-C4' energy: -29.455
flat angles P-C4'-P energy: -19.100
tors. eta vs tors. theta energy: -23.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -161.911966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.911966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.911966 (E_RNA)
where:
Base-Base interactions energy: -72.038
where: short stacking energy: -54.765
Base-Backbone interact. energy: -0.569
local terms energy: -89.305363
where:
bonds (distance) C4'-P energy: -23.899
bonds (distance) P-C4' energy: -29.795
flat angles C4'-P-C4' energy: -17.250
flat angles P-C4'-P energy: -15.512
tors. eta vs tors. theta energy: -2.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -151.569434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.569434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.569434 (E_RNA)
where:
Base-Base interactions energy: -54.867
where: short stacking energy: -45.660
Base-Backbone interact. energy: -0.623
local terms energy: -96.079243
where:
bonds (distance) C4'-P energy: -22.978
bonds (distance) P-C4' energy: -26.545
flat angles C4'-P-C4' energy: -27.385
flat angles P-C4'-P energy: -16.672
tors. eta vs tors. theta energy: -2.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -548.494109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.494109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.494109 (E_RNA)
where:
Base-Base interactions energy: -377.447
where: short stacking energy: -144.293
Base-Backbone interact. energy: -1.051
local terms energy: -169.996242
where:
bonds (distance) C4'-P energy: -29.854
bonds (distance) P-C4' energy: -28.650
flat angles C4'-P-C4' energy: -35.951
flat angles P-C4'-P energy: -29.983
tors. eta vs tors. theta energy: -45.559
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: 87
Temperature: 0.950000
Total energy: -521.044439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.044439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.044439 (E_RNA)
where:
Base-Base interactions energy: -358.564
where: short stacking energy: -164.028
Base-Backbone interact. energy: -0.505
local terms energy: -161.974910
where:
bonds (distance) C4'-P energy: -27.636
bonds (distance) P-C4' energy: -28.826
flat angles C4'-P-C4' energy: -36.954
flat angles P-C4'-P energy: -24.317
tors. eta vs tors. theta energy: -44.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -475.956836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.956836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.956836 (E_RNA)
where:
Base-Base interactions energy: -317.092
where: short stacking energy: -140.753
Base-Backbone interact. energy: 1.030
local terms energy: -159.895063
where:
bonds (distance) C4'-P energy: -29.003
bonds (distance) P-C4' energy: -36.229
flat angles C4'-P-C4' energy: -36.493
flat angles P-C4'-P energy: -22.034
tors. eta vs tors. theta energy: -36.137
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: 7
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -475.280466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.280466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.280466 (E_RNA)
where:
Base-Base interactions energy: -314.494
where: short stacking energy: -146.721
Base-Backbone interact. energy: -1.757
local terms energy: -159.029306
where:
bonds (distance) C4'-P energy: -26.520
bonds (distance) P-C4' energy: -36.053
flat angles C4'-P-C4' energy: -29.230
flat angles P-C4'-P energy: -26.741
tors. eta vs tors. theta energy: -40.485
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: 1
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -419.205518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.205518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.205518 (E_RNA)
where:
Base-Base interactions energy: -277.134
where: short stacking energy: -137.772
Base-Backbone interact. energy: -1.437
local terms energy: -140.634480
where:
bonds (distance) C4'-P energy: -21.592
bonds (distance) P-C4' energy: -25.247
flat angles C4'-P-C4' energy: -34.553
flat angles P-C4'-P energy: -21.146
tors. eta vs tors. theta energy: -38.097
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: 10
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -387.944165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.944165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.944165 (E_RNA)
where:
Base-Base interactions energy: -242.778
where: short stacking energy: -129.240
Base-Backbone interact. energy: -0.268
local terms energy: -144.897315
where:
bonds (distance) C4'-P energy: -33.815
bonds (distance) P-C4' energy: -24.402
flat angles C4'-P-C4' energy: -29.779
flat angles P-C4'-P energy: -27.293
tors. eta vs tors. theta energy: -29.608
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: 8
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -342.336309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.336309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.336309 (E_RNA)
where:
Base-Base interactions energy: -216.272
where: short stacking energy: -110.941
Base-Backbone interact. energy: -1.052
local terms energy: -125.011889
where:
bonds (distance) C4'-P energy: -29.815
bonds (distance) P-C4' energy: -22.388
flat angles C4'-P-C4' energy: -29.061
flat angles P-C4'-P energy: -18.402
tors. eta vs tors. theta energy: -25.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -168.629406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.629406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.629406 (E_RNA)
where:
Base-Base interactions energy: -63.603
where: short stacking energy: -63.457
Base-Backbone interact. energy: -0.109
local terms energy: -104.916651
where:
bonds (distance) C4'-P energy: -26.108
bonds (distance) P-C4' energy: -25.708
flat angles C4'-P-C4' energy: -28.615
flat angles P-C4'-P energy: -17.897
tors. eta vs tors. theta energy: -6.588
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: 3
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -230.638484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.638484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.638484 (E_RNA)
where:
Base-Base interactions energy: -124.865
where: short stacking energy: -73.792
Base-Backbone interact. energy: -0.314
local terms energy: -105.459951
where:
bonds (distance) C4'-P energy: -27.761
bonds (distance) P-C4' energy: -33.707
flat angles C4'-P-C4' energy: -25.661
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -6.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -153.202509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.202509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.202509 (E_RNA)
where:
Base-Base interactions energy: -53.861
where: short stacking energy: -53.861
Base-Backbone interact. energy: -0.184
local terms energy: -99.158018
where:
bonds (distance) C4'-P energy: -26.852
bonds (distance) P-C4' energy: -30.682
flat angles C4'-P-C4' energy: -26.023
flat angles P-C4'-P energy: -17.477
tors. eta vs tors. theta energy: 1.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -558.009138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.009138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.009138 (E_RNA)
where:
Base-Base interactions energy: -379.080
where: short stacking energy: -154.478
Base-Backbone interact. energy: -1.762
local terms energy: -177.166952
where:
bonds (distance) C4'-P energy: -37.568
bonds (distance) P-C4' energy: -31.004
flat angles C4'-P-C4' energy: -34.902
flat angles P-C4'-P energy: -27.979
tors. eta vs tors. theta energy: -45.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -522.346960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.346960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.346960 (E_RNA)
where:
Base-Base interactions energy: -359.234
where: short stacking energy: -170.204
Base-Backbone interact. energy: -0.453
local terms energy: -162.659434
where:
bonds (distance) C4'-P energy: -17.839
bonds (distance) P-C4' energy: -29.580
flat angles C4'-P-C4' energy: -40.005
flat angles P-C4'-P energy: -24.928
tors. eta vs tors. theta energy: -50.307
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: 88
Temperature: 1.000000
Total energy: -472.201428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.201428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.201428 (E_RNA)
where:
Base-Base interactions energy: -315.915
where: short stacking energy: -138.828
Base-Backbone interact. energy: -1.227
local terms energy: -155.058825
where:
bonds (distance) C4'-P energy: -32.254
bonds (distance) P-C4' energy: -37.167
flat angles C4'-P-C4' energy: -26.833
flat angles P-C4'-P energy: -21.075
tors. eta vs tors. theta energy: -37.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -463.926293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.926293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.926293 (E_RNA)
where:
Base-Base interactions energy: -319.620
where: short stacking energy: -128.409
Base-Backbone interact. energy: -0.589
local terms energy: -143.716547
where:
bonds (distance) C4'-P energy: -26.195
bonds (distance) P-C4' energy: -30.159
flat angles C4'-P-C4' energy: -30.622
flat angles P-C4'-P energy: -24.161
tors. eta vs tors. theta energy: -32.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -431.094793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.094793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.094793 (E_RNA)
where:
Base-Base interactions energy: -275.699
where: short stacking energy: -130.532
Base-Backbone interact. energy: -0.605
local terms energy: -154.790455
where:
bonds (distance) C4'-P energy: -28.934
bonds (distance) P-C4' energy: -30.797
flat angles C4'-P-C4' energy: -37.261
flat angles P-C4'-P energy: -27.717
tors. eta vs tors. theta energy: -30.081
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: 6, replica: 10
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -394.225553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.225553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.225553 (E_RNA)
where:
Base-Base interactions energy: -260.994
where: short stacking energy: -111.449
Base-Backbone interact. energy: -1.178
local terms energy: -132.053349
where:
bonds (distance) C4'-P energy: -28.783
bonds (distance) P-C4' energy: -37.609
flat angles C4'-P-C4' energy: -30.287
flat angles P-C4'-P energy: -12.785
tors. eta vs tors. theta energy: -22.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -347.208219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.208219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.208219 (E_RNA)
where:
Base-Base interactions energy: -209.825
where: short stacking energy: -100.597
Base-Backbone interact. energy: -0.414
local terms energy: -136.968575
where:
bonds (distance) C4'-P energy: -28.060
bonds (distance) P-C4' energy: -34.171
flat angles C4'-P-C4' energy: -28.269
flat angles P-C4'-P energy: -16.332
tors. eta vs tors. theta energy: -30.136
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: 4
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -168.458519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.458519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.458519 (E_RNA)
where:
Base-Base interactions energy: -65.516
where: short stacking energy: -64.426
Base-Backbone interact. energy: -2.364
local terms energy: -100.578008
where:
bonds (distance) C4'-P energy: -30.170
bonds (distance) P-C4' energy: -32.621
flat angles C4'-P-C4' energy: -26.809
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: 1.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -229.641248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.641248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.641248 (E_RNA)
where:
Base-Base interactions energy: -116.987
where: short stacking energy: -73.844
Base-Backbone interact. energy: -0.489
local terms energy: -112.164615
where:
bonds (distance) C4'-P energy: -34.988
bonds (distance) P-C4' energy: -30.192
flat angles C4'-P-C4' energy: -25.999
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -11.092
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: 9
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -160.576551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.576551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.576551 (E_RNA)
where:
Base-Base interactions energy: -80.802
where: short stacking energy: -67.165
Base-Backbone interact. energy: 0.052
local terms energy: -79.826245
where:
bonds (distance) C4'-P energy: -18.088
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -18.190
flat angles P-C4'-P energy: -17.764
tors. eta vs tors. theta energy: -9.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -558.826008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.826008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.826008 (E_RNA)
where:
Base-Base interactions energy: -384.029
where: short stacking energy: -147.399
Base-Backbone interact. energy: -1.046
local terms energy: -173.751174
where:
bonds (distance) C4'-P energy: -34.503
bonds (distance) P-C4' energy: -31.498
flat angles C4'-P-C4' energy: -33.092
flat angles P-C4'-P energy: -26.067
tors. eta vs tors. theta energy: -48.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -503.577878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.577878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.577878 (E_RNA)
where:
Base-Base interactions energy: -331.609
where: short stacking energy: -149.813
Base-Backbone interact. energy: -0.837
local terms energy: -171.132358
where:
bonds (distance) C4'-P energy: -35.487
bonds (distance) P-C4' energy: -30.783
flat angles C4'-P-C4' energy: -34.375
flat angles P-C4'-P energy: -23.448
tors. eta vs tors. theta energy: -47.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -500.046352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.046352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.046352 (E_RNA)
where:
Base-Base interactions energy: -341.757
where: short stacking energy: -151.067
Base-Backbone interact. energy: -0.243
local terms energy: -158.046687
where:
bonds (distance) C4'-P energy: -27.608
bonds (distance) P-C4' energy: -30.103
flat angles C4'-P-C4' energy: -35.315
flat angles P-C4'-P energy: -24.404
tors. eta vs tors. theta energy: -40.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -459.201996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.201996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.201996 (E_RNA)
where:
Base-Base interactions energy: -303.829
where: short stacking energy: -137.312
Base-Backbone interact. energy: -0.660
local terms energy: -154.712845
where:
bonds (distance) C4'-P energy: -28.604
bonds (distance) P-C4' energy: -30.940
flat angles C4'-P-C4' energy: -34.318
flat angles P-C4'-P energy: -26.326
tors. eta vs tors. theta energy: -34.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -428.995890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.995890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.995890 (E_RNA)
where:
Base-Base interactions energy: -288.921
where: short stacking energy: -133.491
Base-Backbone interact. energy: -0.298
local terms energy: -139.776953
where:
bonds (distance) C4'-P energy: -28.528
bonds (distance) P-C4' energy: -27.587
flat angles C4'-P-C4' energy: -29.201
flat angles P-C4'-P energy: -18.518
tors. eta vs tors. theta energy: -35.943
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: 10
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -389.188626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.188626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.188626 (E_RNA)
where:
Base-Base interactions energy: -246.791
where: short stacking energy: -122.369
Base-Backbone interact. energy: -0.186
local terms energy: -142.211316
where:
bonds (distance) C4'-P energy: -28.935
bonds (distance) P-C4' energy: -31.215
flat angles C4'-P-C4' energy: -32.916
flat angles P-C4'-P energy: -17.979
tors. eta vs tors. theta energy: -31.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -348.800038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.800038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.800038 (E_RNA)
where:
Base-Base interactions energy: -229.946
where: short stacking energy: -116.263
Base-Backbone interact. energy: -0.148
local terms energy: -118.705894
where:
bonds (distance) C4'-P energy: -21.370
bonds (distance) P-C4' energy: -26.558
flat angles C4'-P-C4' energy: -27.575
flat angles P-C4'-P energy: -21.278
tors. eta vs tors. theta energy: -21.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -264.385960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.385960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.385960 (E_RNA)
where:
Base-Base interactions energy: -148.970
where: short stacking energy: -74.596
Base-Backbone interact. energy: -0.477
local terms energy: -114.938845
where:
bonds (distance) C4'-P energy: -26.550
bonds (distance) P-C4' energy: -25.798
flat angles C4'-P-C4' energy: -25.151
flat angles P-C4'-P energy: -20.711
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: 9, replica: 4
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -156.887219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.887219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.887219 (E_RNA)
where:
Base-Base interactions energy: -63.198
where: short stacking energy: -54.916
Base-Backbone interact. energy: 1.594
local terms energy: -95.282658
where:
bonds (distance) C4'-P energy: -21.478
bonds (distance) P-C4' energy: -26.369
flat angles C4'-P-C4' energy: -28.780
flat angles P-C4'-P energy: -18.433
tors. eta vs tors. theta energy: -0.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -155.329130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.329130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.329130 (E_RNA)
where:
Base-Base interactions energy: -57.449
where: short stacking energy: -46.803
Base-Backbone interact. energy: 0.982
local terms energy: -98.861973
where:
bonds (distance) C4'-P energy: -21.046
bonds (distance) P-C4' energy: -31.516
flat angles C4'-P-C4' energy: -25.944
flat angles P-C4'-P energy: -17.741
tors. eta vs tors. theta energy: -2.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -550.619216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.619216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.619216 (E_RNA)
where:
Base-Base interactions energy: -380.052
where: short stacking energy: -162.703
Base-Backbone interact. energy: -1.137
local terms energy: -169.430554
where:
bonds (distance) C4'-P energy: -29.332
bonds (distance) P-C4' energy: -31.912
flat angles C4'-P-C4' energy: -36.799
flat angles P-C4'-P energy: -22.186
tors. eta vs tors. theta energy: -49.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -512.662739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.662739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.662739 (E_RNA)
where:
Base-Base interactions energy: -350.911
where: short stacking energy: -135.998
Base-Backbone interact. energy: -1.492
local terms energy: -160.259253
where:
bonds (distance) C4'-P energy: -28.723
bonds (distance) P-C4' energy: -36.736
flat angles C4'-P-C4' energy: -33.468
flat angles P-C4'-P energy: -17.263
tors. eta vs tors. theta energy: -44.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -467.482808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.482808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.482808 (E_RNA)
where:
Base-Base interactions energy: -303.413
where: short stacking energy: -142.477
Base-Backbone interact. energy: -1.764
local terms energy: -162.305330
where:
bonds (distance) C4'-P energy: -32.788
bonds (distance) P-C4' energy: -30.956
flat angles C4'-P-C4' energy: -28.715
flat angles P-C4'-P energy: -26.435
tors. eta vs tors. theta energy: -43.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -498.552590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.552590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.552590 (E_RNA)
where:
Base-Base interactions energy: -340.187
where: short stacking energy: -170.914
Base-Backbone interact. energy: -0.259
local terms energy: -158.106188
where:
bonds (distance) C4'-P energy: -34.735
bonds (distance) P-C4' energy: -30.039
flat angles C4'-P-C4' energy: -34.557
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -48.531
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: 1
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -443.115271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.115271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.115271 (E_RNA)
where:
Base-Base interactions energy: -294.634
where: short stacking energy: -148.350
Base-Backbone interact. energy: -0.823
local terms energy: -147.657811
where:
bonds (distance) C4'-P energy: -19.807
bonds (distance) P-C4' energy: -34.052
flat angles C4'-P-C4' energy: -35.679
flat angles P-C4'-P energy: -14.890
tors. eta vs tors. theta energy: -43.230
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: 6, replica: 10
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -395.591877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.591877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.591877 (E_RNA)
where:
Base-Base interactions energy: -261.639
where: short stacking energy: -124.397
Base-Backbone interact. energy: -0.730
local terms energy: -133.222911
where:
bonds (distance) C4'-P energy: -20.243
bonds (distance) P-C4' energy: -35.035
flat angles C4'-P-C4' energy: -28.540
flat angles P-C4'-P energy: -16.378
tors. eta vs tors. theta energy: -33.026
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: 8
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -317.752875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.752875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.752875 (E_RNA)
where:
Base-Base interactions energy: -203.137
where: short stacking energy: -115.480
Base-Backbone interact. energy: 1.156
local terms energy: -115.771212
where:
bonds (distance) C4'-P energy: -25.284
bonds (distance) P-C4' energy: -21.606
flat angles C4'-P-C4' energy: -23.911
flat angles P-C4'-P energy: -20.861
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: 8, replica: 3
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -283.913652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.913652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.913652 (E_RNA)
where:
Base-Base interactions energy: -162.228
where: short stacking energy: -88.497
Base-Backbone interact. energy: -0.264
local terms energy: -121.421705
where:
bonds (distance) C4'-P energy: -19.346
bonds (distance) P-C4' energy: -29.955
flat angles C4'-P-C4' energy: -32.400
flat angles P-C4'-P energy: -24.541
tors. eta vs tors. theta energy: -15.180
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: 4
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -159.242416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.242416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.242416 (E_RNA)
where:
Base-Base interactions energy: -57.142
where: short stacking energy: -47.129
Base-Backbone interact. energy: -0.845
local terms energy: -101.255426
where:
bonds (distance) C4'-P energy: -23.307
bonds (distance) P-C4' energy: -34.852
flat angles C4'-P-C4' energy: -24.902
flat angles P-C4'-P energy: -13.896
tors. eta vs tors. theta energy: -4.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -156.343919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.343919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.343919 (E_RNA)
where:
Base-Base interactions energy: -63.218
where: short stacking energy: -40.401
Base-Backbone interact. energy: -0.919
local terms energy: -92.206280
where:
bonds (distance) C4'-P energy: -34.739
bonds (distance) P-C4' energy: -28.941
flat angles C4'-P-C4' energy: -21.797
flat angles P-C4'-P energy: -15.340
tors. eta vs tors. theta energy: 8.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -544.375347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.375347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.375347 (E_RNA)
where:
Base-Base interactions energy: -374.068
where: short stacking energy: -160.101
Base-Backbone interact. energy: -1.517
local terms energy: -168.791025
where:
bonds (distance) C4'-P energy: -30.529
bonds (distance) P-C4' energy: -35.707
flat angles C4'-P-C4' energy: -30.779
flat angles P-C4'-P energy: -26.718
tors. eta vs tors. theta energy: -45.059
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: 91
Temperature: 0.950000
Total energy: -479.898223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.898223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.898223 (E_RNA)
where:
Base-Base interactions energy: -315.311
where: short stacking energy: -149.258
Base-Backbone interact. energy: -0.774
local terms energy: -163.813340
where:
bonds (distance) C4'-P energy: -28.148
bonds (distance) P-C4' energy: -33.179
flat angles C4'-P-C4' energy: -40.245
flat angles P-C4'-P energy: -21.494
tors. eta vs tors. theta energy: -40.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -485.143224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.143224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.143224 (E_RNA)
where:
Base-Base interactions energy: -333.141
where: short stacking energy: -136.504
Base-Backbone interact. energy: 0.126
local terms energy: -152.128314
where:
bonds (distance) C4'-P energy: -28.082
bonds (distance) P-C4' energy: -39.291
flat angles C4'-P-C4' energy: -28.439
flat angles P-C4'-P energy: -21.632
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: 4, replica: 6
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -489.739946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.739946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.739946 (E_RNA)
where:
Base-Base interactions energy: -332.802
where: short stacking energy: -143.780
Base-Backbone interact. energy: -0.654
local terms energy: -156.284123
where:
bonds (distance) C4'-P energy: -30.839
bonds (distance) P-C4' energy: -28.280
flat angles C4'-P-C4' energy: -31.082
flat angles P-C4'-P energy: -22.283
tors. eta vs tors. theta energy: -43.801
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: 1
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -431.736474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.736474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.736474 (E_RNA)
where:
Base-Base interactions energy: -290.941
where: short stacking energy: -140.568
Base-Backbone interact. energy: -0.084
local terms energy: -140.711422
where:
bonds (distance) C4'-P energy: -17.326
bonds (distance) P-C4' energy: -32.399
flat angles C4'-P-C4' energy: -36.327
flat angles P-C4'-P energy: -23.909
tors. eta vs tors. theta energy: -30.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -402.494622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.494622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.494622 (E_RNA)
where:
Base-Base interactions energy: -259.203
where: short stacking energy: -128.540
Base-Backbone interact. energy: -1.183
local terms energy: -142.109294
where:
bonds (distance) C4'-P energy: -31.305
bonds (distance) P-C4' energy: -25.936
flat angles C4'-P-C4' energy: -35.111
flat angles P-C4'-P energy: -21.890
tors. eta vs tors. theta energy: -27.868
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: 8
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -330.116618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.116618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.116618 (E_RNA)
where:
Base-Base interactions energy: -212.687
where: short stacking energy: -119.961
Base-Backbone interact. energy: 0.495
local terms energy: -117.924562
where:
bonds (distance) C4'-P energy: -28.159
bonds (distance) P-C4' energy: -27.610
flat angles C4'-P-C4' energy: -24.708
flat angles P-C4'-P energy: -16.052
tors. eta vs tors. theta energy: -21.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -253.408528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.408528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.408528 (E_RNA)
where:
Base-Base interactions energy: -145.287
where: short stacking energy: -69.944
Base-Backbone interact. energy: 1.010
local terms energy: -109.131506
where:
bonds (distance) C4'-P energy: -28.307
bonds (distance) P-C4' energy: -27.246
flat angles C4'-P-C4' energy: -26.295
flat angles P-C4'-P energy: -21.323
tors. eta vs tors. theta energy: -5.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -176.836608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.836608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.836608 (E_RNA)
where:
Base-Base interactions energy: -79.245
where: short stacking energy: -50.908
Base-Backbone interact. energy: -0.959
local terms energy: -96.631755
where:
bonds (distance) C4'-P energy: -20.760
bonds (distance) P-C4' energy: -34.226
flat angles C4'-P-C4' energy: -24.673
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: -8.291
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: 91
Temperature: 1.350000
Total energy: -171.475224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.475224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.475224 (E_RNA)
where:
Base-Base interactions energy: -78.585
where: short stacking energy: -74.615
Base-Backbone interact. energy: -0.285
local terms energy: -92.605102
where:
bonds (distance) C4'-P energy: -17.641
bonds (distance) P-C4' energy: -25.318
flat angles C4'-P-C4' energy: -18.766
flat angles P-C4'-P energy: -19.120
tors. eta vs tors. theta energy: -11.760
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: 2
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -541.774306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.774306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.774306 (E_RNA)
where:
Base-Base interactions energy: -369.471
where: short stacking energy: -149.722
Base-Backbone interact. energy: -0.718
local terms energy: -171.584682
where:
bonds (distance) C4'-P energy: -35.070
bonds (distance) P-C4' energy: -33.445
flat angles C4'-P-C4' energy: -27.782
flat angles P-C4'-P energy: -31.477
tors. eta vs tors. theta energy: -43.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -491.091230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.091230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.091230 (E_RNA)
where:
Base-Base interactions energy: -325.446
where: short stacking energy: -154.191
Base-Backbone interact. energy: -0.257
local terms energy: -165.388707
where:
bonds (distance) C4'-P energy: -34.333
bonds (distance) P-C4' energy: -30.630
flat angles C4'-P-C4' energy: -33.849
flat angles P-C4'-P energy: -24.420
tors. eta vs tors. theta energy: -42.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -525.119572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.119572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.119572 (E_RNA)
where:
Base-Base interactions energy: -343.136
where: short stacking energy: -163.891
Base-Backbone interact. energy: -0.322
local terms energy: -181.661272
where:
bonds (distance) C4'-P energy: -33.016
bonds (distance) P-C4' energy: -34.946
flat angles C4'-P-C4' energy: -34.869
flat angles P-C4'-P energy: -27.918
tors. eta vs tors. theta energy: -50.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -453.213222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.213222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.213222 (E_RNA)
where:
Base-Base interactions energy: -312.401
where: short stacking energy: -126.452
Base-Backbone interact. energy: -0.194
local terms energy: -140.618121
where:
bonds (distance) C4'-P energy: -22.532
bonds (distance) P-C4' energy: -36.785
flat angles C4'-P-C4' energy: -30.754
flat angles P-C4'-P energy: -20.319
tors. eta vs tors. theta energy: -30.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -405.925517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.925517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.925517 (E_RNA)
where:
Base-Base interactions energy: -278.866
where: short stacking energy: -126.616
Base-Backbone interact. energy: -0.546
local terms energy: -126.513078
where:
bonds (distance) C4'-P energy: -20.526
bonds (distance) P-C4' energy: -26.456
flat angles C4'-P-C4' energy: -36.054
flat angles P-C4'-P energy: -17.173
tors. eta vs tors. theta energy: -26.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -441.617905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.617905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.617905 (E_RNA)
where:
Base-Base interactions energy: -297.048
where: short stacking energy: -145.226
Base-Backbone interact. energy: -0.304
local terms energy: -144.265925
where:
bonds (distance) C4'-P energy: -22.702
bonds (distance) P-C4' energy: -36.407
flat angles C4'-P-C4' energy: -27.156
flat angles P-C4'-P energy: -21.419
tors. eta vs tors. theta energy: -36.583
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: 92
Temperature: 1.200000
Total energy: -328.748416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.748416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.748416 (E_RNA)
where:
Base-Base interactions energy: -213.821
where: short stacking energy: -106.568
Base-Backbone interact. energy: -0.372
local terms energy: -114.554541
where:
bonds (distance) C4'-P energy: -25.525
bonds (distance) P-C4' energy: -31.353
flat angles C4'-P-C4' energy: -23.455
flat angles P-C4'-P energy: -14.184
tors. eta vs tors. theta energy: -20.036
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: 3
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -273.449521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.449521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.449521 (E_RNA)
where:
Base-Base interactions energy: -174.705
where: short stacking energy: -74.428
Base-Backbone interact. energy: -1.426
local terms energy: -97.318985
where:
bonds (distance) C4'-P energy: -25.788
bonds (distance) P-C4' energy: -25.885
flat angles C4'-P-C4' energy: -19.411
flat angles P-C4'-P energy: -15.619
tors. eta vs tors. theta energy: -10.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -156.713380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.713380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.713380 (E_RNA)
where:
Base-Base interactions energy: -43.958
where: short stacking energy: -43.035
Base-Backbone interact. energy: 0.305
local terms energy: -113.060256
where:
bonds (distance) C4'-P energy: -28.083
bonds (distance) P-C4' energy: -31.676
flat angles C4'-P-C4' energy: -28.471
flat angles P-C4'-P energy: -18.553
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: 9
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -153.395790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.395790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.395790 (E_RNA)
where:
Base-Base interactions energy: -61.954
where: short stacking energy: -61.332
Base-Backbone interact. energy: -1.064
local terms energy: -90.377625
where:
bonds (distance) C4'-P energy: -29.837
bonds (distance) P-C4' energy: -22.643
flat angles C4'-P-C4' energy: -21.747
flat angles P-C4'-P energy: -12.966
tors. eta vs tors. theta energy: -3.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -559.834779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.834779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.834779 (E_RNA)
where:
Base-Base interactions energy: -394.644
where: short stacking energy: -158.128
Base-Backbone interact. energy: -0.390
local terms energy: -164.800955
where:
bonds (distance) C4'-P energy: -31.471
bonds (distance) P-C4' energy: -27.238
flat angles C4'-P-C4' energy: -31.857
flat angles P-C4'-P energy: -27.883
tors. eta vs tors. theta energy: -46.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -514.613684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.613684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.613684 (E_RNA)
where:
Base-Base interactions energy: -362.660
where: short stacking energy: -162.652
Base-Backbone interact. energy: -0.590
local terms energy: -151.363130
where:
bonds (distance) C4'-P energy: -30.838
bonds (distance) P-C4' energy: -21.729
flat angles C4'-P-C4' energy: -31.117
flat angles P-C4'-P energy: -19.249
tors. eta vs tors. theta energy: -48.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -476.176580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.176580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.176580 (E_RNA)
where:
Base-Base interactions energy: -314.539
where: short stacking energy: -134.671
Base-Backbone interact. energy: -1.055
local terms energy: -160.582715
where:
bonds (distance) C4'-P energy: -32.409
bonds (distance) P-C4' energy: -30.892
flat angles C4'-P-C4' energy: -34.637
flat angles P-C4'-P energy: -19.416
tors. eta vs tors. theta energy: -43.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -451.148609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.148609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.148609 (E_RNA)
where:
Base-Base interactions energy: -290.211
where: short stacking energy: -133.194
Base-Backbone interact. energy: -0.067
local terms energy: -160.869958
where:
bonds (distance) C4'-P energy: -33.483
bonds (distance) P-C4' energy: -30.088
flat angles C4'-P-C4' energy: -33.441
flat angles P-C4'-P energy: -21.990
tors. eta vs tors. theta energy: -41.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -397.357484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.357484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.357484 (E_RNA)
where:
Base-Base interactions energy: -265.386
where: short stacking energy: -111.776
Base-Backbone interact. energy: -0.021
local terms energy: -131.950845
where:
bonds (distance) C4'-P energy: -24.897
bonds (distance) P-C4' energy: -30.773
flat angles C4'-P-C4' energy: -22.558
flat angles P-C4'-P energy: -26.489
tors. eta vs tors. theta energy: -27.233
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: 1
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -421.133549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.133549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.133549 (E_RNA)
where:
Base-Base interactions energy: -285.680
where: short stacking energy: -131.105
Base-Backbone interact. energy: -0.499
local terms energy: -134.954596
where:
bonds (distance) C4'-P energy: -22.117
bonds (distance) P-C4' energy: -23.691
flat angles C4'-P-C4' energy: -28.879
flat angles P-C4'-P energy: -23.991
tors. eta vs tors. theta energy: -36.276
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: 8
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -333.380641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.380641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.380641 (E_RNA)
where:
Base-Base interactions energy: -202.702
where: short stacking energy: -98.295
Base-Backbone interact. energy: -0.815
local terms energy: -129.863740
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -36.316
flat angles C4'-P-C4' energy: -31.158
flat angles P-C4'-P energy: -15.588
tors. eta vs tors. theta energy: -30.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -321.476892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.476892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.476892 (E_RNA)
where:
Base-Base interactions energy: -202.841
where: short stacking energy: -104.762
Base-Backbone interact. energy: -0.798
local terms energy: -117.837583
where:
bonds (distance) C4'-P energy: -26.220
bonds (distance) P-C4' energy: -23.865
flat angles C4'-P-C4' energy: -26.792
flat angles P-C4'-P energy: -21.952
tors. eta vs tors. theta energy: -19.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -161.941976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.941976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.941976 (E_RNA)
where:
Base-Base interactions energy: -60.413
where: short stacking energy: -55.713
Base-Backbone interact. energy: -0.410
local terms energy: -101.118956
where:
bonds (distance) C4'-P energy: -30.416
bonds (distance) P-C4' energy: -29.623
flat angles C4'-P-C4' energy: -27.273
flat angles P-C4'-P energy: -14.282
tors. eta vs tors. theta energy: 0.474
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: 93
Temperature: 1.350000
Total energy: -158.947636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.947636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.947636 (E_RNA)
where:
Base-Base interactions energy: -56.741
where: short stacking energy: -56.279
Base-Backbone interact. energy: -0.292
local terms energy: -101.915194
where:
bonds (distance) C4'-P energy: -34.205
bonds (distance) P-C4' energy: -30.629
flat angles C4'-P-C4' energy: -27.881
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: 0.760
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: 2
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -553.538441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.538441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.538441 (E_RNA)
where:
Base-Base interactions energy: -378.718
where: short stacking energy: -157.781
Base-Backbone interact. energy: -1.976
local terms energy: -172.844865
where:
bonds (distance) C4'-P energy: -32.467
bonds (distance) P-C4' energy: -29.401
flat angles C4'-P-C4' energy: -37.909
flat angles P-C4'-P energy: -27.108
tors. eta vs tors. theta energy: -45.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -516.005097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.005097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.005097 (E_RNA)
where:
Base-Base interactions energy: -342.263
where: short stacking energy: -151.271
Base-Backbone interact. energy: -0.321
local terms energy: -173.420984
where:
bonds (distance) C4'-P energy: -32.333
bonds (distance) P-C4' energy: -26.521
flat angles C4'-P-C4' energy: -38.388
flat angles P-C4'-P energy: -27.160
tors. eta vs tors. theta energy: -49.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -474.422407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.422407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.422407 (E_RNA)
where:
Base-Base interactions energy: -321.363
where: short stacking energy: -154.204
Base-Backbone interact. energy: -0.127
local terms energy: -152.932784
where:
bonds (distance) C4'-P energy: -29.892
bonds (distance) P-C4' energy: -24.861
flat angles C4'-P-C4' energy: -31.437
flat angles P-C4'-P energy: -22.412
tors. eta vs tors. theta energy: -44.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -458.559701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.559701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.559701 (E_RNA)
where:
Base-Base interactions energy: -314.041
where: short stacking energy: -142.716
Base-Backbone interact. energy: -0.997
local terms energy: -143.522104
where:
bonds (distance) C4'-P energy: -30.875
bonds (distance) P-C4' energy: -21.631
flat angles C4'-P-C4' energy: -31.551
flat angles P-C4'-P energy: -21.834
tors. eta vs tors. theta energy: -37.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -440.232844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.232844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.232844 (E_RNA)
where:
Base-Base interactions energy: -285.267
where: short stacking energy: -127.374
Base-Backbone interact. energy: 0.846
local terms energy: -155.811832
where:
bonds (distance) C4'-P energy: -32.779
bonds (distance) P-C4' energy: -33.184
flat angles C4'-P-C4' energy: -34.216
flat angles P-C4'-P energy: -22.336
tors. eta vs tors. theta energy: -33.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -397.533704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.533704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.533704 (E_RNA)
where:
Base-Base interactions energy: -254.666
where: short stacking energy: -126.194
Base-Backbone interact. energy: -0.184
local terms energy: -142.684068
where:
bonds (distance) C4'-P energy: -29.666
bonds (distance) P-C4' energy: -29.531
flat angles C4'-P-C4' energy: -32.791
flat angles P-C4'-P energy: -15.835
tors. eta vs tors. theta energy: -34.862
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: 3
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -320.165583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.165583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.165583 (E_RNA)
where:
Base-Base interactions energy: -205.262
where: short stacking energy: -100.263
Base-Backbone interact. energy: 0.806
local terms energy: -115.709475
where:
bonds (distance) C4'-P energy: -32.883
bonds (distance) P-C4' energy: -25.659
flat angles C4'-P-C4' energy: -20.873
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -26.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -315.036954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.036954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.036954 (E_RNA)
where:
Base-Base interactions energy: -188.414
where: short stacking energy: -98.196
Base-Backbone interact. energy: -0.831
local terms energy: -125.791880
where:
bonds (distance) C4'-P energy: -29.701
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -31.874
flat angles P-C4'-P energy: -21.676
tors. eta vs tors. theta energy: -25.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -158.242940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.242940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.242940 (E_RNA)
where:
Base-Base interactions energy: -63.350
where: short stacking energy: -50.278
Base-Backbone interact. energy: -0.199
local terms energy: -94.693855
where:
bonds (distance) C4'-P energy: -26.833
bonds (distance) P-C4' energy: -29.322
flat angles C4'-P-C4' energy: -21.958
flat angles P-C4'-P energy: -14.056
tors. eta vs tors. theta energy: -2.526
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: 94
Temperature: 1.350000
Total energy: -162.589375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.589375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.589375 (E_RNA)
where:
Base-Base interactions energy: -67.508
where: short stacking energy: -45.129
Base-Backbone interact. energy: -0.721
local terms energy: -94.359649
where:
bonds (distance) C4'-P energy: -27.477
bonds (distance) P-C4' energy: -27.616
flat angles C4'-P-C4' energy: -25.493
flat angles P-C4'-P energy: -12.664
tors. eta vs tors. theta energy: -1.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -541.652243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.652243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.652243 (E_RNA)
where:
Base-Base interactions energy: -379.020
where: short stacking energy: -156.619
Base-Backbone interact. energy: -1.979
local terms energy: -160.653377
where:
bonds (distance) C4'-P energy: -30.136
bonds (distance) P-C4' energy: -30.844
flat angles C4'-P-C4' energy: -34.583
flat angles P-C4'-P energy: -22.233
tors. eta vs tors. theta energy: -42.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -513.587559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.587559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.587559 (E_RNA)
where:
Base-Base interactions energy: -336.985
where: short stacking energy: -174.994
Base-Backbone interact. energy: -0.016
local terms energy: -176.587297
where:
bonds (distance) C4'-P energy: -29.524
bonds (distance) P-C4' energy: -32.807
flat angles C4'-P-C4' energy: -34.893
flat angles P-C4'-P energy: -27.465
tors. eta vs tors. theta energy: -51.898
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: 5
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -474.388084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.388084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.388084 (E_RNA)
where:
Base-Base interactions energy: -321.227
where: short stacking energy: -149.715
Base-Backbone interact. energy: -0.106
local terms energy: -153.054734
where:
bonds (distance) C4'-P energy: -30.635
bonds (distance) P-C4' energy: -29.072
flat angles C4'-P-C4' energy: -31.709
flat angles P-C4'-P energy: -22.655
tors. eta vs tors. theta energy: -38.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -444.939155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.939155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.939155 (E_RNA)
where:
Base-Base interactions energy: -293.845
where: short stacking energy: -129.051
Base-Backbone interact. energy: -2.327
local terms energy: -148.767592
where:
bonds (distance) C4'-P energy: -31.237
bonds (distance) P-C4' energy: -35.402
flat angles C4'-P-C4' energy: -33.869
flat angles P-C4'-P energy: -22.017
tors. eta vs tors. theta energy: -26.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -434.484432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.484432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.484432 (E_RNA)
where:
Base-Base interactions energy: -285.623
where: short stacking energy: -133.706
Base-Backbone interact. energy: -1.860
local terms energy: -147.001166
where:
bonds (distance) C4'-P energy: -28.814
bonds (distance) P-C4' energy: -32.032
flat angles C4'-P-C4' energy: -32.438
flat angles P-C4'-P energy: -18.070
tors. eta vs tors. theta energy: -35.647
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: 6, replica: 10
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -397.559963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.559963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.559963 (E_RNA)
where:
Base-Base interactions energy: -267.400
where: short stacking energy: -129.244
Base-Backbone interact. energy: -0.350
local terms energy: -129.809152
where:
bonds (distance) C4'-P energy: -29.238
bonds (distance) P-C4' energy: -23.892
flat angles C4'-P-C4' energy: -28.384
flat angles P-C4'-P energy: -20.301
tors. eta vs tors. theta energy: -27.994
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: 3
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -334.095663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.095663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.095663 (E_RNA)
where:
Base-Base interactions energy: -205.273
where: short stacking energy: -103.532
Base-Backbone interact. energy: -1.228
local terms energy: -127.594740
where:
bonds (distance) C4'-P energy: -25.242
bonds (distance) P-C4' energy: -27.016
flat angles C4'-P-C4' energy: -25.222
flat angles P-C4'-P energy: -24.980
tors. eta vs tors. theta energy: -25.134
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: 8
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -304.830184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.830184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.830184 (E_RNA)
where:
Base-Base interactions energy: -185.251
where: short stacking energy: -97.224
Base-Backbone interact. energy: -0.023
local terms energy: -119.556305
where:
bonds (distance) C4'-P energy: -28.636
bonds (distance) P-C4' energy: -25.835
flat angles C4'-P-C4' energy: -25.198
flat angles P-C4'-P energy: -17.300
tors. eta vs tors. theta energy: -22.588
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: 4
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -158.840900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.840900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.840900 (E_RNA)
where:
Base-Base interactions energy: -60.000
where: short stacking energy: -48.396
Base-Backbone interact. energy: -0.177
local terms energy: -98.663981
where:
bonds (distance) C4'-P energy: -27.757
bonds (distance) P-C4' energy: -24.489
flat angles C4'-P-C4' energy: -18.738
flat angles P-C4'-P energy: -14.563
tors. eta vs tors. theta energy: -13.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -166.131509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.131509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.131509 (E_RNA)
where:
Base-Base interactions energy: -66.225
where: short stacking energy: -60.421
Base-Backbone interact. energy: 3.366
local terms energy: -103.272989
where:
bonds (distance) C4'-P energy: -30.904
bonds (distance) P-C4' energy: -22.151
flat angles C4'-P-C4' energy: -23.646
flat angles P-C4'-P energy: -18.728
tors. eta vs tors. theta energy: -7.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -512.932253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.932253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.932253 (E_RNA)
where:
Base-Base interactions energy: -338.053
where: short stacking energy: -167.670
Base-Backbone interact. energy: -0.305
local terms energy: -174.574768
where:
bonds (distance) C4'-P energy: -29.949
bonds (distance) P-C4' energy: -35.155
flat angles C4'-P-C4' energy: -35.699
flat angles P-C4'-P energy: -27.335
tors. eta vs tors. theta energy: -46.437
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: 2
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -531.394712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.394712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.394712 (E_RNA)
where:
Base-Base interactions energy: -366.998
where: short stacking energy: -156.746
Base-Backbone interact. energy: -1.066
local terms energy: -163.331547
where:
bonds (distance) C4'-P energy: -32.496
bonds (distance) P-C4' energy: -28.803
flat angles C4'-P-C4' energy: -31.366
flat angles P-C4'-P energy: -26.067
tors. eta vs tors. theta energy: -44.600
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: 7
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -453.723126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.723126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.723126 (E_RNA)
where:
Base-Base interactions energy: -298.261
where: short stacking energy: -118.707
Base-Backbone interact. energy: -0.816
local terms energy: -154.645929
where:
bonds (distance) C4'-P energy: -29.585
bonds (distance) P-C4' energy: -35.135
flat angles C4'-P-C4' energy: -38.402
flat angles P-C4'-P energy: -20.379
tors. eta vs tors. theta energy: -31.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -450.186779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.186779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.186779 (E_RNA)
where:
Base-Base interactions energy: -295.699
where: short stacking energy: -120.829
Base-Backbone interact. energy: -1.016
local terms energy: -153.472341
where:
bonds (distance) C4'-P energy: -27.495
bonds (distance) P-C4' energy: -31.280
flat angles C4'-P-C4' energy: -31.279
flat angles P-C4'-P energy: -24.330
tors. eta vs tors. theta energy: -39.089
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: 10
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -380.764024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.764024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.764024 (E_RNA)
where:
Base-Base interactions energy: -250.583
where: short stacking energy: -116.155
Base-Backbone interact. energy: -0.150
local terms energy: -130.031043
where:
bonds (distance) C4'-P energy: -29.790
bonds (distance) P-C4' energy: -27.048
flat angles C4'-P-C4' energy: -22.101
flat angles P-C4'-P energy: -23.480
tors. eta vs tors. theta energy: -27.611
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: 1
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -426.796108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.796108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.796108 (E_RNA)
where:
Base-Base interactions energy: -282.070
where: short stacking energy: -122.207
Base-Backbone interact. energy: -0.748
local terms energy: -143.978892
where:
bonds (distance) C4'-P energy: -27.935
bonds (distance) P-C4' energy: -28.707
flat angles C4'-P-C4' energy: -30.359
flat angles P-C4'-P energy: -22.678
tors. eta vs tors. theta energy: -34.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -334.450917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.450917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.450917 (E_RNA)
where:
Base-Base interactions energy: -205.979
where: short stacking energy: -114.366
Base-Backbone interact. energy: -1.180
local terms energy: -127.292145
where:
bonds (distance) C4'-P energy: -29.637
bonds (distance) P-C4' energy: -25.367
flat angles C4'-P-C4' energy: -32.452
flat angles P-C4'-P energy: -15.784
tors. eta vs tors. theta energy: -24.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -291.817310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.817310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.817310 (E_RNA)
where:
Base-Base interactions energy: -172.990
where: short stacking energy: -77.508
Base-Backbone interact. energy: -1.854
local terms energy: -116.973391
where:
bonds (distance) C4'-P energy: -24.521
bonds (distance) P-C4' energy: -28.366
flat angles C4'-P-C4' energy: -28.587
flat angles P-C4'-P energy: -23.517
tors. eta vs tors. theta energy: -11.983
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: 4
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -150.791878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.791878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.791878 (E_RNA)
where:
Base-Base interactions energy: -50.264
where: short stacking energy: -36.984
Base-Backbone interact. energy: -0.476
local terms energy: -100.051262
where:
bonds (distance) C4'-P energy: -30.243
bonds (distance) P-C4' energy: -28.943
flat angles C4'-P-C4' energy: -29.821
flat angles P-C4'-P energy: -15.504
tors. eta vs tors. theta energy: 4.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -147.296911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.296911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.296911 (E_RNA)
where:
Base-Base interactions energy: -47.909
where: short stacking energy: -40.526
Base-Backbone interact. energy: 5.448
local terms energy: -104.835217
where:
bonds (distance) C4'-P energy: -27.411
bonds (distance) P-C4' energy: -29.291
flat angles C4'-P-C4' energy: -29.364
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -7.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -516.520173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.520173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.520173 (E_RNA)
where:
Base-Base interactions energy: -347.889
where: short stacking energy: -158.533
Base-Backbone interact. energy: -0.251
local terms energy: -168.380661
where:
bonds (distance) C4'-P energy: -31.510
bonds (distance) P-C4' energy: -29.134
flat angles C4'-P-C4' energy: -33.559
flat angles P-C4'-P energy: -30.764
tors. eta vs tors. theta energy: -43.413
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: 2
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -540.446375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.446375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.446375 (E_RNA)
where:
Base-Base interactions energy: -380.236
where: short stacking energy: -156.370
Base-Backbone interact. energy: -2.193
local terms energy: -158.018002
where:
bonds (distance) C4'-P energy: -27.052
bonds (distance) P-C4' energy: -29.226
flat angles C4'-P-C4' energy: -30.996
flat angles P-C4'-P energy: -28.264
tors. eta vs tors. theta energy: -42.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -451.015606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.015606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.015606 (E_RNA)
where:
Base-Base interactions energy: -302.628
where: short stacking energy: -131.571
Base-Backbone interact. energy: -0.395
local terms energy: -147.992329
where:
bonds (distance) C4'-P energy: -31.779
bonds (distance) P-C4' energy: -29.774
flat angles C4'-P-C4' energy: -34.528
flat angles P-C4'-P energy: -17.865
tors. eta vs tors. theta energy: -34.045
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: 5
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -456.406563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.406563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.406563 (E_RNA)
where:
Base-Base interactions energy: -307.594
where: short stacking energy: -145.088
Base-Backbone interact. energy: -1.264
local terms energy: -147.548086
where:
bonds (distance) C4'-P energy: -26.289
bonds (distance) P-C4' energy: -25.763
flat angles C4'-P-C4' energy: -36.036
flat angles P-C4'-P energy: -23.921
tors. eta vs tors. theta energy: -35.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -395.284810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.284810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.284810 (E_RNA)
where:
Base-Base interactions energy: -252.799
where: short stacking energy: -116.435
Base-Backbone interact. energy: -0.741
local terms energy: -141.744875
where:
bonds (distance) C4'-P energy: -26.319
bonds (distance) P-C4' energy: -33.196
flat angles C4'-P-C4' energy: -29.557
flat angles P-C4'-P energy: -28.634
tors. eta vs tors. theta energy: -24.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -415.637813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.637813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.637813 (E_RNA)
where:
Base-Base interactions energy: -268.790
where: short stacking energy: -135.625
Base-Backbone interact. energy: -2.418
local terms energy: -144.430487
where:
bonds (distance) C4'-P energy: -20.151
bonds (distance) P-C4' energy: -32.719
flat angles C4'-P-C4' energy: -34.240
flat angles P-C4'-P energy: -24.766
tors. eta vs tors. theta energy: -32.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -339.138483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.138483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.138483 (E_RNA)
where:
Base-Base interactions energy: -202.201
where: short stacking energy: -105.339
Base-Backbone interact. energy: 1.272
local terms energy: -138.210357
where:
bonds (distance) C4'-P energy: -30.625
bonds (distance) P-C4' energy: -32.468
flat angles C4'-P-C4' energy: -26.457
flat angles P-C4'-P energy: -21.446
tors. eta vs tors. theta energy: -27.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -262.458906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.458906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.458906 (E_RNA)
where:
Base-Base interactions energy: -161.419
where: short stacking energy: -81.351
Base-Backbone interact. energy: -0.877
local terms energy: -100.162990
where:
bonds (distance) C4'-P energy: -24.127
bonds (distance) P-C4' energy: -23.455
flat angles C4'-P-C4' energy: -26.550
flat angles P-C4'-P energy: -17.612
tors. eta vs tors. theta energy: -8.419
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: 9, replica: 4
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -180.862967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.862967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.862967 (E_RNA)
where:
Base-Base interactions energy: -81.636
where: short stacking energy: -51.088
Base-Backbone interact. energy: 0.467
local terms energy: -99.693957
where:
bonds (distance) C4'-P energy: -25.413
bonds (distance) P-C4' energy: -26.893
flat angles C4'-P-C4' energy: -19.531
flat angles P-C4'-P energy: -19.119
tors. eta vs tors. theta energy: -8.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -144.166957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.166957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.166957 (E_RNA)
where:
Base-Base interactions energy: -49.975
where: short stacking energy: -38.238
Base-Backbone interact. energy: 0.835
local terms energy: -95.026945
where:
bonds (distance) C4'-P energy: -28.350
bonds (distance) P-C4' energy: -22.279
flat angles C4'-P-C4' energy: -28.979
flat angles P-C4'-P energy: -17.322
tors. eta vs tors. theta energy: 1.903
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: 2
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -544.519877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.519877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.519877 (E_RNA)
where:
Base-Base interactions energy: -385.519
where: short stacking energy: -159.362
Base-Backbone interact. energy: -0.582
local terms energy: -158.418917
where:
bonds (distance) C4'-P energy: -23.262
bonds (distance) P-C4' energy: -33.272
flat angles C4'-P-C4' energy: -35.676
flat angles P-C4'-P energy: -23.769
tors. eta vs tors. theta energy: -42.439
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: 6
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -523.941136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.941136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.941136 (E_RNA)
where:
Base-Base interactions energy: -353.265
where: short stacking energy: -160.951
Base-Backbone interact. energy: -0.078
local terms energy: -170.597835
where:
bonds (distance) C4'-P energy: -31.219
bonds (distance) P-C4' energy: -31.011
flat angles C4'-P-C4' energy: -35.079
flat angles P-C4'-P energy: -23.801
tors. eta vs tors. theta energy: -49.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -442.441250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.441250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.441250 (E_RNA)
where:
Base-Base interactions energy: -298.187
where: short stacking energy: -126.171
Base-Backbone interact. energy: -0.853
local terms energy: -143.401280
where:
bonds (distance) C4'-P energy: -22.084
bonds (distance) P-C4' energy: -36.666
flat angles C4'-P-C4' energy: -32.657
flat angles P-C4'-P energy: -20.316
tors. eta vs tors. theta energy: -31.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -449.386668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.386668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.386668 (E_RNA)
where:
Base-Base interactions energy: -292.836
where: short stacking energy: -137.177
Base-Backbone interact. energy: -0.710
local terms energy: -155.841066
where:
bonds (distance) C4'-P energy: -25.822
bonds (distance) P-C4' energy: -36.596
flat angles C4'-P-C4' energy: -33.239
flat angles P-C4'-P energy: -25.009
tors. eta vs tors. theta energy: -35.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -410.419153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.419153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.419153 (E_RNA)
where:
Base-Base interactions energy: -269.917
where: short stacking energy: -119.827
Base-Backbone interact. energy: -0.336
local terms energy: -140.166493
where:
bonds (distance) C4'-P energy: -29.793
bonds (distance) P-C4' energy: -38.506
flat angles C4'-P-C4' energy: -20.282
flat angles P-C4'-P energy: -18.624
tors. eta vs tors. theta energy: -32.961
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: 10
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -375.676281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.676281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.676281 (E_RNA)
where:
Base-Base interactions energy: -247.236
where: short stacking energy: -112.002
Base-Backbone interact. energy: 0.225
local terms energy: -128.665402
where:
bonds (distance) C4'-P energy: -24.878
bonds (distance) P-C4' energy: -26.886
flat angles C4'-P-C4' energy: -34.127
flat angles P-C4'-P energy: -20.476
tors. eta vs tors. theta energy: -22.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -359.001354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.001354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.001354 (E_RNA)
where:
Base-Base interactions energy: -229.777
where: short stacking energy: -105.039
Base-Backbone interact. energy: 0.097
local terms energy: -129.321112
where:
bonds (distance) C4'-P energy: -23.731
bonds (distance) P-C4' energy: -33.277
flat angles C4'-P-C4' energy: -25.000
flat angles P-C4'-P energy: -19.730
tors. eta vs tors. theta energy: -27.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -278.205787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.205787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.205787 (E_RNA)
where:
Base-Base interactions energy: -172.348
where: short stacking energy: -92.647
Base-Backbone interact. energy: 0.806
local terms energy: -106.663583
where:
bonds (distance) C4'-P energy: -21.288
bonds (distance) P-C4' energy: -30.232
flat angles C4'-P-C4' energy: -23.957
flat angles P-C4'-P energy: -20.321
tors. eta vs tors. theta energy: -10.865
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: 4
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -162.135170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.135170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.135170 (E_RNA)
where:
Base-Base interactions energy: -67.479
where: short stacking energy: -59.780
Base-Backbone interact. energy: -0.224
local terms energy: -94.431849
where:
bonds (distance) C4'-P energy: -22.907
bonds (distance) P-C4' energy: -30.726
flat angles C4'-P-C4' energy: -23.024
flat angles P-C4'-P energy: -14.466
tors. eta vs tors. theta energy: -3.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -140.123066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.123066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.123066 (E_RNA)
where:
Base-Base interactions energy: -58.206
where: short stacking energy: -48.204
Base-Backbone interact. energy: -0.039
local terms energy: -81.877594
where:
bonds (distance) C4'-P energy: -29.686
bonds (distance) P-C4' energy: -26.054
flat angles C4'-P-C4' energy: -25.247
flat angles P-C4'-P energy: -8.389
tors. eta vs tors. theta energy: 7.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -548.908817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.908817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.908817 (E_RNA)
where:
Base-Base interactions energy: -377.678
where: short stacking energy: -155.631
Base-Backbone interact. energy: -0.560
local terms energy: -170.670491
where:
bonds (distance) C4'-P energy: -32.337
bonds (distance) P-C4' energy: -32.119
flat angles C4'-P-C4' energy: -35.457
flat angles P-C4'-P energy: -28.036
tors. eta vs tors. theta energy: -42.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -532.729534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.729534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.729534 (E_RNA)
where:
Base-Base interactions energy: -360.616
where: short stacking energy: -169.842
Base-Backbone interact. energy: -0.864
local terms energy: -171.249625
where:
bonds (distance) C4'-P energy: -32.111
bonds (distance) P-C4' energy: -24.967
flat angles C4'-P-C4' energy: -33.622
flat angles P-C4'-P energy: -28.702
tors. eta vs tors. theta energy: -51.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -441.709040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.709040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.709040 (E_RNA)
where:
Base-Base interactions energy: -298.545
where: short stacking energy: -132.128
Base-Backbone interact. energy: -1.807
local terms energy: -141.357013
where:
bonds (distance) C4'-P energy: -27.163
bonds (distance) P-C4' energy: -34.853
flat angles C4'-P-C4' energy: -31.435
flat angles P-C4'-P energy: -18.299
tors. eta vs tors. theta energy: -29.607
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: 5
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -452.622804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.622804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.622804 (E_RNA)
where:
Base-Base interactions energy: -306.701
where: short stacking energy: -139.476
Base-Backbone interact. energy: -0.715
local terms energy: -145.206988
where:
bonds (distance) C4'-P energy: -31.617
bonds (distance) P-C4' energy: -33.177
flat angles C4'-P-C4' energy: -25.370
flat angles P-C4'-P energy: -20.077
tors. eta vs tors. theta energy: -34.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -402.724398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.724398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.724398 (E_RNA)
where:
Base-Base interactions energy: -260.555
where: short stacking energy: -128.455
Base-Backbone interact. energy: -0.956
local terms energy: -141.213740
where:
bonds (distance) C4'-P energy: -29.733
bonds (distance) P-C4' energy: -31.267
flat angles C4'-P-C4' energy: -31.323
flat angles P-C4'-P energy: -16.683
tors. eta vs tors. theta energy: -32.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -392.952072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.952072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.952072 (E_RNA)
where:
Base-Base interactions energy: -241.126
where: short stacking energy: -127.514
Base-Backbone interact. energy: -0.132
local terms energy: -151.694262
where:
bonds (distance) C4'-P energy: -26.610
bonds (distance) P-C4' energy: -31.011
flat angles C4'-P-C4' energy: -33.706
flat angles P-C4'-P energy: -23.149
tors. eta vs tors. theta energy: -37.217
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: 3
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -350.960582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.960582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.960582 (E_RNA)
where:
Base-Base interactions energy: -218.620
where: short stacking energy: -104.061
Base-Backbone interact. energy: -0.636
local terms energy: -131.705015
where:
bonds (distance) C4'-P energy: -29.565
bonds (distance) P-C4' energy: -23.253
flat angles C4'-P-C4' energy: -32.016
flat angles P-C4'-P energy: -18.362
tors. eta vs tors. theta energy: -28.509
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: 8
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -265.344050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.344050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.344050 (E_RNA)
where:
Base-Base interactions energy: -144.200
where: short stacking energy: -78.989
Base-Backbone interact. energy: -0.878
local terms energy: -120.266493
where:
bonds (distance) C4'-P energy: -31.137
bonds (distance) P-C4' energy: -31.442
flat angles C4'-P-C4' energy: -27.978
flat angles P-C4'-P energy: -17.374
tors. eta vs tors. theta energy: -12.336
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: 9, replica: 4
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -168.559119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.559119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.559119 (E_RNA)
where:
Base-Base interactions energy: -74.989
where: short stacking energy: -41.344
Base-Backbone interact. energy: -1.217
local terms energy: -92.353129
where:
bonds (distance) C4'-P energy: -25.687
bonds (distance) P-C4' energy: -33.115
flat angles C4'-P-C4' energy: -23.473
flat angles P-C4'-P energy: -14.290
tors. eta vs tors. theta energy: 4.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -160.067578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.067578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.067578 (E_RNA)
where:
Base-Base interactions energy: -68.689
where: short stacking energy: -37.578
Base-Backbone interact. energy: -1.688
local terms energy: -89.690774
where:
bonds (distance) C4'-P energy: -22.754
bonds (distance) P-C4' energy: -32.576
flat angles C4'-P-C4' energy: -19.846
flat angles P-C4'-P energy: -13.635
tors. eta vs tors. theta energy: -0.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -542.171351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.171351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.171351 (E_RNA)
where:
Base-Base interactions energy: -365.297
where: short stacking energy: -174.181
Base-Backbone interact. energy: -0.021
local terms energy: -176.852926
where:
bonds (distance) C4'-P energy: -33.363
bonds (distance) P-C4' energy: -34.302
flat angles C4'-P-C4' energy: -34.732
flat angles P-C4'-P energy: -23.380
tors. eta vs tors. theta energy: -51.076
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: 2
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -543.690404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.690404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.690404 (E_RNA)
where:
Base-Base interactions energy: -378.873
where: short stacking energy: -158.133
Base-Backbone interact. energy: -1.463
local terms energy: -163.354057
where:
bonds (distance) C4'-P energy: -31.947
bonds (distance) P-C4' energy: -29.963
flat angles C4'-P-C4' energy: -29.777
flat angles P-C4'-P energy: -27.284
tors. eta vs tors. theta energy: -44.383
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: 3, replica: 5
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -480.749075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.749075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.749075 (E_RNA)
where:
Base-Base interactions energy: -334.363
where: short stacking energy: -131.538
Base-Backbone interact. energy: -0.369
local terms energy: -146.017160
where:
bonds (distance) C4'-P energy: -26.922
bonds (distance) P-C4' energy: -29.994
flat angles C4'-P-C4' energy: -30.865
flat angles P-C4'-P energy: -21.544
tors. eta vs tors. theta energy: -36.692
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: 4, replica: 7
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -417.309567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.309567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.309567 (E_RNA)
where:
Base-Base interactions energy: -272.031
where: short stacking energy: -115.650
Base-Backbone interact. energy: -0.704
local terms energy: -144.574939
where:
bonds (distance) C4'-P energy: -29.725
bonds (distance) P-C4' energy: -33.664
flat angles C4'-P-C4' energy: -31.025
flat angles P-C4'-P energy: -20.158
tors. eta vs tors. theta energy: -30.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -385.329489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.329489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.329489 (E_RNA)
where:
Base-Base interactions energy: -243.845
where: short stacking energy: -113.615
Base-Backbone interact. energy: -1.243
local terms energy: -140.241661
where:
bonds (distance) C4'-P energy: -34.747
bonds (distance) P-C4' energy: -31.998
flat angles C4'-P-C4' energy: -33.965
flat angles P-C4'-P energy: -14.125
tors. eta vs tors. theta energy: -25.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -391.987232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.987232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.987232 (E_RNA)
where:
Base-Base interactions energy: -255.664
where: short stacking energy: -115.151
Base-Backbone interact. energy: -0.389
local terms energy: -135.933736
where:
bonds (distance) C4'-P energy: -28.682
bonds (distance) P-C4' energy: -28.443
flat angles C4'-P-C4' energy: -26.798
flat angles P-C4'-P energy: -22.837
tors. eta vs tors. theta energy: -29.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -344.723605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.723605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.723605 (E_RNA)
where:
Base-Base interactions energy: -220.206
where: short stacking energy: -102.826
Base-Backbone interact. energy: -0.862
local terms energy: -123.654980
where:
bonds (distance) C4'-P energy: -23.528
bonds (distance) P-C4' energy: -35.276
flat angles C4'-P-C4' energy: -25.561
flat angles P-C4'-P energy: -15.252
tors. eta vs tors. theta energy: -24.039
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: 8
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -261.521976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.521976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.521976 (E_RNA)
where:
Base-Base interactions energy: -155.437
where: short stacking energy: -80.139
Base-Backbone interact. energy: -1.017
local terms energy: -105.067937
where:
bonds (distance) C4'-P energy: -31.384
bonds (distance) P-C4' energy: -26.420
flat angles C4'-P-C4' energy: -27.996
flat angles P-C4'-P energy: -12.696
tors. eta vs tors. theta energy: -6.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -177.571394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.571394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.571394 (E_RNA)
where:
Base-Base interactions energy: -70.253
where: short stacking energy: -67.887
Base-Backbone interact. energy: 3.178
local terms energy: -110.496162
where:
bonds (distance) C4'-P energy: -27.845
bonds (distance) P-C4' energy: -33.225
flat angles C4'-P-C4' energy: -28.348
flat angles P-C4'-P energy: -15.438
tors. eta vs tors. theta energy: -5.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -156.543882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.543882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.543882 (E_RNA)
where:
Base-Base interactions energy: -61.173
where: short stacking energy: -51.452
Base-Backbone interact. energy: -0.068
local terms energy: -95.303583
where:
bonds (distance) C4'-P energy: -25.517
bonds (distance) P-C4' energy: -29.192
flat angles C4'-P-C4' energy: -23.713
flat angles P-C4'-P energy: -14.117
tors. eta vs tors. theta energy: -2.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -542.369634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.369634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.369634 (E_RNA)
where:
Base-Base interactions energy: -367.368
where: short stacking energy: -170.604
Base-Backbone interact. energy: -0.759
local terms energy: -174.242165
where:
bonds (distance) C4'-P energy: -28.584
bonds (distance) P-C4' energy: -29.039
flat angles C4'-P-C4' energy: -33.822
flat angles P-C4'-P energy: -30.077
tors. eta vs tors. theta energy: -52.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -538.409685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.409685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.409685 (E_RNA)
where:
Base-Base interactions energy: -364.396
where: short stacking energy: -159.118
Base-Backbone interact. energy: -1.001
local terms energy: -173.012839
where:
bonds (distance) C4'-P energy: -30.486
bonds (distance) P-C4' energy: -31.903
flat angles C4'-P-C4' energy: -39.144
flat angles P-C4'-P energy: -25.409
tors. eta vs tors. theta energy: -46.071
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: 5
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -460.014052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.014052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.014052 (E_RNA)
where:
Base-Base interactions energy: -301.170
where: short stacking energy: -140.596
Base-Backbone interact. energy: -0.416
local terms energy: -158.427854
where:
bonds (distance) C4'-P energy: -31.902
bonds (distance) P-C4' energy: -32.416
flat angles C4'-P-C4' energy: -30.260
flat angles P-C4'-P energy: -24.070
tors. eta vs tors. theta energy: -39.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -446.739858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.739858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.739858 (E_RNA)
where:
Base-Base interactions energy: -286.790
where: short stacking energy: -136.011
Base-Backbone interact. energy: -0.904
local terms energy: -159.045758
where:
bonds (distance) C4'-P energy: -31.027
bonds (distance) P-C4' energy: -31.788
flat angles C4'-P-C4' energy: -39.134
flat angles P-C4'-P energy: -19.013
tors. eta vs tors. theta energy: -38.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -392.452598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.452598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.452598 (E_RNA)
where:
Base-Base interactions energy: -238.549
where: short stacking energy: -114.424
Base-Backbone interact. energy: -0.904
local terms energy: -152.999215
where:
bonds (distance) C4'-P energy: -30.334
bonds (distance) P-C4' energy: -33.571
flat angles C4'-P-C4' energy: -35.771
flat angles P-C4'-P energy: -21.436
tors. eta vs tors. theta energy: -31.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -394.287983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.287983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.287983 (E_RNA)
where:
Base-Base interactions energy: -259.323
where: short stacking energy: -119.403
Base-Backbone interact. energy: -1.642
local terms energy: -133.323151
where:
bonds (distance) C4'-P energy: -24.215
bonds (distance) P-C4' energy: -33.148
flat angles C4'-P-C4' energy: -27.427
flat angles P-C4'-P energy: -24.385
tors. eta vs tors. theta energy: -24.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -364.815120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.815120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.815120 (E_RNA)
where:
Base-Base interactions energy: -238.629
where: short stacking energy: -112.849
Base-Backbone interact. energy: -0.437
local terms energy: -125.749577
where:
bonds (distance) C4'-P energy: -27.920
bonds (distance) P-C4' energy: -27.697
flat angles C4'-P-C4' energy: -22.831
flat angles P-C4'-P energy: -24.026
tors. eta vs tors. theta energy: -23.275
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: 8
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -259.256982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.256982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.256982 (E_RNA)
where:
Base-Base interactions energy: -154.190
where: short stacking energy: -80.126
Base-Backbone interact. energy: 2.285
local terms energy: -107.352679
where:
bonds (distance) C4'-P energy: -33.083
bonds (distance) P-C4' energy: -28.551
flat angles C4'-P-C4' energy: -20.870
flat angles P-C4'-P energy: -12.008
tors. eta vs tors. theta energy: -12.840
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: 9
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -160.446761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.446761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.446761 (E_RNA)
where:
Base-Base interactions energy: -52.096
where: short stacking energy: -44.847
Base-Backbone interact. energy: 0.734
local terms energy: -109.085067
where:
bonds (distance) C4'-P energy: -30.926
bonds (distance) P-C4' energy: -30.546
flat angles C4'-P-C4' energy: -23.260
flat angles P-C4'-P energy: -20.149
tors. eta vs tors. theta energy: -4.204
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: 4
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -187.204097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.204097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.204097 (E_RNA)
where:
Base-Base interactions energy: -77.402
where: short stacking energy: -65.708
Base-Backbone interact. energy: -0.859
local terms energy: -108.943767
where:
bonds (distance) C4'-P energy: -28.123
bonds (distance) P-C4' energy: -31.115
flat angles C4'-P-C4' energy: -21.881
flat angles P-C4'-P energy: -18.771
tors. eta vs tors. theta energy: -9.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -539.656265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.656265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.656265 (E_RNA)
where:
Base-Base interactions energy: -366.627
where: short stacking energy: -166.368
Base-Backbone interact. energy: -0.982
local terms energy: -172.047930
where:
bonds (distance) C4'-P energy: -32.518
bonds (distance) P-C4' energy: -27.721
flat angles C4'-P-C4' energy: -35.800
flat angles P-C4'-P energy: -25.793
tors. eta vs tors. theta energy: -50.215
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: 2
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -538.853384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.853384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.853384 (E_RNA)
where:
Base-Base interactions energy: -385.012
where: short stacking energy: -150.342
Base-Backbone interact. energy: -1.264
local terms energy: -152.577036
where:
bonds (distance) C4'-P energy: -25.426
bonds (distance) P-C4' energy: -32.648
flat angles C4'-P-C4' energy: -34.226
flat angles P-C4'-P energy: -16.771
tors. eta vs tors. theta energy: -43.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -467.101307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.101307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.101307 (E_RNA)
where:
Base-Base interactions energy: -311.856
where: short stacking energy: -136.030
Base-Backbone interact. energy: -0.447
local terms energy: -154.798614
where:
bonds (distance) C4'-P energy: -29.103
bonds (distance) P-C4' energy: -34.691
flat angles C4'-P-C4' energy: -25.646
flat angles P-C4'-P energy: -24.065
tors. eta vs tors. theta energy: -41.294
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: 102
Temperature: 1.050000
Total energy: -440.117443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.117443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.117443 (E_RNA)
where:
Base-Base interactions energy: -289.659
where: short stacking energy: -134.347
Base-Backbone interact. energy: -0.473
local terms energy: -149.984716
where:
bonds (distance) C4'-P energy: -32.640
bonds (distance) P-C4' energy: -33.989
flat angles C4'-P-C4' energy: -27.210
flat angles P-C4'-P energy: -19.376
tors. eta vs tors. theta energy: -36.769
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: 5, replica: 1
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -407.531775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.531775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.531775 (E_RNA)
where:
Base-Base interactions energy: -263.047
where: short stacking energy: -139.145
Base-Backbone interact. energy: -0.731
local terms energy: -143.754293
where:
bonds (distance) C4'-P energy: -25.914
bonds (distance) P-C4' energy: -25.903
flat angles C4'-P-C4' energy: -27.023
flat angles P-C4'-P energy: -22.515
tors. eta vs tors. theta energy: -42.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -385.344908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.344908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.344908 (E_RNA)
where:
Base-Base interactions energy: -247.413
where: short stacking energy: -115.710
Base-Backbone interact. energy: -1.075
local terms energy: -136.856385
where:
bonds (distance) C4'-P energy: -22.452
bonds (distance) P-C4' energy: -32.866
flat angles C4'-P-C4' energy: -30.369
flat angles P-C4'-P energy: -26.125
tors. eta vs tors. theta energy: -25.045
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: 3
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -373.822230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.822230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.822230 (E_RNA)
where:
Base-Base interactions energy: -239.064
where: short stacking energy: -106.024
Base-Backbone interact. energy: -0.291
local terms energy: -134.467470
where:
bonds (distance) C4'-P energy: -30.591
bonds (distance) P-C4' energy: -30.497
flat angles C4'-P-C4' energy: -32.883
flat angles P-C4'-P energy: -17.562
tors. eta vs tors. theta energy: -22.935
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: 8
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -272.260485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.260485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.260485 (E_RNA)
where:
Base-Base interactions energy: -151.689
where: short stacking energy: -83.846
Base-Backbone interact. energy: -0.707
local terms energy: -119.864369
where:
bonds (distance) C4'-P energy: -28.956
bonds (distance) P-C4' energy: -27.754
flat angles C4'-P-C4' energy: -27.973
flat angles P-C4'-P energy: -17.137
tors. eta vs tors. theta energy: -18.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -165.410522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.410522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.410522 (E_RNA)
where:
Base-Base interactions energy: -60.270
where: short stacking energy: -47.654
Base-Backbone interact. energy: -0.983
local terms energy: -104.157416
where:
bonds (distance) C4'-P energy: -26.551
bonds (distance) P-C4' energy: -34.873
flat angles C4'-P-C4' energy: -28.563
flat angles P-C4'-P energy: -17.471
tors. eta vs tors. theta energy: 3.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -154.942647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.942647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.942647 (E_RNA)
where:
Base-Base interactions energy: -64.438
where: short stacking energy: -46.270
Base-Backbone interact. energy: 5.577
local terms energy: -96.081936
where:
bonds (distance) C4'-P energy: -28.616
bonds (distance) P-C4' energy: -31.276
flat angles C4'-P-C4' energy: -20.271
flat angles P-C4'-P energy: -14.432
tors. eta vs tors. theta energy: -1.487
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: 6
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -538.932394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.932394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.932394 (E_RNA)
where:
Base-Base interactions energy: -366.165
where: short stacking energy: -168.202
Base-Backbone interact. energy: -0.007
local terms energy: -172.761370
where:
bonds (distance) C4'-P energy: -30.943
bonds (distance) P-C4' energy: -30.378
flat angles C4'-P-C4' energy: -32.317
flat angles P-C4'-P energy: -27.508
tors. eta vs tors. theta energy: -51.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -535.472719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.472719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.472719 (E_RNA)
where:
Base-Base interactions energy: -373.846
where: short stacking energy: -151.338
Base-Backbone interact. energy: -0.493
local terms energy: -161.133407
where:
bonds (distance) C4'-P energy: -30.134
bonds (distance) P-C4' energy: -29.472
flat angles C4'-P-C4' energy: -35.919
flat angles P-C4'-P energy: -25.376
tors. eta vs tors. theta energy: -40.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -479.335224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.335224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.335224 (E_RNA)
where:
Base-Base interactions energy: -318.797
where: short stacking energy: -135.426
Base-Backbone interact. energy: -1.339
local terms energy: -159.199797
where:
bonds (distance) C4'-P energy: -31.135
bonds (distance) P-C4' energy: -31.492
flat angles C4'-P-C4' energy: -33.199
flat angles P-C4'-P energy: -23.419
tors. eta vs tors. theta energy: -39.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -419.631610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.631610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.631610 (E_RNA)
where:
Base-Base interactions energy: -276.131
where: short stacking energy: -142.564
Base-Backbone interact. energy: -0.098
local terms energy: -143.402403
where:
bonds (distance) C4'-P energy: -24.835
bonds (distance) P-C4' energy: -34.583
flat angles C4'-P-C4' energy: -23.709
flat angles P-C4'-P energy: -19.671
tors. eta vs tors. theta energy: -40.604
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: 7
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -426.436484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.436484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.436484 (E_RNA)
where:
Base-Base interactions energy: -275.166
where: short stacking energy: -125.804
Base-Backbone interact. energy: -1.893
local terms energy: -149.377643
where:
bonds (distance) C4'-P energy: -35.023
bonds (distance) P-C4' energy: -33.186
flat angles C4'-P-C4' energy: -34.866
flat angles P-C4'-P energy: -14.095
tors. eta vs tors. theta energy: -32.207
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: 10
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -399.342621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.342621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.342621 (E_RNA)
where:
Base-Base interactions energy: -264.877
where: short stacking energy: -125.138
Base-Backbone interact. energy: -0.406
local terms energy: -134.058933
where:
bonds (distance) C4'-P energy: -28.515
bonds (distance) P-C4' energy: -21.069
flat angles C4'-P-C4' energy: -32.256
flat angles P-C4'-P energy: -23.062
tors. eta vs tors. theta energy: -29.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -387.696022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.696022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.696022 (E_RNA)
where:
Base-Base interactions energy: -264.201
where: short stacking energy: -117.881
Base-Backbone interact. energy: -0.602
local terms energy: -122.893209
where:
bonds (distance) C4'-P energy: -27.391
bonds (distance) P-C4' energy: -25.222
flat angles C4'-P-C4' energy: -26.313
flat angles P-C4'-P energy: -23.470
tors. eta vs tors. theta energy: -20.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -246.797676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.797676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.797676 (E_RNA)
where:
Base-Base interactions energy: -146.286
where: short stacking energy: -78.250
Base-Backbone interact. energy: 0.035
local terms energy: -100.546543
where:
bonds (distance) C4'-P energy: -22.460
bonds (distance) P-C4' energy: -21.558
flat angles C4'-P-C4' energy: -27.309
flat angles P-C4'-P energy: -14.375
tors. eta vs tors. theta energy: -14.845
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: 4
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -173.890657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.890657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.890657 (E_RNA)
where:
Base-Base interactions energy: -79.017
where: short stacking energy: -59.464
Base-Backbone interact. energy: 4.455
local terms energy: -99.328893
where:
bonds (distance) C4'-P energy: -27.718
bonds (distance) P-C4' energy: -32.211
flat angles C4'-P-C4' energy: -29.355
flat angles P-C4'-P energy: -8.097
tors. eta vs tors. theta energy: -1.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -151.657077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.657077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.657077 (E_RNA)
where:
Base-Base interactions energy: -49.245
where: short stacking energy: -47.946
Base-Backbone interact. energy: 0.692
local terms energy: -103.103613
where:
bonds (distance) C4'-P energy: -25.047
bonds (distance) P-C4' energy: -23.061
flat angles C4'-P-C4' energy: -31.137
flat angles P-C4'-P energy: -22.046
tors. eta vs tors. theta energy: -1.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -551.686945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.686945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.686945 (E_RNA)
where:
Base-Base interactions energy: -371.858
where: short stacking energy: -152.371
Base-Backbone interact. energy: -1.931
local terms energy: -177.897336
where:
bonds (distance) C4'-P energy: -31.384
bonds (distance) P-C4' energy: -36.790
flat angles C4'-P-C4' energy: -37.343
flat angles P-C4'-P energy: -27.248
tors. eta vs tors. theta energy: -45.133
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: 104
Temperature: 0.950000
Total energy: -518.102044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.102044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.102044 (E_RNA)
where:
Base-Base interactions energy: -345.155
where: short stacking energy: -160.982
Base-Backbone interact. energy: -0.205
local terms energy: -172.742435
where:
bonds (distance) C4'-P energy: -33.968
bonds (distance) P-C4' energy: -33.315
flat angles C4'-P-C4' energy: -35.205
flat angles P-C4'-P energy: -23.634
tors. eta vs tors. theta energy: -46.620
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: 1
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -424.568384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.568384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.568384 (E_RNA)
where:
Base-Base interactions energy: -283.186
where: short stacking energy: -133.983
Base-Backbone interact. energy: 0.294
local terms energy: -141.676818
where:
bonds (distance) C4'-P energy: -27.450
bonds (distance) P-C4' energy: -29.919
flat angles C4'-P-C4' energy: -36.626
flat angles P-C4'-P energy: -17.403
tors. eta vs tors. theta energy: -30.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -459.362292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.362292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.362292 (E_RNA)
where:
Base-Base interactions energy: -309.151
where: short stacking energy: -122.144
Base-Backbone interact. energy: -1.039
local terms energy: -149.172074
where:
bonds (distance) C4'-P energy: -27.369
bonds (distance) P-C4' energy: -31.441
flat angles C4'-P-C4' energy: -31.988
flat angles P-C4'-P energy: -24.676
tors. eta vs tors. theta energy: -33.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -428.121004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.121004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.121004 (E_RNA)
where:
Base-Base interactions energy: -295.003
where: short stacking energy: -115.710
Base-Backbone interact. energy: -0.722
local terms energy: -132.396608
where:
bonds (distance) C4'-P energy: -26.575
bonds (distance) P-C4' energy: -30.603
flat angles C4'-P-C4' energy: -33.397
flat angles P-C4'-P energy: -17.329
tors. eta vs tors. theta energy: -24.492
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: 7
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -434.632031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.632031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.632031 (E_RNA)
where:
Base-Base interactions energy: -289.667
where: short stacking energy: -133.678
Base-Backbone interact. energy: -1.615
local terms energy: -143.350365
where:
bonds (distance) C4'-P energy: -26.988
bonds (distance) P-C4' energy: -25.519
flat angles C4'-P-C4' energy: -32.134
flat angles P-C4'-P energy: -18.059
tors. eta vs tors. theta energy: -40.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -376.513604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.513604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.513604 (E_RNA)
where:
Base-Base interactions energy: -255.919
where: short stacking energy: -111.998
Base-Backbone interact. energy: -1.307
local terms energy: -119.287785
where:
bonds (distance) C4'-P energy: -28.315
bonds (distance) P-C4' energy: -24.328
flat angles C4'-P-C4' energy: -18.750
flat angles P-C4'-P energy: -21.237
tors. eta vs tors. theta energy: -26.656
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: 8
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -229.736472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.736472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.736472 (E_RNA)
where:
Base-Base interactions energy: -125.743
where: short stacking energy: -63.824
Base-Backbone interact. energy: -0.187
local terms energy: -103.806719
where:
bonds (distance) C4'-P energy: -25.266
bonds (distance) P-C4' energy: -29.702
flat angles C4'-P-C4' energy: -22.973
flat angles P-C4'-P energy: -18.854
tors. eta vs tors. theta energy: -7.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -170.107892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.107892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.107892 (E_RNA)
where:
Base-Base interactions energy: -81.229
where: short stacking energy: -54.004
Base-Backbone interact. energy: 0.110
local terms energy: -88.988750
where:
bonds (distance) C4'-P energy: -21.586
bonds (distance) P-C4' energy: -27.524
flat angles C4'-P-C4' energy: -26.178
flat angles P-C4'-P energy: -15.471
tors. eta vs tors. theta energy: 1.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -161.671436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.671436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.671436 (E_RNA)
where:
Base-Base interactions energy: -53.228
where: short stacking energy: -50.265
Base-Backbone interact. energy: -0.817
local terms energy: -107.626691
where:
bonds (distance) C4'-P energy: -32.180
bonds (distance) P-C4' energy: -30.507
flat angles C4'-P-C4' energy: -27.980
flat angles P-C4'-P energy: -12.900
tors. eta vs tors. theta energy: -4.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -541.698828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.698828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.698828 (E_RNA)
where:
Base-Base interactions energy: -379.979
where: short stacking energy: -159.737
Base-Backbone interact. energy: -1.987
local terms energy: -159.732931
where:
bonds (distance) C4'-P energy: -27.972
bonds (distance) P-C4' energy: -32.326
flat angles C4'-P-C4' energy: -34.981
flat angles P-C4'-P energy: -24.243
tors. eta vs tors. theta energy: -40.210
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: 6
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -535.746779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.746779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.746779 (E_RNA)
where:
Base-Base interactions energy: -354.720
where: short stacking energy: -158.174
Base-Backbone interact. energy: -0.048
local terms energy: -180.978993
where:
bonds (distance) C4'-P energy: -33.949
bonds (distance) P-C4' energy: -34.078
flat angles C4'-P-C4' energy: -35.203
flat angles P-C4'-P energy: -26.190
tors. eta vs tors. theta energy: -51.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -426.621579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.621579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.621579 (E_RNA)
where:
Base-Base interactions energy: -279.725
where: short stacking energy: -136.790
Base-Backbone interact. energy: -0.219
local terms energy: -146.677451
where:
bonds (distance) C4'-P energy: -20.592
bonds (distance) P-C4' energy: -34.795
flat angles C4'-P-C4' energy: -36.860
flat angles P-C4'-P energy: -17.647
tors. eta vs tors. theta energy: -36.784
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: 5
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -451.314336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.314336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.314336 (E_RNA)
where:
Base-Base interactions energy: -316.325
where: short stacking energy: -126.166
Base-Backbone interact. energy: -0.551
local terms energy: -134.438299
where:
bonds (distance) C4'-P energy: -27.221
bonds (distance) P-C4' energy: -23.022
flat angles C4'-P-C4' energy: -30.796
flat angles P-C4'-P energy: -19.070
tors. eta vs tors. theta energy: -34.329
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: 10
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -428.402490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.402490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.402490 (E_RNA)
where:
Base-Base interactions energy: -299.840
where: short stacking energy: -118.586
Base-Backbone interact. energy: -0.108
local terms energy: -128.454184
where:
bonds (distance) C4'-P energy: -27.095
bonds (distance) P-C4' energy: -26.345
flat angles C4'-P-C4' energy: -27.563
flat angles P-C4'-P energy: -21.258
tors. eta vs tors. theta energy: -26.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -401.378862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.378862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.378862 (E_RNA)
where:
Base-Base interactions energy: -270.483
where: short stacking energy: -111.149
Base-Backbone interact. energy: -1.110
local terms energy: -129.785848
where:
bonds (distance) C4'-P energy: -25.920
bonds (distance) P-C4' energy: -26.677
flat angles C4'-P-C4' energy: -20.144
flat angles P-C4'-P energy: -29.783
tors. eta vs tors. theta energy: -27.261
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: 105
Temperature: 1.200000
Total energy: -398.903699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.903699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.903699 (E_RNA)
where:
Base-Base interactions energy: -276.375
where: short stacking energy: -122.643
Base-Backbone interact. energy: -1.539
local terms energy: -120.989676
where:
bonds (distance) C4'-P energy: -22.408
bonds (distance) P-C4' energy: -21.788
flat angles C4'-P-C4' energy: -32.672
flat angles P-C4'-P energy: -15.139
tors. eta vs tors. theta energy: -28.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -172.558545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.558545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.558545 (E_RNA)
where:
Base-Base interactions energy: -73.116
where: short stacking energy: -68.146
Base-Backbone interact. energy: -0.127
local terms energy: -99.315494
where:
bonds (distance) C4'-P energy: -25.153
bonds (distance) P-C4' energy: -21.092
flat angles C4'-P-C4' energy: -24.867
flat angles P-C4'-P energy: -16.568
tors. eta vs tors. theta energy: -11.636
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: 8
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -227.876563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.876563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.876563 (E_RNA)
where:
Base-Base interactions energy: -117.692
where: short stacking energy: -66.889
Base-Backbone interact. energy: 1.372
local terms energy: -111.556521
where:
bonds (distance) C4'-P energy: -32.863
bonds (distance) P-C4' energy: -22.120
flat angles C4'-P-C4' energy: -25.444
flat angles P-C4'-P energy: -22.255
tors. eta vs tors. theta energy: -8.876
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: 10, replica: 4
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -143.411825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.411825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.411825 (E_RNA)
where:
Base-Base interactions energy: -40.078
where: short stacking energy: -29.534
Base-Backbone interact. energy: 0.625
local terms energy: -103.959377
where:
bonds (distance) C4'-P energy: -32.304
bonds (distance) P-C4' energy: -32.502
flat angles C4'-P-C4' energy: -19.674
flat angles P-C4'-P energy: -23.293
tors. eta vs tors. theta energy: 3.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -555.735969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.735969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.735969 (E_RNA)
where:
Base-Base interactions energy: -387.363
where: short stacking energy: -164.970
Base-Backbone interact. energy: -0.383
local terms energy: -167.990067
where:
bonds (distance) C4'-P energy: -27.486
bonds (distance) P-C4' energy: -34.269
flat angles C4'-P-C4' energy: -32.933
flat angles P-C4'-P energy: -29.498
tors. eta vs tors. theta energy: -43.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -529.193441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.193441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.193441 (E_RNA)
where:
Base-Base interactions energy: -358.393
where: short stacking energy: -167.020
Base-Backbone interact. energy: -0.001
local terms energy: -170.799029
where:
bonds (distance) C4'-P energy: -34.374
bonds (distance) P-C4' energy: -34.978
flat angles C4'-P-C4' energy: -28.316
flat angles P-C4'-P energy: -24.671
tors. eta vs tors. theta energy: -48.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -471.184128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.184128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.184128 (E_RNA)
where:
Base-Base interactions energy: -320.709
where: short stacking energy: -138.394
Base-Backbone interact. energy: -0.366
local terms energy: -150.109618
where:
bonds (distance) C4'-P energy: -27.399
bonds (distance) P-C4' energy: -27.607
flat angles C4'-P-C4' energy: -34.435
flat angles P-C4'-P energy: -21.608
tors. eta vs tors. theta energy: -39.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -430.734294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.734294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.734294 (E_RNA)
where:
Base-Base interactions energy: -280.406
where: short stacking energy: -133.106
Base-Backbone interact. energy: -1.642
local terms energy: -148.686481
where:
bonds (distance) C4'-P energy: -32.860
bonds (distance) P-C4' energy: -25.600
flat angles C4'-P-C4' energy: -22.552
flat angles P-C4'-P energy: -24.866
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: 5, replica: 10
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -445.009496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.009496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.009496 (E_RNA)
where:
Base-Base interactions energy: -282.444
where: short stacking energy: -121.125
Base-Backbone interact. energy: -2.022
local terms energy: -160.543377
where:
bonds (distance) C4'-P energy: -29.760
bonds (distance) P-C4' energy: -31.333
flat angles C4'-P-C4' energy: -35.407
flat angles P-C4'-P energy: -26.461
tors. eta vs tors. theta energy: -37.582
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: 3
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -415.647136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.647136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.647136 (E_RNA)
where:
Base-Base interactions energy: -284.626
where: short stacking energy: -131.990
Base-Backbone interact. energy: -0.550
local terms energy: -130.470421
where:
bonds (distance) C4'-P energy: -30.061
bonds (distance) P-C4' energy: -21.199
flat angles C4'-P-C4' energy: -33.950
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -35.418
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: 7, replica: 7
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -400.272673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.272673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.272673 (E_RNA)
where:
Base-Base interactions energy: -263.068
where: short stacking energy: -124.384
Base-Backbone interact. energy: -0.791
local terms energy: -136.413642
where:
bonds (distance) C4'-P energy: -26.294
bonds (distance) P-C4' energy: -23.653
flat angles C4'-P-C4' energy: -34.838
flat angles P-C4'-P energy: -15.516
tors. eta vs tors. theta energy: -36.112
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: 9
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -192.005420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.005420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.005420 (E_RNA)
where:
Base-Base interactions energy: -95.895
where: short stacking energy: -59.744
Base-Backbone interact. energy: -1.312
local terms energy: -94.799296
where:
bonds (distance) C4'-P energy: -26.820
bonds (distance) P-C4' energy: -28.704
flat angles C4'-P-C4' energy: -21.539
flat angles P-C4'-P energy: -15.221
tors. eta vs tors. theta energy: -2.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -248.883930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.883930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.883930 (E_RNA)
where:
Base-Base interactions energy: -129.584
where: short stacking energy: -87.358
Base-Backbone interact. energy: -0.409
local terms energy: -118.889995
where:
bonds (distance) C4'-P energy: -24.511
bonds (distance) P-C4' energy: -32.413
flat angles C4'-P-C4' energy: -27.684
flat angles P-C4'-P energy: -22.079
tors. eta vs tors. theta energy: -12.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -181.297987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.297987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.297987 (E_RNA)
where:
Base-Base interactions energy: -90.551
where: short stacking energy: -42.610
Base-Backbone interact. energy: -1.644
local terms energy: -89.103175
where:
bonds (distance) C4'-P energy: -24.006
bonds (distance) P-C4' energy: -25.118
flat angles C4'-P-C4' energy: -27.693
flat angles P-C4'-P energy: -13.522
tors. eta vs tors. theta energy: 1.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -548.032084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.032084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.032084 (E_RNA)
where:
Base-Base interactions energy: -390.080
where: short stacking energy: -163.518
Base-Backbone interact. energy: -0.759
local terms energy: -157.193336
where:
bonds (distance) C4'-P energy: -31.920
bonds (distance) P-C4' energy: -30.269
flat angles C4'-P-C4' energy: -30.223
flat angles P-C4'-P energy: -21.895
tors. eta vs tors. theta energy: -42.886
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: 5
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -482.460284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.460284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.460284 (E_RNA)
where:
Base-Base interactions energy: -334.200
where: short stacking energy: -124.600
Base-Backbone interact. energy: -1.108
local terms energy: -147.151908
where:
bonds (distance) C4'-P energy: -32.628
bonds (distance) P-C4' energy: -31.704
flat angles C4'-P-C4' energy: -30.896
flat angles P-C4'-P energy: -19.995
tors. eta vs tors. theta energy: -31.929
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: 6
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -499.626847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.626847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.626847 (E_RNA)
where:
Base-Base interactions energy: -337.750
where: short stacking energy: -160.267
Base-Backbone interact. energy: -0.073
local terms energy: -161.803290
where:
bonds (distance) C4'-P energy: -27.164
bonds (distance) P-C4' energy: -32.403
flat angles C4'-P-C4' energy: -31.139
flat angles P-C4'-P energy: -22.241
tors. eta vs tors. theta energy: -48.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -449.189520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.189520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.189520 (E_RNA)
where:
Base-Base interactions energy: -300.042
where: short stacking energy: -129.771
Base-Backbone interact. energy: -2.375
local terms energy: -146.772623
where:
bonds (distance) C4'-P energy: -25.006
bonds (distance) P-C4' energy: -27.568
flat angles C4'-P-C4' energy: -31.990
flat angles P-C4'-P energy: -25.452
tors. eta vs tors. theta energy: -36.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -438.809754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.809754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.809754 (E_RNA)
where:
Base-Base interactions energy: -289.285
where: short stacking energy: -131.386
Base-Backbone interact. energy: 0.807
local terms energy: -150.331970
where:
bonds (distance) C4'-P energy: -30.559
bonds (distance) P-C4' energy: -36.984
flat angles C4'-P-C4' energy: -26.675
flat angles P-C4'-P energy: -23.789
tors. eta vs tors. theta energy: -32.325
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: 7
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -414.984625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.984625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.984625 (E_RNA)
where:
Base-Base interactions energy: -283.412
where: short stacking energy: -129.752
Base-Backbone interact. energy: -1.917
local terms energy: -129.655242
where:
bonds (distance) C4'-P energy: -28.242
bonds (distance) P-C4' energy: -20.279
flat angles C4'-P-C4' energy: -29.146
flat angles P-C4'-P energy: -21.840
tors. eta vs tors. theta energy: -30.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -364.958883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.958883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.958883 (E_RNA)
where:
Base-Base interactions energy: -249.983
where: short stacking energy: -104.755
Base-Backbone interact. energy: -0.503
local terms energy: -114.472752
where:
bonds (distance) C4'-P energy: -24.027
bonds (distance) P-C4' energy: -26.435
flat angles C4'-P-C4' energy: -27.823
flat angles P-C4'-P energy: -20.249
tors. eta vs tors. theta energy: -15.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -245.101408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.101408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.101408 (E_RNA)
where:
Base-Base interactions energy: -129.137
where: short stacking energy: -63.124
Base-Backbone interact. energy: -2.114
local terms energy: -113.850944
where:
bonds (distance) C4'-P energy: -27.915
bonds (distance) P-C4' energy: -26.960
flat angles C4'-P-C4' energy: -26.646
flat angles P-C4'-P energy: -23.081
tors. eta vs tors. theta energy: -9.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -153.851178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.851178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.851178 (E_RNA)
where:
Base-Base interactions energy: -58.082
where: short stacking energy: -33.266
Base-Backbone interact. energy: -0.323
local terms energy: -95.447025
where:
bonds (distance) C4'-P energy: -33.060
bonds (distance) P-C4' energy: -23.324
flat angles C4'-P-C4' energy: -21.116
flat angles P-C4'-P energy: -21.830
tors. eta vs tors. theta energy: 3.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -178.009341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.009341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.009341 (E_RNA)
where:
Base-Base interactions energy: -77.400
where: short stacking energy: -68.464
Base-Backbone interact. energy: -0.106
local terms energy: -100.503844
where:
bonds (distance) C4'-P energy: -26.905
bonds (distance) P-C4' energy: -34.029
flat angles C4'-P-C4' energy: -21.411
flat angles P-C4'-P energy: -17.425
tors. eta vs tors. theta energy: -0.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -550.499409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.499409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.499409 (E_RNA)
where:
Base-Base interactions energy: -379.790
where: short stacking energy: -168.850
Base-Backbone interact. energy: -1.133
local terms energy: -169.576218
where:
bonds (distance) C4'-P energy: -30.826
bonds (distance) P-C4' energy: -35.847
flat angles C4'-P-C4' energy: -37.037
flat angles P-C4'-P energy: -24.930
tors. eta vs tors. theta energy: -40.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -488.627643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.627643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.627643 (E_RNA)
where:
Base-Base interactions energy: -340.882
where: short stacking energy: -142.554
Base-Backbone interact. energy: -1.949
local terms energy: -145.795838
where:
bonds (distance) C4'-P energy: -25.242
bonds (distance) P-C4' energy: -28.307
flat angles C4'-P-C4' energy: -30.523
flat angles P-C4'-P energy: -25.466
tors. eta vs tors. theta energy: -36.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -515.598119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.598119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.598119 (E_RNA)
where:
Base-Base interactions energy: -349.271
where: short stacking energy: -153.046
Base-Backbone interact. energy: -0.371
local terms energy: -165.955990
where:
bonds (distance) C4'-P energy: -31.208
bonds (distance) P-C4' energy: -34.400
flat angles C4'-P-C4' energy: -33.677
flat angles P-C4'-P energy: -20.776
tors. eta vs tors. theta energy: -45.895
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: 4, replica: 10
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -458.402742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.402742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.402742 (E_RNA)
where:
Base-Base interactions energy: -314.326
where: short stacking energy: -145.475
Base-Backbone interact. energy: -0.259
local terms energy: -143.817634
where:
bonds (distance) C4'-P energy: -33.893
bonds (distance) P-C4' energy: -24.538
flat angles C4'-P-C4' energy: -32.325
flat angles P-C4'-P energy: -16.656
tors. eta vs tors. theta energy: -36.406
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: 7
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -447.214296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.214296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.214296 (E_RNA)
where:
Base-Base interactions energy: -285.833
where: short stacking energy: -135.340
Base-Backbone interact. energy: -1.001
local terms energy: -160.380003
where:
bonds (distance) C4'-P energy: -28.695
bonds (distance) P-C4' energy: -32.187
flat angles C4'-P-C4' energy: -32.611
flat angles P-C4'-P energy: -24.614
tors. eta vs tors. theta energy: -42.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -439.094364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.094364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.094364 (E_RNA)
where:
Base-Base interactions energy: -299.254
where: short stacking energy: -122.577
Base-Backbone interact. energy: -0.254
local terms energy: -139.586433
where:
bonds (distance) C4'-P energy: -28.359
bonds (distance) P-C4' energy: -28.938
flat angles C4'-P-C4' energy: -24.845
flat angles P-C4'-P energy: -23.683
tors. eta vs tors. theta energy: -33.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -330.597586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.597586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.597586 (E_RNA)
where:
Base-Base interactions energy: -215.265
where: short stacking energy: -97.957
Base-Backbone interact. energy: -0.737
local terms energy: -114.595917
where:
bonds (distance) C4'-P energy: -30.328
bonds (distance) P-C4' energy: -31.699
flat angles C4'-P-C4' energy: -23.265
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -17.182
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: 8
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -247.630105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.630105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.630105 (E_RNA)
where:
Base-Base interactions energy: -154.989
where: short stacking energy: -75.662
Base-Backbone interact. energy: -0.144
local terms energy: -92.496808
where:
bonds (distance) C4'-P energy: -18.102
bonds (distance) P-C4' energy: -29.271
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -19.563
tors. eta vs tors. theta energy: -10.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -168.236301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.236301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.236301 (E_RNA)
where:
Base-Base interactions energy: -65.730
where: short stacking energy: -53.806
Base-Backbone interact. energy: 1.004
local terms energy: -103.510047
where:
bonds (distance) C4'-P energy: -27.906
bonds (distance) P-C4' energy: -31.985
flat angles C4'-P-C4' energy: -31.127
flat angles P-C4'-P energy: -12.952
tors. eta vs tors. theta energy: 0.460
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: 9
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -169.212600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.212600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.212600 (E_RNA)
where:
Base-Base interactions energy: -81.919
where: short stacking energy: -44.881
Base-Backbone interact. energy: 1.694
local terms energy: -88.987252
where:
bonds (distance) C4'-P energy: -25.269
bonds (distance) P-C4' energy: -30.715
flat angles C4'-P-C4' energy: -23.269
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: 3.279
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: 1, replica: 2
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -550.080056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.080056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.080056 (E_RNA)
where:
Base-Base interactions energy: -388.039
where: short stacking energy: -164.806
Base-Backbone interact. energy: 0.248
local terms energy: -162.288941
where:
bonds (distance) C4'-P energy: -27.440
bonds (distance) P-C4' energy: -32.064
flat angles C4'-P-C4' energy: -37.701
flat angles P-C4'-P energy: -22.474
tors. eta vs tors. theta energy: -42.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -520.955759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.955759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.955759 (E_RNA)
where:
Base-Base interactions energy: -344.929
where: short stacking energy: -164.117
Base-Backbone interact. energy: -0.009
local terms energy: -176.017364
where:
bonds (distance) C4'-P energy: -27.816
bonds (distance) P-C4' energy: -30.908
flat angles C4'-P-C4' energy: -36.754
flat angles P-C4'-P energy: -27.595
tors. eta vs tors. theta energy: -52.944
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: 5
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -481.544590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.544590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.544590 (E_RNA)
where:
Base-Base interactions energy: -319.885
where: short stacking energy: -140.229
Base-Backbone interact. energy: -1.244
local terms energy: -160.414626
where:
bonds (distance) C4'-P energy: -32.608
bonds (distance) P-C4' energy: -30.689
flat angles C4'-P-C4' energy: -34.038
flat angles P-C4'-P energy: -22.760
tors. eta vs tors. theta energy: -40.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -478.781378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.781378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.781378 (E_RNA)
where:
Base-Base interactions energy: -321.683
where: short stacking energy: -135.941
Base-Backbone interact. energy: -0.644
local terms energy: -156.454289
where:
bonds (distance) C4'-P energy: -27.523
bonds (distance) P-C4' energy: -34.589
flat angles C4'-P-C4' energy: -33.658
flat angles P-C4'-P energy: -20.249
tors. eta vs tors. theta energy: -40.436
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: 7
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -431.550491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.550491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.550491 (E_RNA)
where:
Base-Base interactions energy: -280.393
where: short stacking energy: -142.808
Base-Backbone interact. energy: -0.264
local terms energy: -150.893977
where:
bonds (distance) C4'-P energy: -30.355
bonds (distance) P-C4' energy: -24.379
flat angles C4'-P-C4' energy: -29.112
flat angles P-C4'-P energy: -21.351
tors. eta vs tors. theta energy: -45.697
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: 6, replica: 1
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -419.385407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.385407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.385407 (E_RNA)
where:
Base-Base interactions energy: -259.732
where: short stacking energy: -115.616
Base-Backbone interact. energy: -0.905
local terms energy: -158.748795
where:
bonds (distance) C4'-P energy: -31.625
bonds (distance) P-C4' energy: -38.184
flat angles C4'-P-C4' energy: -35.721
flat angles P-C4'-P energy: -18.531
tors. eta vs tors. theta energy: -34.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -358.319115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.319115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.319115 (E_RNA)
where:
Base-Base interactions energy: -225.430
where: short stacking energy: -113.457
Base-Backbone interact. energy: -1.238
local terms energy: -131.651342
where:
bonds (distance) C4'-P energy: -32.869
bonds (distance) P-C4' energy: -27.450
flat angles C4'-P-C4' energy: -29.772
flat angles P-C4'-P energy: -12.546
tors. eta vs tors. theta energy: -29.013
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: 8
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -261.552030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.552030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.552030 (E_RNA)
where:
Base-Base interactions energy: -156.311
where: short stacking energy: -77.784
Base-Backbone interact. energy: -0.498
local terms energy: -104.743328
where:
bonds (distance) C4'-P energy: -24.268
bonds (distance) P-C4' energy: -28.986
flat angles C4'-P-C4' energy: -30.486
flat angles P-C4'-P energy: -22.117
tors. eta vs tors. theta energy: 1.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -161.578661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.578661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.578661 (E_RNA)
where:
Base-Base interactions energy: -61.354
where: short stacking energy: -52.388
Base-Backbone interact. energy: -0.545
local terms energy: -99.679594
where:
bonds (distance) C4'-P energy: -28.829
bonds (distance) P-C4' energy: -27.038
flat angles C4'-P-C4' energy: -25.906
flat angles P-C4'-P energy: -17.907
tors. eta vs tors. theta energy: 0.000
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: 109
Temperature: 1.350000
Total energy: -202.071950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.071950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.071950 (E_RNA)
where:
Base-Base interactions energy: -97.960
where: short stacking energy: -50.599
Base-Backbone interact. energy: -0.135
local terms energy: -103.976499
where:
bonds (distance) C4'-P energy: -36.928
bonds (distance) P-C4' energy: -22.542
flat angles C4'-P-C4' energy: -23.395
flat angles P-C4'-P energy: -17.330
tors. eta vs tors. theta energy: -3.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -547.373005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.373005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.373005 (E_RNA)
where:
Base-Base interactions energy: -379.405
where: short stacking energy: -165.666
Base-Backbone interact. energy: -0.715
local terms energy: -167.253724
where:
bonds (distance) C4'-P energy: -22.768
bonds (distance) P-C4' energy: -32.042
flat angles C4'-P-C4' energy: -35.660
flat angles P-C4'-P energy: -30.313
tors. eta vs tors. theta energy: -46.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -517.259539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.259539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.259539 (E_RNA)
where:
Base-Base interactions energy: -349.853
where: short stacking energy: -152.126
Base-Backbone interact. energy: -0.535
local terms energy: -166.871845
where:
bonds (distance) C4'-P energy: -34.764
bonds (distance) P-C4' energy: -31.287
flat angles C4'-P-C4' energy: -34.439
flat angles P-C4'-P energy: -24.422
tors. eta vs tors. theta energy: -41.959
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: 110
Temperature: 1.000000
Total energy: -476.320010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.320010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.320010 (E_RNA)
where:
Base-Base interactions energy: -329.881
where: short stacking energy: -147.971
Base-Backbone interact. energy: -0.329
local terms energy: -146.109826
where:
bonds (distance) C4'-P energy: -29.057
bonds (distance) P-C4' energy: -23.980
flat angles C4'-P-C4' energy: -27.365
flat angles P-C4'-P energy: -22.332
tors. eta vs tors. theta energy: -43.375
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: 5
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -475.638216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.638216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.638216 (E_RNA)
where:
Base-Base interactions energy: -330.064
where: short stacking energy: -140.249
Base-Backbone interact. energy: -0.295
local terms energy: -145.279691
where:
bonds (distance) C4'-P energy: -26.799
bonds (distance) P-C4' energy: -34.366
flat angles C4'-P-C4' energy: -28.285
flat angles P-C4'-P energy: -20.456
tors. eta vs tors. theta energy: -35.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -426.224719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.224719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.224719 (E_RNA)
where:
Base-Base interactions energy: -291.535
where: short stacking energy: -125.555
Base-Backbone interact. energy: -0.752
local terms energy: -133.937485
where:
bonds (distance) C4'-P energy: -22.290
bonds (distance) P-C4' energy: -31.302
flat angles C4'-P-C4' energy: -31.200
flat angles P-C4'-P energy: -14.851
tors. eta vs tors. theta energy: -34.293
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: 7
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -431.782395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.782395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.782395 (E_RNA)
where:
Base-Base interactions energy: -283.554
where: short stacking energy: -126.832
Base-Backbone interact. energy: -0.274
local terms energy: -147.954246
where:
bonds (distance) C4'-P energy: -28.864
bonds (distance) P-C4' energy: -29.304
flat angles C4'-P-C4' energy: -35.697
flat angles P-C4'-P energy: -21.330
tors. eta vs tors. theta energy: -32.759
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: 7, replica: 3
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -345.917193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.917193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.917193 (E_RNA)
where:
Base-Base interactions energy: -213.587
where: short stacking energy: -104.844
Base-Backbone interact. energy: -0.530
local terms energy: -131.799358
where:
bonds (distance) C4'-P energy: -28.795
bonds (distance) P-C4' energy: -29.965
flat angles C4'-P-C4' energy: -32.866
flat angles P-C4'-P energy: -15.712
tors. eta vs tors. theta energy: -24.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -273.030796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.030796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.030796 (E_RNA)
where:
Base-Base interactions energy: -159.643
where: short stacking energy: -68.719
Base-Backbone interact. energy: -2.852
local terms energy: -110.535204
where:
bonds (distance) C4'-P energy: -23.793
bonds (distance) P-C4' energy: -35.423
flat angles C4'-P-C4' energy: -26.971
flat angles P-C4'-P energy: -18.930
tors. eta vs tors. theta energy: -5.419
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: 9, replica: 9
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -227.373159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.373159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.373159 (E_RNA)
where:
Base-Base interactions energy: -122.962
where: short stacking energy: -88.444
Base-Backbone interact. energy: -0.525
local terms energy: -103.885867
where:
bonds (distance) C4'-P energy: -24.272
bonds (distance) P-C4' energy: -29.290
flat angles C4'-P-C4' energy: -26.741
flat angles P-C4'-P energy: -18.632
tors. eta vs tors. theta energy: -4.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -158.662500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.662500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.662500 (E_RNA)
where:
Base-Base interactions energy: -59.051
where: short stacking energy: -37.704
Base-Backbone interact. energy: -0.785
local terms energy: -98.826241
where:
bonds (distance) C4'-P energy: -23.887
bonds (distance) P-C4' energy: -32.722
flat angles C4'-P-C4' energy: -22.667
flat angles P-C4'-P energy: -20.331
tors. eta vs tors. theta energy: 0.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -554.359649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.359649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.359649 (E_RNA)
where:
Base-Base interactions energy: -387.989
where: short stacking energy: -170.227
Base-Backbone interact. energy: -1.902
local terms energy: -164.468826
where:
bonds (distance) C4'-P energy: -31.406
bonds (distance) P-C4' energy: -29.456
flat angles C4'-P-C4' energy: -35.865
flat angles P-C4'-P energy: -20.925
tors. eta vs tors. theta energy: -46.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -524.558647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.558647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.558647 (E_RNA)
where:
Base-Base interactions energy: -354.413
where: short stacking energy: -157.132
Base-Backbone interact. energy: -1.115
local terms energy: -169.030383
where:
bonds (distance) C4'-P energy: -33.861
bonds (distance) P-C4' energy: -29.747
flat angles C4'-P-C4' energy: -35.930
flat angles P-C4'-P energy: -21.044
tors. eta vs tors. theta energy: -48.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -510.500635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.500635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.500635 (E_RNA)
where:
Base-Base interactions energy: -339.395
where: short stacking energy: -150.415
Base-Backbone interact. energy: -1.611
local terms energy: -169.494948
where:
bonds (distance) C4'-P energy: -35.832
bonds (distance) P-C4' energy: -33.054
flat angles C4'-P-C4' energy: -34.062
flat angles P-C4'-P energy: -26.852
tors. eta vs tors. theta energy: -39.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -475.068422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.068422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.068422 (E_RNA)
where:
Base-Base interactions energy: -335.260
where: short stacking energy: -136.206
Base-Backbone interact. energy: 1.956
local terms energy: -141.763874
where:
bonds (distance) C4'-P energy: -23.799
bonds (distance) P-C4' energy: -31.911
flat angles C4'-P-C4' energy: -29.531
flat angles P-C4'-P energy: -20.367
tors. eta vs tors. theta energy: -36.157
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: 1
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -439.645180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.645180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.645180 (E_RNA)
where:
Base-Base interactions energy: -284.661
where: short stacking energy: -134.604
Base-Backbone interact. energy: -2.130
local terms energy: -152.853715
where:
bonds (distance) C4'-P energy: -33.841
bonds (distance) P-C4' energy: -24.945
flat angles C4'-P-C4' energy: -29.870
flat angles P-C4'-P energy: -22.895
tors. eta vs tors. theta energy: -41.303
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: 7
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -424.237431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.237431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.237431 (E_RNA)
where:
Base-Base interactions energy: -278.096
where: short stacking energy: -136.440
Base-Backbone interact. energy: -0.128
local terms energy: -146.013456
where:
bonds (distance) C4'-P energy: -28.123
bonds (distance) P-C4' energy: -29.258
flat angles C4'-P-C4' energy: -32.771
flat angles P-C4'-P energy: -20.479
tors. eta vs tors. theta energy: -35.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -375.245778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.245778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.245778 (E_RNA)
where:
Base-Base interactions energy: -250.269
where: short stacking energy: -123.941
Base-Backbone interact. energy: -0.402
local terms energy: -124.574191
where:
bonds (distance) C4'-P energy: -26.974
bonds (distance) P-C4' energy: -18.056
flat angles C4'-P-C4' energy: -28.263
flat angles P-C4'-P energy: -20.368
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: 8, replica: 8
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -246.853753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.853753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.853753 (E_RNA)
where:
Base-Base interactions energy: -131.593
where: short stacking energy: -81.081
Base-Backbone interact. energy: -0.338
local terms energy: -114.922540
where:
bonds (distance) C4'-P energy: -29.851
bonds (distance) P-C4' energy: -26.275
flat angles C4'-P-C4' energy: -25.906
flat angles P-C4'-P energy: -22.223
tors. eta vs tors. theta energy: -10.668
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: 9
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -236.024075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.024075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.024075 (E_RNA)
where:
Base-Base interactions energy: -126.658
where: short stacking energy: -75.907
Base-Backbone interact. energy: -0.138
local terms energy: -109.227945
where:
bonds (distance) C4'-P energy: -26.290
bonds (distance) P-C4' energy: -30.570
flat angles C4'-P-C4' energy: -28.754
flat angles P-C4'-P energy: -11.907
tors. eta vs tors. theta energy: -11.707
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: 4
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -150.382216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.382216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.382216 (E_RNA)
where:
Base-Base interactions energy: -54.100
where: short stacking energy: -52.914
Base-Backbone interact. energy: 2.827
local terms energy: -99.109077
where:
bonds (distance) C4'-P energy: -28.442
bonds (distance) P-C4' energy: -21.961
flat angles C4'-P-C4' energy: -23.377
flat angles P-C4'-P energy: -15.852
tors. eta vs tors. theta energy: -9.476
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: 1, replica: 2
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -544.891428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.891428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.891428 (E_RNA)
where:
Base-Base interactions energy: -377.638
where: short stacking energy: -167.235
Base-Backbone interact. energy: -1.327
local terms energy: -165.926011
where:
bonds (distance) C4'-P energy: -29.262
bonds (distance) P-C4' energy: -32.397
flat angles C4'-P-C4' energy: -32.097
flat angles P-C4'-P energy: -28.896
tors. eta vs tors. theta energy: -43.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -525.596109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.596109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.596109 (E_RNA)
where:
Base-Base interactions energy: -352.965
where: short stacking energy: -165.387
Base-Backbone interact. energy: -0.743
local terms energy: -171.887935
where:
bonds (distance) C4'-P energy: -35.119
bonds (distance) P-C4' energy: -32.129
flat angles C4'-P-C4' energy: -34.591
flat angles P-C4'-P energy: -21.019
tors. eta vs tors. theta energy: -49.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -482.965416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.965416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.965416 (E_RNA)
where:
Base-Base interactions energy: -312.280
where: short stacking energy: -131.434
Base-Backbone interact. energy: -0.733
local terms energy: -169.951581
where:
bonds (distance) C4'-P energy: -34.610
bonds (distance) P-C4' energy: -34.528
flat angles C4'-P-C4' energy: -38.440
flat angles P-C4'-P energy: -25.644
tors. eta vs tors. theta energy: -36.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -497.034978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.034978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.034978 (E_RNA)
where:
Base-Base interactions energy: -342.031
where: short stacking energy: -163.791
Base-Backbone interact. energy: -0.152
local terms energy: -154.852816
where:
bonds (distance) C4'-P energy: -28.380
bonds (distance) P-C4' energy: -30.428
flat angles C4'-P-C4' energy: -28.415
flat angles P-C4'-P energy: -20.244
tors. eta vs tors. theta energy: -47.387
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: 7
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -435.453049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.453049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.453049 (E_RNA)
where:
Base-Base interactions energy: -286.095
where: short stacking energy: -135.806
Base-Backbone interact. energy: -0.690
local terms energy: -148.667618
where:
bonds (distance) C4'-P energy: -27.940
bonds (distance) P-C4' energy: -26.753
flat angles C4'-P-C4' energy: -36.902
flat angles P-C4'-P energy: -19.075
tors. eta vs tors. theta energy: -37.998
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: 1
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -411.437438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.437438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.437438 (E_RNA)
where:
Base-Base interactions energy: -273.154
where: short stacking energy: -116.332
Base-Backbone interact. energy: -0.638
local terms energy: -137.645313
where:
bonds (distance) C4'-P energy: -34.147
bonds (distance) P-C4' energy: -24.587
flat angles C4'-P-C4' energy: -34.764
flat angles P-C4'-P energy: -17.523
tors. eta vs tors. theta energy: -26.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -388.178671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.178671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.178671 (E_RNA)
where:
Base-Base interactions energy: -250.508
where: short stacking energy: -122.402
Base-Backbone interact. energy: -2.630
local terms energy: -135.040215
where:
bonds (distance) C4'-P energy: -32.239
bonds (distance) P-C4' energy: -30.345
flat angles C4'-P-C4' energy: -26.876
flat angles P-C4'-P energy: -15.381
tors. eta vs tors. theta energy: -30.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -225.337390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.337390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.337390 (E_RNA)
where:
Base-Base interactions energy: -124.996
where: short stacking energy: -67.249
Base-Backbone interact. energy: -0.053
local terms energy: -100.288568
where:
bonds (distance) C4'-P energy: -30.354
bonds (distance) P-C4' energy: -25.182
flat angles C4'-P-C4' energy: -25.543
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -8.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -252.266807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.266807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.266807 (E_RNA)
where:
Base-Base interactions energy: -152.182
where: short stacking energy: -62.077
Base-Backbone interact. energy: 0.273
local terms energy: -100.357507
where:
bonds (distance) C4'-P energy: -28.367
bonds (distance) P-C4' energy: -21.316
flat angles C4'-P-C4' energy: -27.594
flat angles P-C4'-P energy: -18.702
tors. eta vs tors. theta energy: -4.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -162.134033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.134033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.134033 (E_RNA)
where:
Base-Base interactions energy: -71.509
where: short stacking energy: -38.418
Base-Backbone interact. energy: -1.848
local terms energy: -88.776982
where:
bonds (distance) C4'-P energy: -30.636
bonds (distance) P-C4' energy: -34.485
flat angles C4'-P-C4' energy: -25.307
flat angles P-C4'-P energy: -3.903
tors. eta vs tors. theta energy: 5.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -558.895791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.895791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.895791 (E_RNA)
where:
Base-Base interactions energy: -382.631
where: short stacking energy: -163.343
Base-Backbone interact. energy: -0.969
local terms energy: -175.295275
where:
bonds (distance) C4'-P energy: -33.907
bonds (distance) P-C4' energy: -35.273
flat angles C4'-P-C4' energy: -35.907
flat angles P-C4'-P energy: -25.408
tors. eta vs tors. theta energy: -44.800
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: 2, replica: 5
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -487.086433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.086433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.086433 (E_RNA)
where:
Base-Base interactions energy: -325.072
where: short stacking energy: -140.155
Base-Backbone interact. energy: -2.533
local terms energy: -159.481291
where:
bonds (distance) C4'-P energy: -34.787
bonds (distance) P-C4' energy: -29.828
flat angles C4'-P-C4' energy: -33.847
flat angles P-C4'-P energy: -22.444
tors. eta vs tors. theta energy: -38.576
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: 6
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -513.238196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.238196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.238196 (E_RNA)
where:
Base-Base interactions energy: -351.893
where: short stacking energy: -159.862
Base-Backbone interact. energy: -0.115
local terms energy: -161.230443
where:
bonds (distance) C4'-P energy: -34.459
bonds (distance) P-C4' energy: -31.117
flat angles C4'-P-C4' energy: -28.980
flat angles P-C4'-P energy: -20.785
tors. eta vs tors. theta energy: -45.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -472.524702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.524702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.524702 (E_RNA)
where:
Base-Base interactions energy: -314.020
where: short stacking energy: -141.506
Base-Backbone interact. energy: -1.097
local terms energy: -157.408054
where:
bonds (distance) C4'-P energy: -33.823
bonds (distance) P-C4' energy: -32.640
flat angles C4'-P-C4' energy: -35.857
flat angles P-C4'-P energy: -16.547
tors. eta vs tors. theta energy: -38.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -408.683213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.683213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.683213 (E_RNA)
where:
Base-Base interactions energy: -276.584
where: short stacking energy: -122.032
Base-Backbone interact. energy: 2.950
local terms energy: -135.049208
where:
bonds (distance) C4'-P energy: -24.674
bonds (distance) P-C4' energy: -29.646
flat angles C4'-P-C4' energy: -23.970
flat angles P-C4'-P energy: -24.654
tors. eta vs tors. theta energy: -32.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -430.479269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.479269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.479269 (E_RNA)
where:
Base-Base interactions energy: -281.209
where: short stacking energy: -132.212
Base-Backbone interact. energy: -1.677
local terms energy: -147.593117
where:
bonds (distance) C4'-P energy: -31.957
bonds (distance) P-C4' energy: -27.719
flat angles C4'-P-C4' energy: -30.512
flat angles P-C4'-P energy: -18.345
tors. eta vs tors. theta energy: -39.060
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: 3
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -369.644492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.644492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.644492 (E_RNA)
where:
Base-Base interactions energy: -245.036
where: short stacking energy: -109.586
Base-Backbone interact. energy: -0.677
local terms energy: -123.930657
where:
bonds (distance) C4'-P energy: -32.389
bonds (distance) P-C4' energy: -24.773
flat angles C4'-P-C4' energy: -26.984
flat angles P-C4'-P energy: -18.888
tors. eta vs tors. theta energy: -20.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -234.421535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.421535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.421535 (E_RNA)
where:
Base-Base interactions energy: -126.916
where: short stacking energy: -72.768
Base-Backbone interact. energy: -1.069
local terms energy: -106.436578
where:
bonds (distance) C4'-P energy: -24.895
bonds (distance) P-C4' energy: -26.656
flat angles C4'-P-C4' energy: -29.913
flat angles P-C4'-P energy: -13.158
tors. eta vs tors. theta energy: -11.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -185.848200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.848200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.848200 (E_RNA)
where:
Base-Base interactions energy: -100.449
where: short stacking energy: -53.788
Base-Backbone interact. energy: 3.232
local terms energy: -88.630529
where:
bonds (distance) C4'-P energy: -29.861
bonds (distance) P-C4' energy: -30.154
flat angles C4'-P-C4' energy: -23.106
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: 4.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -210.471288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.471288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.471288 (E_RNA)
where:
Base-Base interactions energy: -105.263
where: short stacking energy: -48.997
Base-Backbone interact. energy: -0.634
local terms energy: -104.575116
where:
bonds (distance) C4'-P energy: -25.962
bonds (distance) P-C4' energy: -27.271
flat angles C4'-P-C4' energy: -29.225
flat angles P-C4'-P energy: -18.190
tors. eta vs tors. theta energy: -3.927
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: 2
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -550.336414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.336414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.336414 (E_RNA)
where:
Base-Base interactions energy: -382.756
where: short stacking energy: -162.150
Base-Backbone interact. energy: -1.447
local terms energy: -166.133369
where:
bonds (distance) C4'-P energy: -28.272
bonds (distance) P-C4' energy: -32.826
flat angles C4'-P-C4' energy: -32.565
flat angles P-C4'-P energy: -27.007
tors. eta vs tors. theta energy: -45.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -498.666365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.666365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.666365 (E_RNA)
where:
Base-Base interactions energy: -334.568
where: short stacking energy: -140.595
Base-Backbone interact. energy: 0.130
local terms energy: -164.227823
where:
bonds (distance) C4'-P energy: -34.954
bonds (distance) P-C4' energy: -33.178
flat angles C4'-P-C4' energy: -34.307
flat angles P-C4'-P energy: -26.544
tors. eta vs tors. theta energy: -35.244
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: 3, replica: 6
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -503.843069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.843069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.843069 (E_RNA)
where:
Base-Base interactions energy: -337.863
where: short stacking energy: -159.040
Base-Backbone interact. energy: -0.049
local terms energy: -165.930668
where:
bonds (distance) C4'-P energy: -34.293
bonds (distance) P-C4' energy: -28.419
flat angles C4'-P-C4' energy: -32.282
flat angles P-C4'-P energy: -24.480
tors. eta vs tors. theta energy: -46.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -485.120230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.120230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.120230 (E_RNA)
where:
Base-Base interactions energy: -338.844
where: short stacking energy: -144.798
Base-Backbone interact. energy: -1.189
local terms energy: -145.087418
where:
bonds (distance) C4'-P energy: -24.021
bonds (distance) P-C4' energy: -29.824
flat angles C4'-P-C4' energy: -34.139
flat angles P-C4'-P energy: -19.299
tors. eta vs tors. theta energy: -37.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -445.106723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.106723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.106723 (E_RNA)
where:
Base-Base interactions energy: -298.011
where: short stacking energy: -138.586
Base-Backbone interact. energy: 0.969
local terms energy: -148.064999
where:
bonds (distance) C4'-P energy: -29.750
bonds (distance) P-C4' energy: -32.830
flat angles C4'-P-C4' energy: -35.135
flat angles P-C4'-P energy: -15.425
tors. eta vs tors. theta energy: -34.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -414.414761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.414761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.414761 (E_RNA)
where:
Base-Base interactions energy: -273.179
where: short stacking energy: -117.530
Base-Backbone interact. energy: -0.214
local terms energy: -141.021501
where:
bonds (distance) C4'-P energy: -28.682
bonds (distance) P-C4' energy: -27.204
flat angles C4'-P-C4' energy: -26.219
flat angles P-C4'-P energy: -23.209
tors. eta vs tors. theta energy: -35.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -369.639408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.639408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.639408 (E_RNA)
where:
Base-Base interactions energy: -248.833
where: short stacking energy: -116.548
Base-Backbone interact. energy: -0.776
local terms energy: -120.030180
where:
bonds (distance) C4'-P energy: -21.175
bonds (distance) P-C4' energy: -29.994
flat angles C4'-P-C4' energy: -25.683
flat angles P-C4'-P energy: -20.337
tors. eta vs tors. theta energy: -22.841
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: 8
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -245.957974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.957974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.957974 (E_RNA)
where:
Base-Base interactions energy: -143.573
where: short stacking energy: -73.053
Base-Backbone interact. energy: 4.595
local terms energy: -106.979430
where:
bonds (distance) C4'-P energy: -21.900
bonds (distance) P-C4' energy: -28.493
flat angles C4'-P-C4' energy: -30.989
flat angles P-C4'-P energy: -12.846
tors. eta vs tors. theta energy: -12.750
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: 4
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -255.215920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.215920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.215920 (E_RNA)
where:
Base-Base interactions energy: -135.971
where: short stacking energy: -86.726
Base-Backbone interact. energy: 0.115
local terms energy: -119.359373
where:
bonds (distance) C4'-P energy: -24.128
bonds (distance) P-C4' energy: -33.007
flat angles C4'-P-C4' energy: -30.374
flat angles P-C4'-P energy: -11.858
tors. eta vs tors. theta energy: -19.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -177.441349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.441349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.441349 (E_RNA)
where:
Base-Base interactions energy: -62.768
where: short stacking energy: -62.006
Base-Backbone interact. energy: -0.308
local terms energy: -114.364770
where:
bonds (distance) C4'-P energy: -24.453
bonds (distance) P-C4' energy: -35.234
flat angles C4'-P-C4' energy: -23.171
flat angles P-C4'-P energy: -18.140
tors. eta vs tors. theta energy: -13.367
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: 2
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -551.432465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.432465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.432465 (E_RNA)
where:
Base-Base interactions energy: -387.295
where: short stacking energy: -165.585
Base-Backbone interact. energy: -0.809
local terms energy: -163.328601
where:
bonds (distance) C4'-P energy: -27.295
bonds (distance) P-C4' energy: -29.801
flat angles C4'-P-C4' energy: -35.353
flat angles P-C4'-P energy: -29.197
tors. eta vs tors. theta energy: -41.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -525.118105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.118105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.118105 (E_RNA)
where:
Base-Base interactions energy: -348.420
where: short stacking energy: -164.974
Base-Backbone interact. energy: -0.023
local terms energy: -176.675065
where:
bonds (distance) C4'-P energy: -33.086
bonds (distance) P-C4' energy: -32.834
flat angles C4'-P-C4' energy: -38.541
flat angles P-C4'-P energy: -23.421
tors. eta vs tors. theta energy: -48.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -484.132946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.132946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.132946 (E_RNA)
where:
Base-Base interactions energy: -331.974
where: short stacking energy: -140.508
Base-Backbone interact. energy: 0.063
local terms energy: -152.222010
where:
bonds (distance) C4'-P energy: -28.041
bonds (distance) P-C4' energy: -28.488
flat angles C4'-P-C4' energy: -38.982
flat angles P-C4'-P energy: -19.690
tors. eta vs tors. theta energy: -37.021
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: 10
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -501.442581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.442581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.442581 (E_RNA)
where:
Base-Base interactions energy: -337.137
where: short stacking energy: -148.521
Base-Backbone interact. energy: -1.922
local terms energy: -162.384032
where:
bonds (distance) C4'-P energy: -33.691
bonds (distance) P-C4' energy: -24.778
flat angles C4'-P-C4' energy: -33.243
flat angles P-C4'-P energy: -25.422
tors. eta vs tors. theta energy: -45.250
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: 5, replica: 1
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -433.425397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.425397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.425397 (E_RNA)
where:
Base-Base interactions energy: -298.671
where: short stacking energy: -135.397
Base-Backbone interact. energy: -0.295
local terms energy: -134.459331
where:
bonds (distance) C4'-P energy: -22.055
bonds (distance) P-C4' energy: -34.117
flat angles C4'-P-C4' energy: -24.199
flat angles P-C4'-P energy: -21.284
tors. eta vs tors. theta energy: -32.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -404.431985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.431985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.431985 (E_RNA)
where:
Base-Base interactions energy: -252.831
where: short stacking energy: -121.419
Base-Backbone interact. energy: 0.272
local terms energy: -151.873771
where:
bonds (distance) C4'-P energy: -34.076
bonds (distance) P-C4' energy: -33.540
flat angles C4'-P-C4' energy: -27.578
flat angles P-C4'-P energy: -23.980
tors. eta vs tors. theta energy: -32.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -370.952505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.952505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.952505 (E_RNA)
where:
Base-Base interactions energy: -240.752
where: short stacking energy: -100.695
Base-Backbone interact. energy: -0.864
local terms energy: -129.336264
where:
bonds (distance) C4'-P energy: -25.412
bonds (distance) P-C4' energy: -23.421
flat angles C4'-P-C4' energy: -30.686
flat angles P-C4'-P energy: -23.165
tors. eta vs tors. theta energy: -26.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -249.584840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.584840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.584840 (E_RNA)
where:
Base-Base interactions energy: -141.362
where: short stacking energy: -92.442
Base-Backbone interact. energy: -0.305
local terms energy: -107.918062
where:
bonds (distance) C4'-P energy: -33.431
bonds (distance) P-C4' energy: -17.597
flat angles C4'-P-C4' energy: -26.093
flat angles P-C4'-P energy: -17.342
tors. eta vs tors. theta energy: -13.455
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: 4
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -227.781942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.781942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.781942 (E_RNA)
where:
Base-Base interactions energy: -126.535
where: short stacking energy: -70.733
Base-Backbone interact. energy: 0.171
local terms energy: -101.418538
where:
bonds (distance) C4'-P energy: -29.289
bonds (distance) P-C4' energy: -28.617
flat angles C4'-P-C4' energy: -26.022
flat angles P-C4'-P energy: -14.064
tors. eta vs tors. theta energy: -3.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -160.003551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.003551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.003551 (E_RNA)
where:
Base-Base interactions energy: -88.025
where: short stacking energy: -49.295
Base-Backbone interact. energy: -0.794
local terms energy: -71.185222
where:
bonds (distance) C4'-P energy: -21.917
bonds (distance) P-C4' energy: -24.399
flat angles C4'-P-C4' energy: -19.577
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: 4.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -554.358234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.358234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.358234 (E_RNA)
where:
Base-Base interactions energy: -381.640
where: short stacking energy: -168.500
Base-Backbone interact. energy: -2.519
local terms energy: -170.198772
where:
bonds (distance) C4'-P energy: -29.845
bonds (distance) P-C4' energy: -33.418
flat angles C4'-P-C4' energy: -39.289
flat angles P-C4'-P energy: -21.999
tors. eta vs tors. theta energy: -45.646
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: 6
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -524.132022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.132022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.132022 (E_RNA)
where:
Base-Base interactions energy: -352.247
where: short stacking energy: -170.376
Base-Backbone interact. energy: -0.001
local terms energy: -171.884211
where:
bonds (distance) C4'-P energy: -28.183
bonds (distance) P-C4' energy: -30.693
flat angles C4'-P-C4' energy: -37.692
flat angles P-C4'-P energy: -26.261
tors. eta vs tors. theta energy: -49.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -484.246382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.246382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.246382 (E_RNA)
where:
Base-Base interactions energy: -337.617
where: short stacking energy: -149.461
Base-Backbone interact. energy: -1.504
local terms energy: -145.124851
where:
bonds (distance) C4'-P energy: -30.807
bonds (distance) P-C4' energy: -32.723
flat angles C4'-P-C4' energy: -27.316
flat angles P-C4'-P energy: -15.013
tors. eta vs tors. theta energy: -39.266
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: 116
Temperature: 1.050000
Total energy: -459.577967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.577967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.577967 (E_RNA)
where:
Base-Base interactions energy: -309.031
where: short stacking energy: -117.585
Base-Backbone interact. energy: -0.425
local terms energy: -150.122209
where:
bonds (distance) C4'-P energy: -34.176
bonds (distance) P-C4' energy: -31.853
flat angles C4'-P-C4' energy: -29.831
flat angles P-C4'-P energy: -16.686
tors. eta vs tors. theta energy: -37.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -425.323878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.323878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.323878 (E_RNA)
where:
Base-Base interactions energy: -296.100
where: short stacking energy: -114.999
Base-Backbone interact. energy: -0.411
local terms energy: -128.813255
where:
bonds (distance) C4'-P energy: -29.850
bonds (distance) P-C4' energy: -24.932
flat angles C4'-P-C4' energy: -37.898
flat angles P-C4'-P energy: -13.678
tors. eta vs tors. theta energy: -22.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -428.895867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.895867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.895867 (E_RNA)
where:
Base-Base interactions energy: -283.481
where: short stacking energy: -135.024
Base-Backbone interact. energy: -0.589
local terms energy: -144.826048
where:
bonds (distance) C4'-P energy: -27.347
bonds (distance) P-C4' energy: -28.237
flat angles C4'-P-C4' energy: -33.445
flat angles P-C4'-P energy: -20.913
tors. eta vs tors. theta energy: -34.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -381.271126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.271126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.271126 (E_RNA)
where:
Base-Base interactions energy: -255.853
where: short stacking energy: -103.467
Base-Backbone interact. energy: -1.819
local terms energy: -123.598935
where:
bonds (distance) C4'-P energy: -27.552
bonds (distance) P-C4' energy: -25.146
flat angles C4'-P-C4' energy: -22.846
flat angles P-C4'-P energy: -19.515
tors. eta vs tors. theta energy: -28.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -257.491780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.491780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.491780 (E_RNA)
where:
Base-Base interactions energy: -148.677
where: short stacking energy: -87.635
Base-Backbone interact. energy: -0.126
local terms energy: -108.688988
where:
bonds (distance) C4'-P energy: -21.787
bonds (distance) P-C4' energy: -30.503
flat angles C4'-P-C4' energy: -22.351
flat angles P-C4'-P energy: -13.135
tors. eta vs tors. theta energy: -20.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -163.921476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.921476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.921476 (E_RNA)
where:
Base-Base interactions energy: -73.890
where: short stacking energy: -59.158
Base-Backbone interact. energy: 0.210
local terms energy: -90.241941
where:
bonds (distance) C4'-P energy: -20.009
bonds (distance) P-C4' energy: -34.750
flat angles C4'-P-C4' energy: -23.578
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -1.984
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: 4
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -249.550270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.550270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.550270 (E_RNA)
where:
Base-Base interactions energy: -149.569
where: short stacking energy: -84.412
Base-Backbone interact. energy: -0.835
local terms energy: -99.146323
where:
bonds (distance) C4'-P energy: -30.215
bonds (distance) P-C4' energy: -19.915
flat angles C4'-P-C4' energy: -25.286
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -13.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -550.139261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.139261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.139261 (E_RNA)
where:
Base-Base interactions energy: -376.920
where: short stacking energy: -158.794
Base-Backbone interact. energy: -1.175
local terms energy: -172.045111
where:
bonds (distance) C4'-P energy: -35.382
bonds (distance) P-C4' energy: -35.437
flat angles C4'-P-C4' energy: -36.017
flat angles P-C4'-P energy: -19.414
tors. eta vs tors. theta energy: -45.795
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: 2, replica: 6
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -526.184913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.184913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.184913 (E_RNA)
where:
Base-Base interactions energy: -349.110
where: short stacking energy: -161.886
Base-Backbone interact. energy: -0.066
local terms energy: -177.008819
where:
bonds (distance) C4'-P energy: -30.885
bonds (distance) P-C4' energy: -35.117
flat angles C4'-P-C4' energy: -35.841
flat angles P-C4'-P energy: -24.964
tors. eta vs tors. theta energy: -50.201
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: 117
Temperature: 1.000000
Total energy: -511.125349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.125349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.125349 (E_RNA)
where:
Base-Base interactions energy: -349.516
where: short stacking energy: -164.209
Base-Backbone interact. energy: -1.489
local terms energy: -160.119499
where:
bonds (distance) C4'-P energy: -31.402
bonds (distance) P-C4' energy: -28.907
flat angles C4'-P-C4' energy: -35.182
flat angles P-C4'-P energy: -17.889
tors. eta vs tors. theta energy: -46.739
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: 117
Temperature: 1.050000
Total energy: -466.384185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.384185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.384185 (E_RNA)
where:
Base-Base interactions energy: -320.199
where: short stacking energy: -129.434
Base-Backbone interact. energy: -0.841
local terms energy: -145.343961
where:
bonds (distance) C4'-P energy: -24.475
bonds (distance) P-C4' energy: -33.174
flat angles C4'-P-C4' energy: -28.580
flat angles P-C4'-P energy: -23.309
tors. eta vs tors. theta energy: -35.806
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: 1
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -449.444704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.444704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.444704 (E_RNA)
where:
Base-Base interactions energy: -303.181
where: short stacking energy: -127.075
Base-Backbone interact. energy: -1.622
local terms energy: -144.641228
where:
bonds (distance) C4'-P energy: -16.200
bonds (distance) P-C4' energy: -31.375
flat angles C4'-P-C4' energy: -36.644
flat angles P-C4'-P energy: -20.685
tors. eta vs tors. theta energy: -39.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -415.697071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.697071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.697071 (E_RNA)
where:
Base-Base interactions energy: -277.012
where: short stacking energy: -124.173
Base-Backbone interact. energy: -1.736
local terms energy: -136.949078
where:
bonds (distance) C4'-P energy: -25.431
bonds (distance) P-C4' energy: -27.828
flat angles C4'-P-C4' energy: -30.478
flat angles P-C4'-P energy: -20.324
tors. eta vs tors. theta energy: -32.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -372.843859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.843859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.843859 (E_RNA)
where:
Base-Base interactions energy: -256.431
where: short stacking energy: -103.531
Base-Backbone interact. energy: 1.579
local terms energy: -117.992463
where:
bonds (distance) C4'-P energy: -20.072
bonds (distance) P-C4' energy: -27.736
flat angles C4'-P-C4' energy: -24.691
flat angles P-C4'-P energy: -19.900
tors. eta vs tors. theta energy: -25.593
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: 8
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -252.342603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.342603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.342603 (E_RNA)
where:
Base-Base interactions energy: -141.688
where: short stacking energy: -67.719
Base-Backbone interact. energy: -0.756
local terms energy: -109.898227
where:
bonds (distance) C4'-P energy: -29.662
bonds (distance) P-C4' energy: -29.913
flat angles C4'-P-C4' energy: -23.002
flat angles P-C4'-P energy: -21.644
tors. eta vs tors. theta energy: -5.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -168.653674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.653674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.653674 (E_RNA)
where:
Base-Base interactions energy: -65.744
where: short stacking energy: -50.142
Base-Backbone interact. energy: -0.755
local terms energy: -102.154324
where:
bonds (distance) C4'-P energy: -31.754
bonds (distance) P-C4' energy: -26.926
flat angles C4'-P-C4' energy: -23.022
flat angles P-C4'-P energy: -21.045
tors. eta vs tors. theta energy: 0.592
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: 10, replica: 4
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -231.574136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.574136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.574136 (E_RNA)
where:
Base-Base interactions energy: -129.744
where: short stacking energy: -56.110
Base-Backbone interact. energy: 2.178
local terms energy: -104.008409
where:
bonds (distance) C4'-P energy: -34.496
bonds (distance) P-C4' energy: -29.704
flat angles C4'-P-C4' energy: -24.956
flat angles P-C4'-P energy: -15.266
tors. eta vs tors. theta energy: 0.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -548.653710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.653710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.653710 (E_RNA)
where:
Base-Base interactions energy: -382.288
where: short stacking energy: -164.474
Base-Backbone interact. energy: -1.413
local terms energy: -164.953151
where:
bonds (distance) C4'-P energy: -29.831
bonds (distance) P-C4' energy: -30.368
flat angles C4'-P-C4' energy: -34.169
flat angles P-C4'-P energy: -25.511
tors. eta vs tors. theta energy: -45.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -516.512422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.512422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.512422 (E_RNA)
where:
Base-Base interactions energy: -347.161
where: short stacking energy: -160.472
Base-Backbone interact. energy: -0.556
local terms energy: -168.795550
where:
bonds (distance) C4'-P energy: -28.085
bonds (distance) P-C4' energy: -30.206
flat angles C4'-P-C4' energy: -38.065
flat angles P-C4'-P energy: -22.289
tors. eta vs tors. theta energy: -50.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -493.375297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.375297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.375297 (E_RNA)
where:
Base-Base interactions energy: -338.118
where: short stacking energy: -156.310
Base-Backbone interact. energy: 0.274
local terms energy: -155.531273
where:
bonds (distance) C4'-P energy: -25.000
bonds (distance) P-C4' energy: -26.728
flat angles C4'-P-C4' energy: -35.024
flat angles P-C4'-P energy: -22.876
tors. eta vs tors. theta energy: -45.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -437.161904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.161904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.161904 (E_RNA)
where:
Base-Base interactions energy: -304.625
where: short stacking energy: -121.107
Base-Backbone interact. energy: -0.571
local terms energy: -131.965290
where:
bonds (distance) C4'-P energy: -27.640
bonds (distance) P-C4' energy: -23.530
flat angles C4'-P-C4' energy: -31.782
flat angles P-C4'-P energy: -22.150
tors. eta vs tors. theta energy: -26.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -414.939039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.939039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.939039 (E_RNA)
where:
Base-Base interactions energy: -272.530
where: short stacking energy: -134.340
Base-Backbone interact. energy: -2.204
local terms energy: -140.205654
where:
bonds (distance) C4'-P energy: -23.901
bonds (distance) P-C4' energy: -32.928
flat angles C4'-P-C4' energy: -29.119
flat angles P-C4'-P energy: -18.081
tors. eta vs tors. theta energy: -36.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -438.112659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.112659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.112659 (E_RNA)
where:
Base-Base interactions energy: -286.854
where: short stacking energy: -115.853
Base-Backbone interact. energy: 0.299
local terms energy: -151.557279
where:
bonds (distance) C4'-P energy: -33.556
bonds (distance) P-C4' energy: -25.948
flat angles C4'-P-C4' energy: -32.404
flat angles P-C4'-P energy: -25.321
tors. eta vs tors. theta energy: -34.330
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: 3
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -385.886691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.886691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.886691 (E_RNA)
where:
Base-Base interactions energy: -257.642
where: short stacking energy: -110.126
Base-Backbone interact. energy: -1.258
local terms energy: -126.986239
where:
bonds (distance) C4'-P energy: -24.883
bonds (distance) P-C4' energy: -31.975
flat angles C4'-P-C4' energy: -24.382
flat angles P-C4'-P energy: -18.982
tors. eta vs tors. theta energy: -26.764
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: 8
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -240.560018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.560018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.560018 (E_RNA)
where:
Base-Base interactions energy: -126.681
where: short stacking energy: -75.691
Base-Backbone interact. energy: -0.257
local terms energy: -113.622312
where:
bonds (distance) C4'-P energy: -25.900
bonds (distance) P-C4' energy: -28.917
flat angles C4'-P-C4' energy: -27.246
flat angles P-C4'-P energy: -17.046
tors. eta vs tors. theta energy: -14.513
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: 4
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -222.036056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.036056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.036056 (E_RNA)
where:
Base-Base interactions energy: -110.585
where: short stacking energy: -64.537
Base-Backbone interact. energy: -1.209
local terms energy: -110.241925
where:
bonds (distance) C4'-P energy: -33.173
bonds (distance) P-C4' energy: -19.291
flat angles C4'-P-C4' energy: -30.394
flat angles P-C4'-P energy: -16.285
tors. eta vs tors. theta energy: -11.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -177.083946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.083946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.083946 (E_RNA)
where:
Base-Base interactions energy: -90.957
where: short stacking energy: -51.378
Base-Backbone interact. energy: 1.763
local terms energy: -87.889821
where:
bonds (distance) C4'-P energy: -23.975
bonds (distance) P-C4' energy: -27.343
flat angles C4'-P-C4' energy: -25.032
flat angles P-C4'-P energy: -15.622
tors. eta vs tors. theta energy: 4.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -557.373661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.373661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.373661 (E_RNA)
where:
Base-Base interactions energy: -386.520
where: short stacking energy: -162.259
Base-Backbone interact. energy: -1.306
local terms energy: -169.547556
where:
bonds (distance) C4'-P energy: -33.112
bonds (distance) P-C4' energy: -32.768
flat angles C4'-P-C4' energy: -36.590
flat angles P-C4'-P energy: -24.877
tors. eta vs tors. theta energy: -42.200
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: 2, replica: 6
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -515.143882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.143882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.143882 (E_RNA)
where:
Base-Base interactions energy: -356.104
where: short stacking energy: -160.872
Base-Backbone interact. energy: -0.385
local terms energy: -158.654549
where:
bonds (distance) C4'-P energy: -25.125
bonds (distance) P-C4' energy: -34.106
flat angles C4'-P-C4' energy: -33.932
flat angles P-C4'-P energy: -19.644
tors. eta vs tors. theta energy: -45.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -494.910227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.910227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.910227 (E_RNA)
where:
Base-Base interactions energy: -330.767
where: short stacking energy: -151.998
Base-Backbone interact. energy: -0.402
local terms energy: -163.741483
where:
bonds (distance) C4'-P energy: -28.308
bonds (distance) P-C4' energy: -30.910
flat angles C4'-P-C4' energy: -32.020
flat angles P-C4'-P energy: -28.302
tors. eta vs tors. theta energy: -44.201
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: 4, replica: 5
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -450.877118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.877118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.877118 (E_RNA)
where:
Base-Base interactions energy: -312.604
where: short stacking energy: -133.557
Base-Backbone interact. energy: -1.406
local terms energy: -136.866348
where:
bonds (distance) C4'-P energy: -26.424
bonds (distance) P-C4' energy: -25.565
flat angles C4'-P-C4' energy: -34.473
flat angles P-C4'-P energy: -23.473
tors. eta vs tors. theta energy: -26.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -407.114222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.114222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.114222 (E_RNA)
where:
Base-Base interactions energy: -269.776
where: short stacking energy: -117.673
Base-Backbone interact. energy: -0.083
local terms energy: -137.255108
where:
bonds (distance) C4'-P energy: -22.050
bonds (distance) P-C4' energy: -22.661
flat angles C4'-P-C4' energy: -38.884
flat angles P-C4'-P energy: -21.193
tors. eta vs tors. theta energy: -32.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -458.073677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.073677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.073677 (E_RNA)
where:
Base-Base interactions energy: -313.603
where: short stacking energy: -142.309
Base-Backbone interact. energy: -2.667
local terms energy: -141.803183
where:
bonds (distance) C4'-P energy: -27.318
bonds (distance) P-C4' energy: -25.706
flat angles C4'-P-C4' energy: -35.667
flat angles P-C4'-P energy: -15.802
tors. eta vs tors. theta energy: -37.311
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: 3
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -385.064922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.064922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.064922 (E_RNA)
where:
Base-Base interactions energy: -250.836
where: short stacking energy: -106.721
Base-Backbone interact. energy: -0.007
local terms energy: -134.222495
where:
bonds (distance) C4'-P energy: -25.927
bonds (distance) P-C4' energy: -37.832
flat angles C4'-P-C4' energy: -28.241
flat angles P-C4'-P energy: -19.921
tors. eta vs tors. theta energy: -22.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -247.402457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.402457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.402457 (E_RNA)
where:
Base-Base interactions energy: -135.259
where: short stacking energy: -83.947
Base-Backbone interact. energy: -0.062
local terms energy: -112.080660
where:
bonds (distance) C4'-P energy: -19.937
bonds (distance) P-C4' energy: -31.050
flat angles C4'-P-C4' energy: -29.374
flat angles P-C4'-P energy: -13.616
tors. eta vs tors. theta energy: -18.104
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: 4
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -186.595897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.595897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.595897 (E_RNA)
where:
Base-Base interactions energy: -104.609
where: short stacking energy: -48.857
Base-Backbone interact. energy: -0.037
local terms energy: -81.949925
where:
bonds (distance) C4'-P energy: -32.661
bonds (distance) P-C4' energy: -14.326
flat angles C4'-P-C4' energy: -27.350
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: 0.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -147.165012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.165012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.165012 (E_RNA)
where:
Base-Base interactions energy: -43.595
where: short stacking energy: -43.265
Base-Backbone interact. energy: 1.030
local terms energy: -104.600357
where:
bonds (distance) C4'-P energy: -25.444
bonds (distance) P-C4' energy: -32.545
flat angles C4'-P-C4' energy: -21.806
flat angles P-C4'-P energy: -21.118
tors. eta vs tors. theta energy: -3.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -569.703798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.703798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.703798 (E_RNA)
where:
Base-Base interactions energy: -396.931
where: short stacking energy: -169.037
Base-Backbone interact. energy: -0.794
local terms energy: -171.979039
where:
bonds (distance) C4'-P energy: -34.221
bonds (distance) P-C4' energy: -34.823
flat angles C4'-P-C4' energy: -37.104
flat angles P-C4'-P energy: -22.415
tors. eta vs tors. theta energy: -43.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -510.514198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.514198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.514198 (E_RNA)
where:
Base-Base interactions energy: -349.218
where: short stacking energy: -160.631
Base-Backbone interact. energy: 0.211
local terms energy: -161.507971
where:
bonds (distance) C4'-P energy: -30.143
bonds (distance) P-C4' energy: -24.094
flat angles C4'-P-C4' energy: -37.590
flat angles P-C4'-P energy: -22.491
tors. eta vs tors. theta energy: -47.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -467.782256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.782256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.782256 (E_RNA)
where:
Base-Base interactions energy: -323.523
where: short stacking energy: -131.864
Base-Backbone interact. energy: -0.713
local terms energy: -143.547116
where:
bonds (distance) C4'-P energy: -30.337
bonds (distance) P-C4' energy: -25.047
flat angles C4'-P-C4' energy: -30.323
flat angles P-C4'-P energy: -24.182
tors. eta vs tors. theta energy: -33.658
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: 10
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -486.630483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.630483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.630483 (E_RNA)
where:
Base-Base interactions energy: -333.014
where: short stacking energy: -154.081
Base-Backbone interact. energy: -0.140
local terms energy: -153.476628
where:
bonds (distance) C4'-P energy: -29.187
bonds (distance) P-C4' energy: -37.255
flat angles C4'-P-C4' energy: -28.137
flat angles P-C4'-P energy: -24.583
tors. eta vs tors. theta energy: -34.315
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: 5, replica: 1
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -425.618653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.618653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.618653 (E_RNA)
where:
Base-Base interactions energy: -282.167
where: short stacking energy: -139.906
Base-Backbone interact. energy: -0.994
local terms energy: -142.457676
where:
bonds (distance) C4'-P energy: -30.899
bonds (distance) P-C4' energy: -29.554
flat angles C4'-P-C4' energy: -28.789
flat angles P-C4'-P energy: -15.965
tors. eta vs tors. theta energy: -37.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -417.696898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.696898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.696898 (E_RNA)
where:
Base-Base interactions energy: -273.068
where: short stacking energy: -123.894
Base-Backbone interact. energy: -1.898
local terms energy: -142.730698
where:
bonds (distance) C4'-P energy: -24.804
bonds (distance) P-C4' energy: -32.818
flat angles C4'-P-C4' energy: -29.109
flat angles P-C4'-P energy: -26.226
tors. eta vs tors. theta energy: -29.773
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: 120
Temperature: 1.200000
Total energy: -385.103940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.103940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.103940 (E_RNA)
where:
Base-Base interactions energy: -257.774
where: short stacking energy: -114.048
Base-Backbone interact. energy: 0.874
local terms energy: -128.203552
where:
bonds (distance) C4'-P energy: -28.082
bonds (distance) P-C4' energy: -35.431
flat angles C4'-P-C4' energy: -21.085
flat angles P-C4'-P energy: -18.727
tors. eta vs tors. theta energy: -24.879
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: 8
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -226.052487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.052487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.052487 (E_RNA)
where:
Base-Base interactions energy: -124.769
where: short stacking energy: -71.519
Base-Backbone interact. energy: -0.647
local terms energy: -100.636349
where:
bonds (distance) C4'-P energy: -21.734
bonds (distance) P-C4' energy: -27.906
flat angles C4'-P-C4' energy: -26.916
flat angles P-C4'-P energy: -13.647
tors. eta vs tors. theta energy: -10.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -168.578404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.578404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.578404 (E_RNA)
where:
Base-Base interactions energy: -71.069
where: short stacking energy: -62.485
Base-Backbone interact. energy: 2.527
local terms energy: -100.035567
where:
bonds (distance) C4'-P energy: -22.251
bonds (distance) P-C4' energy: -30.119
flat angles C4'-P-C4' energy: -30.298
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -7.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -153.589239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.589239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.589239 (E_RNA)
where:
Base-Base interactions energy: -71.737
where: short stacking energy: -46.968
Base-Backbone interact. energy: -0.672
local terms energy: -81.179353
where:
bonds (distance) C4'-P energy: -29.680
bonds (distance) P-C4' energy: -19.428
flat angles C4'-P-C4' energy: -17.186
flat angles P-C4'-P energy: -17.711
tors. eta vs tors. theta energy: 2.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -534.981805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.981805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.981805 (E_RNA)
where:
Base-Base interactions energy: -373.558
where: short stacking energy: -159.995
Base-Backbone interact. energy: -1.464
local terms energy: -159.960620
where:
bonds (distance) C4'-P energy: -30.561
bonds (distance) P-C4' energy: -32.103
flat angles C4'-P-C4' energy: -30.720
flat angles P-C4'-P energy: -24.819
tors. eta vs tors. theta energy: -41.758
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: 2, replica: 6
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -504.796760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.796760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.796760 (E_RNA)
where:
Base-Base interactions energy: -346.697
where: short stacking energy: -157.416
Base-Backbone interact. energy: -0.675
local terms energy: -157.424757
where:
bonds (distance) C4'-P energy: -32.371
bonds (distance) P-C4' energy: -27.899
flat angles C4'-P-C4' energy: -26.099
flat angles P-C4'-P energy: -23.821
tors. eta vs tors. theta energy: -47.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -484.369878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.369878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.369878 (E_RNA)
where:
Base-Base interactions energy: -328.267
where: short stacking energy: -146.035
Base-Backbone interact. energy: -0.890
local terms energy: -155.212760
where:
bonds (distance) C4'-P energy: -31.152
bonds (distance) P-C4' energy: -29.571
flat angles C4'-P-C4' energy: -34.017
flat angles P-C4'-P energy: -22.316
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: 4, replica: 10
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -504.957038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.957038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.957038 (E_RNA)
where:
Base-Base interactions energy: -351.677
where: short stacking energy: -164.032
Base-Backbone interact. energy: -2.265
local terms energy: -151.015395
where:
bonds (distance) C4'-P energy: -21.494
bonds (distance) P-C4' energy: -33.636
flat angles C4'-P-C4' energy: -32.370
flat angles P-C4'-P energy: -17.883
tors. eta vs tors. theta energy: -45.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -423.895505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.895505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.895505 (E_RNA)
where:
Base-Base interactions energy: -283.418
where: short stacking energy: -139.558
Base-Backbone interact. energy: -1.184
local terms energy: -139.293197
where:
bonds (distance) C4'-P energy: -28.646
bonds (distance) P-C4' energy: -24.803
flat angles C4'-P-C4' energy: -31.227
flat angles P-C4'-P energy: -17.572
tors. eta vs tors. theta energy: -37.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -398.089884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.089884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.089884 (E_RNA)
where:
Base-Base interactions energy: -269.460
where: short stacking energy: -112.744
Base-Backbone interact. energy: -0.342
local terms energy: -128.288365
where:
bonds (distance) C4'-P energy: -27.226
bonds (distance) P-C4' energy: -28.335
flat angles C4'-P-C4' energy: -26.555
flat angles P-C4'-P energy: -22.025
tors. eta vs tors. theta energy: -24.148
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: 7
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -354.173595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.173595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.173595 (E_RNA)
where:
Base-Base interactions energy: -222.336
where: short stacking energy: -111.017
Base-Backbone interact. energy: -0.997
local terms energy: -130.841473
where:
bonds (distance) C4'-P energy: -28.645
bonds (distance) P-C4' energy: -28.443
flat angles C4'-P-C4' energy: -26.617
flat angles P-C4'-P energy: -26.451
tors. eta vs tors. theta energy: -20.686
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: 8
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -241.692027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.692027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.692027 (E_RNA)
where:
Base-Base interactions energy: -127.103
where: short stacking energy: -82.223
Base-Backbone interact. energy: 1.474
local terms energy: -116.062695
where:
bonds (distance) C4'-P energy: -29.030
bonds (distance) P-C4' energy: -25.507
flat angles C4'-P-C4' energy: -21.453
flat angles P-C4'-P energy: -23.720
tors. eta vs tors. theta energy: -16.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -188.237343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.237343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.237343 (E_RNA)
where:
Base-Base interactions energy: -89.242
where: short stacking energy: -68.672
Base-Backbone interact. energy: 5.870
local terms energy: -104.865506
where:
bonds (distance) C4'-P energy: -27.984
bonds (distance) P-C4' energy: -23.511
flat angles C4'-P-C4' energy: -26.612
flat angles P-C4'-P energy: -15.885
tors. eta vs tors. theta energy: -10.875
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: 4
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -163.242704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.242704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.242704 (E_RNA)
where:
Base-Base interactions energy: -68.766
where: short stacking energy: -56.042
Base-Backbone interact. energy: -0.369
local terms energy: -94.108019
where:
bonds (distance) C4'-P energy: -29.203
bonds (distance) P-C4' energy: -31.219
flat angles C4'-P-C4' energy: -20.205
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -4.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -537.527020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.527020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.527020 (E_RNA)
where:
Base-Base interactions energy: -364.229
where: short stacking energy: -160.135
Base-Backbone interact. energy: -1.810
local terms energy: -171.487793
where:
bonds (distance) C4'-P energy: -24.501
bonds (distance) P-C4' energy: -38.682
flat angles C4'-P-C4' energy: -36.326
flat angles P-C4'-P energy: -22.342
tors. eta vs tors. theta energy: -49.638
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: 2, replica: 6
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -530.009714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.009714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.009714 (E_RNA)
where:
Base-Base interactions energy: -359.429
where: short stacking energy: -160.557
Base-Backbone interact. energy: -0.728
local terms energy: -169.852626
where:
bonds (distance) C4'-P energy: -30.835
bonds (distance) P-C4' energy: -31.532
flat angles C4'-P-C4' energy: -30.560
flat angles P-C4'-P energy: -29.374
tors. eta vs tors. theta energy: -47.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -513.854294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.854294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.854294 (E_RNA)
where:
Base-Base interactions energy: -347.346
where: short stacking energy: -156.350
Base-Backbone interact. energy: -0.423
local terms energy: -166.085106
where:
bonds (distance) C4'-P energy: -33.780
bonds (distance) P-C4' energy: -27.074
flat angles C4'-P-C4' energy: -37.607
flat angles P-C4'-P energy: -22.115
tors. eta vs tors. theta energy: -45.509
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: 122
Temperature: 1.050000
Total energy: -459.211536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.211536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.211536 (E_RNA)
where:
Base-Base interactions energy: -317.913
where: short stacking energy: -133.538
Base-Backbone interact. energy: -1.179
local terms energy: -140.119152
where:
bonds (distance) C4'-P energy: -26.658
bonds (distance) P-C4' energy: -30.979
flat angles C4'-P-C4' energy: -29.669
flat angles P-C4'-P energy: -18.048
tors. eta vs tors. theta energy: -34.765
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: 1
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -424.648190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.648190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.648190 (E_RNA)
where:
Base-Base interactions energy: -274.094
where: short stacking energy: -130.762
Base-Backbone interact. energy: -1.091
local terms energy: -149.463101
where:
bonds (distance) C4'-P energy: -25.810
bonds (distance) P-C4' energy: -22.401
flat angles C4'-P-C4' energy: -37.213
flat angles P-C4'-P energy: -25.618
tors. eta vs tors. theta energy: -38.422
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: 122
Temperature: 1.150000
Total energy: -413.477179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.477179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.477179 (E_RNA)
where:
Base-Base interactions energy: -273.358
where: short stacking energy: -109.798
Base-Backbone interact. energy: 0.919
local terms energy: -141.038510
where:
bonds (distance) C4'-P energy: -27.851
bonds (distance) P-C4' energy: -28.314
flat angles C4'-P-C4' energy: -27.877
flat angles P-C4'-P energy: -26.926
tors. eta vs tors. theta energy: -30.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -338.385561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.385561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.385561 (E_RNA)
where:
Base-Base interactions energy: -204.273
where: short stacking energy: -106.872
Base-Backbone interact. energy: -0.417
local terms energy: -133.696200
where:
bonds (distance) C4'-P energy: -27.230
bonds (distance) P-C4' energy: -29.804
flat angles C4'-P-C4' energy: -29.653
flat angles P-C4'-P energy: -20.484
tors. eta vs tors. theta energy: -26.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -245.568485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.568485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.568485 (E_RNA)
where:
Base-Base interactions energy: -134.137
where: short stacking energy: -90.205
Base-Backbone interact. energy: -0.348
local terms energy: -111.084088
where:
bonds (distance) C4'-P energy: -19.749
bonds (distance) P-C4' energy: -27.214
flat angles C4'-P-C4' energy: -22.093
flat angles P-C4'-P energy: -22.198
tors. eta vs tors. theta energy: -19.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -157.400236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.400236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.400236 (E_RNA)
where:
Base-Base interactions energy: -60.504
where: short stacking energy: -60.504
Base-Backbone interact. energy: 0.109
local terms energy: -97.005719
where:
bonds (distance) C4'-P energy: -30.475
bonds (distance) P-C4' energy: -20.557
flat angles C4'-P-C4' energy: -26.412
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -9.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -162.777441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.777441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.777441 (E_RNA)
where:
Base-Base interactions energy: -65.676
where: short stacking energy: -59.204
Base-Backbone interact. energy: 1.588
local terms energy: -98.688951
where:
bonds (distance) C4'-P energy: -24.030
bonds (distance) P-C4' energy: -35.206
flat angles C4'-P-C4' energy: -29.062
flat angles P-C4'-P energy: -7.379
tors. eta vs tors. theta energy: -3.012
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: 2
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -536.318236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.318236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.318236 (E_RNA)
where:
Base-Base interactions energy: -369.610
where: short stacking energy: -163.056
Base-Backbone interact. energy: -0.189
local terms energy: -166.519325
where:
bonds (distance) C4'-P energy: -29.882
bonds (distance) P-C4' energy: -35.345
flat angles C4'-P-C4' energy: -33.732
flat angles P-C4'-P energy: -25.802
tors. eta vs tors. theta energy: -41.758
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: 2, replica: 6
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -533.363094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.363094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.363094 (E_RNA)
where:
Base-Base interactions energy: -358.690
where: short stacking energy: -156.926
Base-Backbone interact. energy: -1.006
local terms energy: -173.666267
where:
bonds (distance) C4'-P energy: -30.491
bonds (distance) P-C4' energy: -35.163
flat angles C4'-P-C4' energy: -35.124
flat angles P-C4'-P energy: -26.442
tors. eta vs tors. theta energy: -46.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -493.702831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.702831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.702831 (E_RNA)
where:
Base-Base interactions energy: -326.692
where: short stacking energy: -145.422
Base-Backbone interact. energy: -2.196
local terms energy: -164.814622
where:
bonds (distance) C4'-P energy: -33.618
bonds (distance) P-C4' energy: -30.657
flat angles C4'-P-C4' energy: -37.408
flat angles P-C4'-P energy: -27.420
tors. eta vs tors. theta energy: -35.712
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: 1
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -442.099901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.099901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.099901 (E_RNA)
where:
Base-Base interactions energy: -283.929
where: short stacking energy: -134.928
Base-Backbone interact. energy: -0.355
local terms energy: -157.816122
where:
bonds (distance) C4'-P energy: -36.541
bonds (distance) P-C4' energy: -27.774
flat angles C4'-P-C4' energy: -33.797
flat angles P-C4'-P energy: -25.333
tors. eta vs tors. theta energy: -34.372
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: 5
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -450.216275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.216275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.216275 (E_RNA)
where:
Base-Base interactions energy: -298.166
where: short stacking energy: -128.655
Base-Backbone interact. energy: 0.041
local terms energy: -152.091952
where:
bonds (distance) C4'-P energy: -34.532
bonds (distance) P-C4' energy: -24.504
flat angles C4'-P-C4' energy: -29.926
flat angles P-C4'-P energy: -24.958
tors. eta vs tors. theta energy: -38.173
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: 3
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -402.272457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.272457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.272457 (E_RNA)
where:
Base-Base interactions energy: -258.476
where: short stacking energy: -114.768
Base-Backbone interact. energy: -0.451
local terms energy: -143.345510
where:
bonds (distance) C4'-P energy: -26.175
bonds (distance) P-C4' energy: -35.616
flat angles C4'-P-C4' energy: -34.198
flat angles P-C4'-P energy: -18.716
tors. eta vs tors. theta energy: -28.641
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: 7, replica: 7
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -325.401585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.401585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.401585 (E_RNA)
where:
Base-Base interactions energy: -205.563
where: short stacking energy: -107.362
Base-Backbone interact. energy: -0.206
local terms energy: -119.632474
where:
bonds (distance) C4'-P energy: -27.893
bonds (distance) P-C4' energy: -32.494
flat angles C4'-P-C4' energy: -27.616
flat angles P-C4'-P energy: -13.254
tors. eta vs tors. theta energy: -18.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -243.987150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.987150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.987150 (E_RNA)
where:
Base-Base interactions energy: -128.480
where: short stacking energy: -80.670
Base-Backbone interact. energy: -0.524
local terms energy: -114.982710
where:
bonds (distance) C4'-P energy: -34.202
bonds (distance) P-C4' energy: -24.724
flat angles C4'-P-C4' energy: -23.476
flat angles P-C4'-P energy: -20.988
tors. eta vs tors. theta energy: -11.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -199.051532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.051532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.051532 (E_RNA)
where:
Base-Base interactions energy: -95.089
where: short stacking energy: -54.099
Base-Backbone interact. energy: 1.105
local terms energy: -105.067270
where:
bonds (distance) C4'-P energy: -25.115
bonds (distance) P-C4' energy: -26.875
flat angles C4'-P-C4' energy: -22.951
flat angles P-C4'-P energy: -22.047
tors. eta vs tors. theta energy: -8.079
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: 10, replica: 4
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -148.527807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.527807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.527807 (E_RNA)
where:
Base-Base interactions energy: -50.504
where: short stacking energy: -49.172
Base-Backbone interact. energy: -0.905
local terms energy: -97.119640
where:
bonds (distance) C4'-P energy: -29.160
bonds (distance) P-C4' energy: -25.862
flat angles C4'-P-C4' energy: -23.374
flat angles P-C4'-P energy: -18.343
tors. eta vs tors. theta energy: -0.381
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: 1, replica: 2
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -542.408783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.408783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.408783 (E_RNA)
where:
Base-Base interactions energy: -378.434
where: short stacking energy: -160.583
Base-Backbone interact. energy: -0.156
local terms energy: -163.818091
where:
bonds (distance) C4'-P energy: -33.863
bonds (distance) P-C4' energy: -32.059
flat angles C4'-P-C4' energy: -36.524
flat angles P-C4'-P energy: -22.294
tors. eta vs tors. theta energy: -39.077
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: 2, replica: 6
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -540.303767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.303767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.303767 (E_RNA)
where:
Base-Base interactions energy: -364.424
where: short stacking energy: -169.385
Base-Backbone interact. energy: -0.013
local terms energy: -175.866650
where:
bonds (distance) C4'-P energy: -33.628
bonds (distance) P-C4' energy: -29.077
flat angles C4'-P-C4' energy: -36.308
flat angles P-C4'-P energy: -25.546
tors. eta vs tors. theta energy: -51.308
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: 124
Temperature: 1.000000
Total energy: -506.395724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.395724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.395724 (E_RNA)
where:
Base-Base interactions energy: -344.623
where: short stacking energy: -156.196
Base-Backbone interact. energy: -1.353
local terms energy: -160.420103
where:
bonds (distance) C4'-P energy: -30.454
bonds (distance) P-C4' energy: -33.794
flat angles C4'-P-C4' energy: -33.877
flat angles P-C4'-P energy: -22.903
tors. eta vs tors. theta energy: -39.393
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: 4, replica: 1
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -425.073732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.073732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.073732 (E_RNA)
where:
Base-Base interactions energy: -279.689
where: short stacking energy: -117.858
Base-Backbone interact. energy: 0.334
local terms energy: -145.718888
where:
bonds (distance) C4'-P energy: -34.750
bonds (distance) P-C4' energy: -24.357
flat angles C4'-P-C4' energy: -34.970
flat angles P-C4'-P energy: -20.757
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: 5, replica: 5
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -436.465884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.465884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.465884 (E_RNA)
where:
Base-Base interactions energy: -288.506
where: short stacking energy: -135.543
Base-Backbone interact. energy: -0.199
local terms energy: -147.760084
where:
bonds (distance) C4'-P energy: -21.485
bonds (distance) P-C4' energy: -36.475
flat angles C4'-P-C4' energy: -30.525
flat angles P-C4'-P energy: -23.298
tors. eta vs tors. theta energy: -35.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -405.795790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.795790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.795790 (E_RNA)
where:
Base-Base interactions energy: -274.591
where: short stacking energy: -122.470
Base-Backbone interact. energy: -0.591
local terms energy: -130.613224
where:
bonds (distance) C4'-P energy: -26.862
bonds (distance) P-C4' energy: -25.626
flat angles C4'-P-C4' energy: -29.579
flat angles P-C4'-P energy: -16.070
tors. eta vs tors. theta energy: -32.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -336.737539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.737539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.737539 (E_RNA)
where:
Base-Base interactions energy: -210.714
where: short stacking energy: -111.204
Base-Backbone interact. energy: -0.491
local terms energy: -125.532106
where:
bonds (distance) C4'-P energy: -16.942
bonds (distance) P-C4' energy: -29.172
flat angles C4'-P-C4' energy: -29.885
flat angles P-C4'-P energy: -22.145
tors. eta vs tors. theta energy: -27.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -239.559147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.559147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.559147 (E_RNA)
where:
Base-Base interactions energy: -127.979
where: short stacking energy: -72.543
Base-Backbone interact. energy: -1.742
local terms energy: -109.838919
where:
bonds (distance) C4'-P energy: -26.426
bonds (distance) P-C4' energy: -31.714
flat angles C4'-P-C4' energy: -28.293
flat angles P-C4'-P energy: -12.638
tors. eta vs tors. theta energy: -10.768
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: 124
Temperature: 1.300000
Total energy: -202.925574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.925574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.925574 (E_RNA)
where:
Base-Base interactions energy: -100.187
where: short stacking energy: -55.098
Base-Backbone interact. energy: -0.486
local terms energy: -102.252646
where:
bonds (distance) C4'-P energy: -26.479
bonds (distance) P-C4' energy: -26.456
flat angles C4'-P-C4' energy: -22.797
flat angles P-C4'-P energy: -16.178
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: 10, replica: 4
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -153.439654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.439654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.439654 (E_RNA)
where:
Base-Base interactions energy: -60.584
where: short stacking energy: -54.979
Base-Backbone interact. energy: -0.163
local terms energy: -92.691948
where:
bonds (distance) C4'-P energy: -31.913
bonds (distance) P-C4' energy: -24.633
flat angles C4'-P-C4' energy: -21.376
flat angles P-C4'-P energy: -13.698
tors. eta vs tors. theta energy: -1.072
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: 1, replica: 2
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -534.701306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.701306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.701306 (E_RNA)
where:
Base-Base interactions energy: -373.416
where: short stacking energy: -163.684
Base-Backbone interact. energy: -1.049
local terms energy: -160.236870
where:
bonds (distance) C4'-P energy: -25.257
bonds (distance) P-C4' energy: -32.213
flat angles C4'-P-C4' energy: -34.386
flat angles P-C4'-P energy: -26.236
tors. eta vs tors. theta energy: -42.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -528.464552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.464552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.464552 (E_RNA)
where:
Base-Base interactions energy: -364.745
where: short stacking energy: -161.706
Base-Backbone interact. energy: -0.031
local terms energy: -163.688348
where:
bonds (distance) C4'-P energy: -22.215
bonds (distance) P-C4' energy: -30.585
flat angles C4'-P-C4' energy: -36.209
flat angles P-C4'-P energy: -25.646
tors. eta vs tors. theta energy: -49.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -482.837437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.837437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.837437 (E_RNA)
where:
Base-Base interactions energy: -330.487
where: short stacking energy: -142.108
Base-Backbone interact. energy: -1.272
local terms energy: -151.078285
where:
bonds (distance) C4'-P energy: -34.504
bonds (distance) P-C4' energy: -29.117
flat angles C4'-P-C4' energy: -31.749
flat angles P-C4'-P energy: -18.705
tors. eta vs tors. theta energy: -37.004
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: 5
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -459.708429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.708429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.708429 (E_RNA)
where:
Base-Base interactions energy: -310.116
where: short stacking energy: -133.316
Base-Backbone interact. energy: -0.803
local terms energy: -148.789897
where:
bonds (distance) C4'-P energy: -30.308
bonds (distance) P-C4' energy: -34.515
flat angles C4'-P-C4' energy: -29.983
flat angles P-C4'-P energy: -20.043
tors. eta vs tors. theta energy: -33.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -415.755796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.755796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.755796 (E_RNA)
where:
Base-Base interactions energy: -276.205
where: short stacking energy: -120.888
Base-Backbone interact. energy: -1.117
local terms energy: -138.433879
where:
bonds (distance) C4'-P energy: -27.583
bonds (distance) P-C4' energy: -28.729
flat angles C4'-P-C4' energy: -33.915
flat angles P-C4'-P energy: -18.596
tors. eta vs tors. theta energy: -29.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -430.930111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.930111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.930111 (E_RNA)
where:
Base-Base interactions energy: -275.683
where: short stacking energy: -129.002
Base-Backbone interact. energy: -1.188
local terms energy: -154.059022
where:
bonds (distance) C4'-P energy: -27.171
bonds (distance) P-C4' energy: -38.401
flat angles C4'-P-C4' energy: -27.293
flat angles P-C4'-P energy: -26.924
tors. eta vs tors. theta energy: -34.270
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: 7
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -341.465182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.465182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.465182 (E_RNA)
where:
Base-Base interactions energy: -215.381
where: short stacking energy: -115.324
Base-Backbone interact. energy: -0.541
local terms energy: -125.543252
where:
bonds (distance) C4'-P energy: -15.189
bonds (distance) P-C4' energy: -30.977
flat angles C4'-P-C4' energy: -32.199
flat angles P-C4'-P energy: -16.842
tors. eta vs tors. theta energy: -30.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -225.058379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.058379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.058379 (E_RNA)
where:
Base-Base interactions energy: -124.738
where: short stacking energy: -75.725
Base-Backbone interact. energy: 0.232
local terms energy: -100.552497
where:
bonds (distance) C4'-P energy: -19.649
bonds (distance) P-C4' energy: -30.041
flat angles C4'-P-C4' energy: -24.639
flat angles P-C4'-P energy: -15.992
tors. eta vs tors. theta energy: -10.232
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: 9, replica: 9
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -170.230153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.230153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.230153 (E_RNA)
where:
Base-Base interactions energy: -75.956
where: short stacking energy: -63.457
Base-Backbone interact. energy: -0.951
local terms energy: -93.323193
where:
bonds (distance) C4'-P energy: -28.618
bonds (distance) P-C4' energy: -26.800
flat angles C4'-P-C4' energy: -18.144
flat angles P-C4'-P energy: -19.766
tors. eta vs tors. theta energy: 0.005
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: 4
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -157.547857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.547857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.547857 (E_RNA)
where:
Base-Base interactions energy: -61.860
where: short stacking energy: -60.064
Base-Backbone interact. energy: 1.277
local terms energy: -96.965312
where:
bonds (distance) C4'-P energy: -23.927
bonds (distance) P-C4' energy: -24.929
flat angles C4'-P-C4' energy: -22.990
flat angles P-C4'-P energy: -18.960
tors. eta vs tors. theta energy: -6.159
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: 2
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -527.828393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.828393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.828393 (E_RNA)
where:
Base-Base interactions energy: -354.244
where: short stacking energy: -158.277
Base-Backbone interact. energy: -0.438
local terms energy: -173.146427
where:
bonds (distance) C4'-P energy: -32.421
bonds (distance) P-C4' energy: -32.307
flat angles C4'-P-C4' energy: -35.210
flat angles P-C4'-P energy: -26.370
tors. eta vs tors. theta energy: -46.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -530.874021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.874021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.874021 (E_RNA)
where:
Base-Base interactions energy: -353.997
where: short stacking energy: -175.145
Base-Backbone interact. energy: -0.320
local terms energy: -176.557744
where:
bonds (distance) C4'-P energy: -30.114
bonds (distance) P-C4' energy: -32.345
flat angles C4'-P-C4' energy: -35.679
flat angles P-C4'-P energy: -25.323
tors. eta vs tors. theta energy: -53.096
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: 3, replica: 10
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -495.276029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.276029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.276029 (E_RNA)
where:
Base-Base interactions energy: -351.458
where: short stacking energy: -160.703
Base-Backbone interact. energy: 0.029
local terms energy: -143.846908
where:
bonds (distance) C4'-P energy: -23.784
bonds (distance) P-C4' energy: -28.836
flat angles C4'-P-C4' energy: -28.156
flat angles P-C4'-P energy: -25.349
tors. eta vs tors. theta energy: -37.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -449.203294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.203294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.203294 (E_RNA)
where:
Base-Base interactions energy: -308.981
where: short stacking energy: -144.791
Base-Backbone interact. energy: -1.419
local terms energy: -138.803718
where:
bonds (distance) C4'-P energy: -25.298
bonds (distance) P-C4' energy: -32.334
flat angles C4'-P-C4' energy: -26.693
flat angles P-C4'-P energy: -16.357
tors. eta vs tors. theta energy: -38.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -403.876597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.876597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.876597 (E_RNA)
where:
Base-Base interactions energy: -269.404
where: short stacking energy: -104.562
Base-Backbone interact. energy: 1.079
local terms energy: -135.551985
where:
bonds (distance) C4'-P energy: -30.948
bonds (distance) P-C4' energy: -29.914
flat angles C4'-P-C4' energy: -27.926
flat angles P-C4'-P energy: -23.450
tors. eta vs tors. theta energy: -23.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -422.738449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.738449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.738449 (E_RNA)
where:
Base-Base interactions energy: -273.822
where: short stacking energy: -117.088
Base-Backbone interact. energy: -0.565
local terms energy: -148.351148
where:
bonds (distance) C4'-P energy: -30.282
bonds (distance) P-C4' energy: -31.545
flat angles C4'-P-C4' energy: -31.901
flat angles P-C4'-P energy: -22.935
tors. eta vs tors. theta energy: -31.688
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: 7
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -358.604062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.604062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.604062 (E_RNA)
where:
Base-Base interactions energy: -228.592
where: short stacking energy: -117.384
Base-Backbone interact. energy: -0.346
local terms energy: -129.665310
where:
bonds (distance) C4'-P energy: -24.909
bonds (distance) P-C4' energy: -34.355
flat angles C4'-P-C4' energy: -27.016
flat angles P-C4'-P energy: -14.241
tors. eta vs tors. theta energy: -29.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -241.916117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.916117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.916117 (E_RNA)
where:
Base-Base interactions energy: -137.011
where: short stacking energy: -70.355
Base-Backbone interact. energy: -0.070
local terms energy: -104.835076
where:
bonds (distance) C4'-P energy: -25.019
bonds (distance) P-C4' energy: -23.580
flat angles C4'-P-C4' energy: -27.751
flat angles P-C4'-P energy: -18.409
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: 9, replica: 4
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -176.299752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.299752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.299752 (E_RNA)
where:
Base-Base interactions energy: -63.656
where: short stacking energy: -59.632
Base-Backbone interact. energy: -0.107
local terms energy: -112.537080
where:
bonds (distance) C4'-P energy: -30.370
bonds (distance) P-C4' energy: -30.001
flat angles C4'-P-C4' energy: -30.949
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: -9.207
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: 10, replica: 9
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -147.961678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.961678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.961678 (E_RNA)
where:
Base-Base interactions energy: -48.654
where: short stacking energy: -44.196
Base-Backbone interact. energy: 0.830
local terms energy: -100.137893
where:
bonds (distance) C4'-P energy: -30.442
bonds (distance) P-C4' energy: -33.583
flat angles C4'-P-C4' energy: -20.042
flat angles P-C4'-P energy: -18.352
tors. eta vs tors. theta energy: 2.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -538.812326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.812326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.812326 (E_RNA)
where:
Base-Base interactions energy: -372.367
where: short stacking energy: -160.484
Base-Backbone interact. energy: 1.727
local terms energy: -168.172748
where:
bonds (distance) C4'-P energy: -30.591
bonds (distance) P-C4' energy: -33.992
flat angles C4'-P-C4' energy: -31.724
flat angles P-C4'-P energy: -24.039
tors. eta vs tors. theta energy: -47.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -523.460036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.460036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.460036 (E_RNA)
where:
Base-Base interactions energy: -347.308
where: short stacking energy: -168.689
Base-Backbone interact. energy: -0.024
local terms energy: -176.128043
where:
bonds (distance) C4'-P energy: -37.169
bonds (distance) P-C4' energy: -35.704
flat angles C4'-P-C4' energy: -31.009
flat angles P-C4'-P energy: -23.683
tors. eta vs tors. theta energy: -48.563
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: 127
Temperature: 1.000000
Total energy: -513.248274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.248274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.248274 (E_RNA)
where:
Base-Base interactions energy: -348.335
where: short stacking energy: -157.196
Base-Backbone interact. energy: -2.246
local terms energy: -162.668000
where:
bonds (distance) C4'-P energy: -30.074
bonds (distance) P-C4' energy: -32.087
flat angles C4'-P-C4' energy: -35.727
flat angles P-C4'-P energy: -17.690
tors. eta vs tors. theta energy: -47.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -445.155350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.155350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.155350 (E_RNA)
where:
Base-Base interactions energy: -308.085
where: short stacking energy: -127.827
Base-Backbone interact. energy: -0.394
local terms energy: -136.676473
where:
bonds (distance) C4'-P energy: -24.268
bonds (distance) P-C4' energy: -33.568
flat angles C4'-P-C4' energy: -34.910
flat angles P-C4'-P energy: -15.976
tors. eta vs tors. theta energy: -27.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -422.040994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.040994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.040994 (E_RNA)
where:
Base-Base interactions energy: -286.152
where: short stacking energy: -127.060
Base-Backbone interact. energy: -0.339
local terms energy: -135.549835
where:
bonds (distance) C4'-P energy: -28.607
bonds (distance) P-C4' energy: -30.369
flat angles C4'-P-C4' energy: -26.912
flat angles P-C4'-P energy: -15.437
tors. eta vs tors. theta energy: -34.225
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: 6, replica: 3
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -409.665822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.665822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.665822 (E_RNA)
where:
Base-Base interactions energy: -276.220
where: short stacking energy: -126.003
Base-Backbone interact. energy: -0.647
local terms energy: -132.798644
where:
bonds (distance) C4'-P energy: -27.915
bonds (distance) P-C4' energy: -24.591
flat angles C4'-P-C4' energy: -31.779
flat angles P-C4'-P energy: -16.974
tors. eta vs tors. theta energy: -31.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -338.940655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.940655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.940655 (E_RNA)
where:
Base-Base interactions energy: -202.689
where: short stacking energy: -99.805
Base-Backbone interact. energy: -0.333
local terms energy: -135.917851
where:
bonds (distance) C4'-P energy: -34.608
bonds (distance) P-C4' energy: -25.832
flat angles C4'-P-C4' energy: -33.159
flat angles P-C4'-P energy: -19.986
tors. eta vs tors. theta energy: -22.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -251.763760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.763760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.763760 (E_RNA)
where:
Base-Base interactions energy: -142.024
where: short stacking energy: -67.298
Base-Backbone interact. energy: -0.201
local terms energy: -109.538601
where:
bonds (distance) C4'-P energy: -22.860
bonds (distance) P-C4' energy: -26.762
flat angles C4'-P-C4' energy: -32.033
flat angles P-C4'-P energy: -18.398
tors. eta vs tors. theta energy: -9.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -167.353083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.353083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.353083 (E_RNA)
where:
Base-Base interactions energy: -76.481
where: short stacking energy: -54.488
Base-Backbone interact. energy: -3.071
local terms energy: -87.801817
where:
bonds (distance) C4'-P energy: -24.855
bonds (distance) P-C4' energy: -32.368
flat angles C4'-P-C4' energy: -23.093
flat angles P-C4'-P energy: -16.780
tors. eta vs tors. theta energy: 9.295
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: 127
Temperature: 1.350000
Total energy: -143.001555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.001555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.001555 (E_RNA)
where:
Base-Base interactions energy: -49.850
where: short stacking energy: -40.757
Base-Backbone interact. energy: -0.097
local terms energy: -93.054017
where:
bonds (distance) C4'-P energy: -26.883
bonds (distance) P-C4' energy: -24.914
flat angles C4'-P-C4' energy: -24.173
flat angles P-C4'-P energy: -16.669
tors. eta vs tors. theta energy: -0.416
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: 2
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -546.574779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.574779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.574779 (E_RNA)
where:
Base-Base interactions energy: -375.764
where: short stacking energy: -164.409
Base-Backbone interact. energy: -1.003
local terms energy: -169.807050
where:
bonds (distance) C4'-P energy: -29.239
bonds (distance) P-C4' energy: -30.260
flat angles C4'-P-C4' energy: -32.662
flat angles P-C4'-P energy: -28.324
tors. eta vs tors. theta energy: -49.321
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: 6
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -530.859161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.859161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.859161 (E_RNA)
where:
Base-Base interactions energy: -361.156
where: short stacking energy: -180.453
Base-Backbone interact. energy: -0.977
local terms energy: -168.726211
where:
bonds (distance) C4'-P energy: -29.277
bonds (distance) P-C4' energy: -31.486
flat angles C4'-P-C4' energy: -31.263
flat angles P-C4'-P energy: -21.990
tors. eta vs tors. theta energy: -54.710
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: 128
Temperature: 1.000000
Total energy: -503.417346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.417346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.417346 (E_RNA)
where:
Base-Base interactions energy: -344.604
where: short stacking energy: -131.998
Base-Backbone interact. energy: -2.014
local terms energy: -156.799843
where:
bonds (distance) C4'-P energy: -31.174
bonds (distance) P-C4' energy: -34.548
flat angles C4'-P-C4' energy: -31.239
flat angles P-C4'-P energy: -20.099
tors. eta vs tors. theta energy: -39.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -426.079181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.079181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.079181 (E_RNA)
where:
Base-Base interactions energy: -285.521
where: short stacking energy: -121.246
Base-Backbone interact. energy: -0.152
local terms energy: -140.406013
where:
bonds (distance) C4'-P energy: -30.522
bonds (distance) P-C4' energy: -27.062
flat angles C4'-P-C4' energy: -28.151
flat angles P-C4'-P energy: -23.342
tors. eta vs tors. theta energy: -31.329
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: 1
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -425.582028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.582028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.582028 (E_RNA)
where:
Base-Base interactions energy: -297.146
where: short stacking energy: -102.747
Base-Backbone interact. energy: -0.103
local terms energy: -128.332138
where:
bonds (distance) C4'-P energy: -26.616
bonds (distance) P-C4' energy: -32.066
flat angles C4'-P-C4' energy: -23.683
flat angles P-C4'-P energy: -20.718
tors. eta vs tors. theta energy: -25.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -409.006290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.006290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.006290 (E_RNA)
where:
Base-Base interactions energy: -259.713
where: short stacking energy: -116.948
Base-Backbone interact. energy: -0.666
local terms energy: -148.626882
where:
bonds (distance) C4'-P energy: -29.289
bonds (distance) P-C4' energy: -32.810
flat angles C4'-P-C4' energy: -29.806
flat angles P-C4'-P energy: -23.241
tors. eta vs tors. theta energy: -33.481
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: 7
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -370.902226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.902226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.902226 (E_RNA)
where:
Base-Base interactions energy: -239.945
where: short stacking energy: -115.971
Base-Backbone interact. energy: 0.049
local terms energy: -131.006098
where:
bonds (distance) C4'-P energy: -20.413
bonds (distance) P-C4' energy: -29.239
flat angles C4'-P-C4' energy: -30.168
flat angles P-C4'-P energy: -19.697
tors. eta vs tors. theta energy: -31.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -249.969650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.969650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.969650 (E_RNA)
where:
Base-Base interactions energy: -136.768
where: short stacking energy: -78.497
Base-Backbone interact. energy: 3.342
local terms energy: -116.543009
where:
bonds (distance) C4'-P energy: -29.088
bonds (distance) P-C4' energy: -29.929
flat angles C4'-P-C4' energy: -31.598
flat angles P-C4'-P energy: -15.601
tors. eta vs tors. theta energy: -10.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -154.455994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.455994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.455994 (E_RNA)
where:
Base-Base interactions energy: -63.976
where: short stacking energy: -58.931
Base-Backbone interact. energy: -0.966
local terms energy: -89.513848
where:
bonds (distance) C4'-P energy: -18.558
bonds (distance) P-C4' energy: -25.287
flat angles C4'-P-C4' energy: -21.779
flat angles P-C4'-P energy: -21.890
tors. eta vs tors. theta energy: -2.000
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: 4
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -151.558175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.558175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.558175 (E_RNA)
where:
Base-Base interactions energy: -79.424
where: short stacking energy: -49.639
Base-Backbone interact. energy: -0.277
local terms energy: -71.857769
where:
bonds (distance) C4'-P energy: -23.044
bonds (distance) P-C4' energy: -26.347
flat angles C4'-P-C4' energy: -20.626
flat angles P-C4'-P energy: -6.249
tors. eta vs tors. theta energy: 4.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -557.873496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.873496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.873496 (E_RNA)
where:
Base-Base interactions energy: -384.320
where: short stacking energy: -170.534
Base-Backbone interact. energy: -0.716
local terms energy: -172.836875
where:
bonds (distance) C4'-P energy: -32.459
bonds (distance) P-C4' energy: -29.397
flat angles C4'-P-C4' energy: -36.680
flat angles P-C4'-P energy: -26.035
tors. eta vs tors. theta energy: -48.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -514.576466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.576466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.576466 (E_RNA)
where:
Base-Base interactions energy: -348.144
where: short stacking energy: -159.023
Base-Backbone interact. energy: -0.443
local terms energy: -165.989650
where:
bonds (distance) C4'-P energy: -27.253
bonds (distance) P-C4' energy: -32.132
flat angles C4'-P-C4' energy: -34.779
flat angles P-C4'-P energy: -28.707
tors. eta vs tors. theta energy: -43.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -509.621166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.621166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.621166 (E_RNA)
where:
Base-Base interactions energy: -340.855
where: short stacking energy: -142.536
Base-Backbone interact. energy: -1.628
local terms energy: -167.137849
where:
bonds (distance) C4'-P energy: -31.756
bonds (distance) P-C4' energy: -34.425
flat angles C4'-P-C4' energy: -32.008
flat angles P-C4'-P energy: -23.897
tors. eta vs tors. theta energy: -45.052
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: 4, replica: 1
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -443.256056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.256056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.256056 (E_RNA)
where:
Base-Base interactions energy: -292.246
where: short stacking energy: -136.743
Base-Backbone interact. energy: -1.735
local terms energy: -149.275126
where:
bonds (distance) C4'-P energy: -36.288
bonds (distance) P-C4' energy: -28.090
flat angles C4'-P-C4' energy: -33.277
flat angles P-C4'-P energy: -17.391
tors. eta vs tors. theta energy: -34.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -468.652479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.652479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.652479 (E_RNA)
where:
Base-Base interactions energy: -301.860
where: short stacking energy: -152.206
Base-Backbone interact. energy: 0.541
local terms energy: -167.333098
where:
bonds (distance) C4'-P energy: -28.676
bonds (distance) P-C4' energy: -29.595
flat angles C4'-P-C4' energy: -34.280
flat angles P-C4'-P energy: -25.562
tors. eta vs tors. theta energy: -49.221
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: 7
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -399.082891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.082891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.082891 (E_RNA)
where:
Base-Base interactions energy: -264.523
where: short stacking energy: -129.389
Base-Backbone interact. energy: -1.114
local terms energy: -133.445896
where:
bonds (distance) C4'-P energy: -23.519
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -34.412
flat angles P-C4'-P energy: -22.129
tors. eta vs tors. theta energy: -37.337
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: 7, replica: 3
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -422.957669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.957669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.957669 (E_RNA)
where:
Base-Base interactions energy: -271.926
where: short stacking energy: -114.119
Base-Backbone interact. energy: -1.896
local terms energy: -149.135202
where:
bonds (distance) C4'-P energy: -39.033
bonds (distance) P-C4' energy: -25.581
flat angles C4'-P-C4' energy: -27.698
flat angles P-C4'-P energy: -19.629
tors. eta vs tors. theta energy: -37.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -221.941996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.941996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.941996 (E_RNA)
where:
Base-Base interactions energy: -114.965
where: short stacking energy: -70.027
Base-Backbone interact. energy: -0.749
local terms energy: -106.227525
where:
bonds (distance) C4'-P energy: -22.750
bonds (distance) P-C4' energy: -29.904
flat angles C4'-P-C4' energy: -23.346
flat angles P-C4'-P energy: -22.271
tors. eta vs tors. theta energy: -7.958
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: 9
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -164.743996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.743996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.743996 (E_RNA)
where:
Base-Base interactions energy: -71.356
where: short stacking energy: -71.556
Base-Backbone interact. energy: -0.825
local terms energy: -92.563149
where:
bonds (distance) C4'-P energy: -22.273
bonds (distance) P-C4' energy: -25.123
flat angles C4'-P-C4' energy: -29.140
flat angles P-C4'-P energy: -11.972
tors. eta vs tors. theta energy: -4.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -179.107770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.107770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.107770 (E_RNA)
where:
Base-Base interactions energy: -73.044
where: short stacking energy: -51.813
Base-Backbone interact. energy: -0.323
local terms energy: -105.740714
where:
bonds (distance) C4'-P energy: -26.927
bonds (distance) P-C4' energy: -33.467
flat angles C4'-P-C4' energy: -25.386
flat angles P-C4'-P energy: -14.288
tors. eta vs tors. theta energy: -5.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -536.516068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.516068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.516068 (E_RNA)
where:
Base-Base interactions energy: -368.563
where: short stacking energy: -166.945
Base-Backbone interact. energy: -1.332
local terms energy: -166.620562
where:
bonds (distance) C4'-P energy: -25.387
bonds (distance) P-C4' energy: -27.570
flat angles C4'-P-C4' energy: -41.282
flat angles P-C4'-P energy: -24.801
tors. eta vs tors. theta energy: -47.581
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: 6
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -524.109107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.109107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.109107 (E_RNA)
where:
Base-Base interactions energy: -344.275
where: short stacking energy: -162.027
Base-Backbone interact. energy: -0.331
local terms energy: -179.502546
where:
bonds (distance) C4'-P energy: -35.119
bonds (distance) P-C4' energy: -29.863
flat angles C4'-P-C4' energy: -39.915
flat angles P-C4'-P energy: -26.317
tors. eta vs tors. theta energy: -48.288
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: 10
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -509.255145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.255145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.255145 (E_RNA)
where:
Base-Base interactions energy: -345.498
where: short stacking energy: -139.934
Base-Backbone interact. energy: -0.163
local terms energy: -163.593579
where:
bonds (distance) C4'-P energy: -32.883
bonds (distance) P-C4' energy: -32.790
flat angles C4'-P-C4' energy: -34.497
flat angles P-C4'-P energy: -24.047
tors. eta vs tors. theta energy: -39.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -452.350498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.350498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.350498 (E_RNA)
where:
Base-Base interactions energy: -300.763
where: short stacking energy: -139.424
Base-Backbone interact. energy: 0.018
local terms energy: -151.605275
where:
bonds (distance) C4'-P energy: -25.283
bonds (distance) P-C4' energy: -30.337
flat angles C4'-P-C4' energy: -31.920
flat angles P-C4'-P energy: -17.667
tors. eta vs tors. theta energy: -46.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -445.372882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.372882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.372882 (E_RNA)
where:
Base-Base interactions energy: -281.295
where: short stacking energy: -139.023
Base-Backbone interact. energy: -0.683
local terms energy: -163.395175
where:
bonds (distance) C4'-P energy: -27.868
bonds (distance) P-C4' energy: -30.301
flat angles C4'-P-C4' energy: -36.439
flat angles P-C4'-P energy: -25.118
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: 6, replica: 7
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -430.721587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.721587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.721587 (E_RNA)
where:
Base-Base interactions energy: -276.999
where: short stacking energy: -128.192
Base-Backbone interact. energy: -0.727
local terms energy: -152.995482
where:
bonds (distance) C4'-P energy: -30.958
bonds (distance) P-C4' energy: -27.786
flat angles C4'-P-C4' energy: -35.433
flat angles P-C4'-P energy: -19.591
tors. eta vs tors. theta energy: -39.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -371.320584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.320584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.320584 (E_RNA)
where:
Base-Base interactions energy: -248.983
where: short stacking energy: -113.238
Base-Backbone interact. energy: -0.682
local terms energy: -121.655468
where:
bonds (distance) C4'-P energy: -25.119
bonds (distance) P-C4' energy: -23.990
flat angles C4'-P-C4' energy: -31.045
flat angles P-C4'-P energy: -16.307
tors. eta vs tors. theta energy: -25.194
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: 8, replica: 8
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -250.821143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.821143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.821143 (E_RNA)
where:
Base-Base interactions energy: -135.416
where: short stacking energy: -82.395
Base-Backbone interact. energy: -0.630
local terms energy: -114.775435
where:
bonds (distance) C4'-P energy: -25.515
bonds (distance) P-C4' energy: -28.716
flat angles C4'-P-C4' energy: -32.941
flat angles P-C4'-P energy: -16.881
tors. eta vs tors. theta energy: -10.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -156.521587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.521587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.521587 (E_RNA)
where:
Base-Base interactions energy: -53.120
where: short stacking energy: -53.120
Base-Backbone interact. energy: -0.347
local terms energy: -103.054569
where:
bonds (distance) C4'-P energy: -26.838
bonds (distance) P-C4' energy: -26.292
flat angles C4'-P-C4' energy: -32.113
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -5.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -168.944569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.944569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.944569 (E_RNA)
where:
Base-Base interactions energy: -72.111
where: short stacking energy: -70.146
Base-Backbone interact. energy: -1.638
local terms energy: -95.195600
where:
bonds (distance) C4'-P energy: -18.733
bonds (distance) P-C4' energy: -30.867
flat angles C4'-P-C4' energy: -24.747
flat angles P-C4'-P energy: -11.907
tors. eta vs tors. theta energy: -8.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -537.886309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.886309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.886309 (E_RNA)
where:
Base-Base interactions energy: -376.635
where: short stacking energy: -168.425
Base-Backbone interact. energy: -0.341
local terms energy: -160.910062
where:
bonds (distance) C4'-P energy: -37.485
bonds (distance) P-C4' energy: -27.855
flat angles C4'-P-C4' energy: -31.077
flat angles P-C4'-P energy: -15.871
tors. eta vs tors. theta energy: -48.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -511.612130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.612130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.612130 (E_RNA)
where:
Base-Base interactions energy: -350.587
where: short stacking energy: -164.751
Base-Backbone interact. energy: -0.014
local terms energy: -161.010875
where:
bonds (distance) C4'-P energy: -25.706
bonds (distance) P-C4' energy: -31.546
flat angles C4'-P-C4' energy: -33.300
flat angles P-C4'-P energy: -22.579
tors. eta vs tors. theta energy: -47.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -481.316155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.316155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.316155 (E_RNA)
where:
Base-Base interactions energy: -321.930
where: short stacking energy: -128.693
Base-Backbone interact. energy: -1.179
local terms energy: -158.206601
where:
bonds (distance) C4'-P energy: -33.523
bonds (distance) P-C4' energy: -30.502
flat angles C4'-P-C4' energy: -37.620
flat angles P-C4'-P energy: -22.117
tors. eta vs tors. theta energy: -34.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -462.565533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.565533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.565533 (E_RNA)
where:
Base-Base interactions energy: -309.875
where: short stacking energy: -142.249
Base-Backbone interact. energy: 5.226
local terms energy: -157.916827
where:
bonds (distance) C4'-P energy: -30.585
bonds (distance) P-C4' energy: -36.956
flat angles C4'-P-C4' energy: -30.767
flat angles P-C4'-P energy: -22.710
tors. eta vs tors. theta energy: -36.900
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: 1
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -428.919761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.919761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.919761 (E_RNA)
where:
Base-Base interactions energy: -291.496
where: short stacking energy: -150.575
Base-Backbone interact. energy: -0.091
local terms energy: -137.333056
where:
bonds (distance) C4'-P energy: -30.785
bonds (distance) P-C4' energy: -33.850
flat angles C4'-P-C4' energy: -23.165
flat angles P-C4'-P energy: -13.207
tors. eta vs tors. theta energy: -36.325
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: 7
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -427.072878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.072878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.072878 (E_RNA)
where:
Base-Base interactions energy: -274.790
where: short stacking energy: -125.384
Base-Backbone interact. energy: -1.010
local terms energy: -151.273428
where:
bonds (distance) C4'-P energy: -28.543
bonds (distance) P-C4' energy: -34.169
flat angles C4'-P-C4' energy: -33.107
flat angles P-C4'-P energy: -20.217
tors. eta vs tors. theta energy: -35.238
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: 3
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -381.950513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.950513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.950513 (E_RNA)
where:
Base-Base interactions energy: -259.699
where: short stacking energy: -120.479
Base-Backbone interact. energy: -0.210
local terms energy: -122.041314
where:
bonds (distance) C4'-P energy: -26.293
bonds (distance) P-C4' energy: -23.180
flat angles C4'-P-C4' energy: -27.781
flat angles P-C4'-P energy: -15.487
tors. eta vs tors. theta energy: -29.299
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: 8
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -254.069006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.069006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.069006 (E_RNA)
where:
Base-Base interactions energy: -142.645
where: short stacking energy: -74.529
Base-Backbone interact. energy: -0.545
local terms energy: -110.879707
where:
bonds (distance) C4'-P energy: -26.263
bonds (distance) P-C4' energy: -31.440
flat angles C4'-P-C4' energy: -31.433
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -10.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -163.747207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.747207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.747207 (E_RNA)
where:
Base-Base interactions energy: -58.455
where: short stacking energy: -57.844
Base-Backbone interact. energy: 0.486
local terms energy: -105.778536
where:
bonds (distance) C4'-P energy: -29.327
bonds (distance) P-C4' energy: -27.343
flat angles C4'-P-C4' energy: -24.073
flat angles P-C4'-P energy: -13.886
tors. eta vs tors. theta energy: -11.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -148.856433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.856433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.856433 (E_RNA)
where:
Base-Base interactions energy: -43.771
where: short stacking energy: -43.871
Base-Backbone interact. energy: 1.100
local terms energy: -106.186028
where:
bonds (distance) C4'-P energy: -31.593
bonds (distance) P-C4' energy: -30.008
flat angles C4'-P-C4' energy: -22.618
flat angles P-C4'-P energy: -12.873
tors. eta vs tors. theta energy: -9.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -541.782262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.782262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.782262 (E_RNA)
where:
Base-Base interactions energy: -376.928
where: short stacking energy: -155.140
Base-Backbone interact. energy: -1.472
local terms energy: -163.382383
where:
bonds (distance) C4'-P energy: -27.518
bonds (distance) P-C4' energy: -33.110
flat angles C4'-P-C4' energy: -34.170
flat angles P-C4'-P energy: -20.773
tors. eta vs tors. theta energy: -47.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -531.130944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.130944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.130944 (E_RNA)
where:
Base-Base interactions energy: -346.769
where: short stacking energy: -157.455
Base-Backbone interact. energy: -0.109
local terms energy: -184.252636
where:
bonds (distance) C4'-P energy: -34.626
bonds (distance) P-C4' energy: -35.786
flat angles C4'-P-C4' energy: -37.283
flat angles P-C4'-P energy: -24.301
tors. eta vs tors. theta energy: -52.257
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: 10
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -494.908427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.908427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.908427 (E_RNA)
where:
Base-Base interactions energy: -336.640
where: short stacking energy: -147.612
Base-Backbone interact. energy: 1.065
local terms energy: -159.333196
where:
bonds (distance) C4'-P energy: -32.037
bonds (distance) P-C4' energy: -33.875
flat angles C4'-P-C4' energy: -35.360
flat angles P-C4'-P energy: -22.427
tors. eta vs tors. theta energy: -35.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -451.324978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.324978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.324978 (E_RNA)
where:
Base-Base interactions energy: -309.711
where: short stacking energy: -134.349
Base-Backbone interact. energy: -0.667
local terms energy: -140.947443
where:
bonds (distance) C4'-P energy: -28.710
bonds (distance) P-C4' energy: -26.048
flat angles C4'-P-C4' energy: -33.770
flat angles P-C4'-P energy: -17.966
tors. eta vs tors. theta energy: -34.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -456.230782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.230782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.230782 (E_RNA)
where:
Base-Base interactions energy: -290.751
where: short stacking energy: -141.819
Base-Backbone interact. energy: 0.044
local terms energy: -165.523207
where:
bonds (distance) C4'-P energy: -27.396
bonds (distance) P-C4' energy: -29.813
flat angles C4'-P-C4' energy: -36.387
flat angles P-C4'-P energy: -29.701
tors. eta vs tors. theta energy: -42.225
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: 6, replica: 1
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -436.026142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.026142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.026142 (E_RNA)
where:
Base-Base interactions energy: -291.481
where: short stacking energy: -149.323
Base-Backbone interact. energy: -0.103
local terms energy: -144.441412
where:
bonds (distance) C4'-P energy: -26.142
bonds (distance) P-C4' energy: -23.142
flat angles C4'-P-C4' energy: -30.309
flat angles P-C4'-P energy: -24.224
tors. eta vs tors. theta energy: -40.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -385.024308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.024308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.024308 (E_RNA)
where:
Base-Base interactions energy: -244.531
where: short stacking energy: -111.200
Base-Backbone interact. energy: -0.398
local terms energy: -140.094741
where:
bonds (distance) C4'-P energy: -27.283
bonds (distance) P-C4' energy: -31.258
flat angles C4'-P-C4' energy: -27.317
flat angles P-C4'-P energy: -21.190
tors. eta vs tors. theta energy: -33.047
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: 8
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -213.095364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.095364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.095364 (E_RNA)
where:
Base-Base interactions energy: -118.273
where: short stacking energy: -60.523
Base-Backbone interact. energy: 1.827
local terms energy: -96.649084
where:
bonds (distance) C4'-P energy: -27.810
bonds (distance) P-C4' energy: -18.666
flat angles C4'-P-C4' energy: -25.392
flat angles P-C4'-P energy: -22.680
tors. eta vs tors. theta energy: -2.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -152.882705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.882705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.882705 (E_RNA)
where:
Base-Base interactions energy: -55.574
where: short stacking energy: -51.550
Base-Backbone interact. energy: -1.027
local terms energy: -96.281407
where:
bonds (distance) C4'-P energy: -24.999
bonds (distance) P-C4' energy: -28.014
flat angles C4'-P-C4' energy: -25.829
flat angles P-C4'-P energy: -19.021
tors. eta vs tors. theta energy: 1.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -152.412654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.412654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.412654 (E_RNA)
where:
Base-Base interactions energy: -55.171
where: short stacking energy: -38.901
Base-Backbone interact. energy: 0.045
local terms energy: -97.286327
where:
bonds (distance) C4'-P energy: -31.937
bonds (distance) P-C4' energy: -30.478
flat angles C4'-P-C4' energy: -21.245
flat angles P-C4'-P energy: -16.759
tors. eta vs tors. theta energy: 3.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -539.204711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.204711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.204711 (E_RNA)
where:
Base-Base interactions energy: -374.513
where: short stacking energy: -158.176
Base-Backbone interact. energy: -1.717
local terms energy: -162.974646
where:
bonds (distance) C4'-P energy: -26.849
bonds (distance) P-C4' energy: -32.316
flat angles C4'-P-C4' energy: -35.884
flat angles P-C4'-P energy: -22.282
tors. eta vs tors. theta energy: -45.644
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: 6
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -527.986864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.986864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.986864 (E_RNA)
where:
Base-Base interactions energy: -362.060
where: short stacking energy: -166.744
Base-Backbone interact. energy: -0.259
local terms energy: -165.667993
where:
bonds (distance) C4'-P energy: -29.472
bonds (distance) P-C4' energy: -30.072
flat angles C4'-P-C4' energy: -36.191
flat angles P-C4'-P energy: -19.438
tors. eta vs tors. theta energy: -50.495
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: 133
Temperature: 1.000000
Total energy: -505.625221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.625221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.625221 (E_RNA)
where:
Base-Base interactions energy: -345.520
where: short stacking energy: -148.639
Base-Backbone interact. energy: -0.969
local terms energy: -159.136289
where:
bonds (distance) C4'-P energy: -27.763
bonds (distance) P-C4' energy: -33.540
flat angles C4'-P-C4' energy: -37.474
flat angles P-C4'-P energy: -20.613
tors. eta vs tors. theta energy: -39.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -448.977342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.977342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.977342 (E_RNA)
where:
Base-Base interactions energy: -292.638
where: short stacking energy: -135.871
Base-Backbone interact. energy: -0.388
local terms energy: -155.950448
where:
bonds (distance) C4'-P energy: -28.828
bonds (distance) P-C4' energy: -30.813
flat angles C4'-P-C4' energy: -35.699
flat angles P-C4'-P energy: -24.734
tors. eta vs tors. theta energy: -35.877
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: 7
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -439.012806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.012806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.012806 (E_RNA)
where:
Base-Base interactions energy: -281.948
where: short stacking energy: -144.322
Base-Backbone interact. energy: -1.184
local terms energy: -155.880408
where:
bonds (distance) C4'-P energy: -32.279
bonds (distance) P-C4' energy: -29.342
flat angles C4'-P-C4' energy: -31.006
flat angles P-C4'-P energy: -22.305
tors. eta vs tors. theta energy: -40.949
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: 6, replica: 1
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -424.432666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.432666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.432666 (E_RNA)
where:
Base-Base interactions energy: -284.156
where: short stacking energy: -142.790
Base-Backbone interact. energy: -1.962
local terms energy: -138.314971
where:
bonds (distance) C4'-P energy: -21.756
bonds (distance) P-C4' energy: -25.690
flat angles C4'-P-C4' energy: -29.075
flat angles P-C4'-P energy: -21.186
tors. eta vs tors. theta energy: -40.609
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: 7, replica: 3
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -388.067740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.067740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.067740 (E_RNA)
where:
Base-Base interactions energy: -248.708
where: short stacking energy: -114.768
Base-Backbone interact. energy: 2.595
local terms energy: -141.955072
where:
bonds (distance) C4'-P energy: -29.584
bonds (distance) P-C4' energy: -32.732
flat angles C4'-P-C4' energy: -30.028
flat angles P-C4'-P energy: -18.952
tors. eta vs tors. theta energy: -30.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -261.220349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.220349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.220349 (E_RNA)
where:
Base-Base interactions energy: -149.763
where: short stacking energy: -76.709
Base-Backbone interact. energy: -0.712
local terms energy: -110.745436
where:
bonds (distance) C4'-P energy: -24.507
bonds (distance) P-C4' energy: -32.892
flat angles C4'-P-C4' energy: -30.235
flat angles P-C4'-P energy: -16.514
tors. eta vs tors. theta energy: -6.597
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: 9
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -173.277213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.277213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.277213 (E_RNA)
where:
Base-Base interactions energy: -75.832
where: short stacking energy: -54.508
Base-Backbone interact. energy: -0.073
local terms energy: -97.372018
where:
bonds (distance) C4'-P energy: -31.059
bonds (distance) P-C4' energy: -28.488
flat angles C4'-P-C4' energy: -20.220
flat angles P-C4'-P energy: -21.079
tors. eta vs tors. theta energy: 3.474
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: 4
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -150.948231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.948231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.948231 (E_RNA)
where:
Base-Base interactions energy: -55.271
where: short stacking energy: -51.382
Base-Backbone interact. energy: -0.367
local terms energy: -95.309917
where:
bonds (distance) C4'-P energy: -27.543
bonds (distance) P-C4' energy: -23.416
flat angles C4'-P-C4' energy: -29.200
flat angles P-C4'-P energy: -7.167
tors. eta vs tors. theta energy: -7.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -539.009138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.009138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.009138 (E_RNA)
where:
Base-Base interactions energy: -360.502
where: short stacking energy: -171.162
Base-Backbone interact. energy: -0.170
local terms energy: -178.336765
where:
bonds (distance) C4'-P energy: -31.573
bonds (distance) P-C4' energy: -32.385
flat angles C4'-P-C4' energy: -34.810
flat angles P-C4'-P energy: -26.665
tors. eta vs tors. theta energy: -52.904
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: 2
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -520.487054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.487054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.487054 (E_RNA)
where:
Base-Base interactions energy: -351.202
where: short stacking energy: -157.886
Base-Backbone interact. energy: -0.660
local terms energy: -168.624560
where:
bonds (distance) C4'-P energy: -32.599
bonds (distance) P-C4' energy: -27.542
flat angles C4'-P-C4' energy: -36.496
flat angles P-C4'-P energy: -25.609
tors. eta vs tors. theta energy: -46.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -507.090617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.090617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.090617 (E_RNA)
where:
Base-Base interactions energy: -345.490
where: short stacking energy: -159.247
Base-Backbone interact. energy: -0.103
local terms energy: -161.497155
where:
bonds (distance) C4'-P energy: -31.021
bonds (distance) P-C4' energy: -26.868
flat angles C4'-P-C4' energy: -35.799
flat angles P-C4'-P energy: -19.702
tors. eta vs tors. theta energy: -48.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -450.525083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.525083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.525083 (E_RNA)
where:
Base-Base interactions energy: -309.813
where: short stacking energy: -137.390
Base-Backbone interact. energy: -1.575
local terms energy: -139.137402
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -31.098
flat angles C4'-P-C4' energy: -30.183
flat angles P-C4'-P energy: -19.189
tors. eta vs tors. theta energy: -42.395
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: 5, replica: 1
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -451.876622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.876622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.876622 (E_RNA)
where:
Base-Base interactions energy: -306.149
where: short stacking energy: -145.259
Base-Backbone interact. energy: 1.854
local terms energy: -147.581264
where:
bonds (distance) C4'-P energy: -28.754
bonds (distance) P-C4' energy: -30.566
flat angles C4'-P-C4' energy: -34.272
flat angles P-C4'-P energy: -17.377
tors. eta vs tors. theta energy: -36.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -431.009378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.009378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.009378 (E_RNA)
where:
Base-Base interactions energy: -285.540
where: short stacking energy: -132.642
Base-Backbone interact. energy: -0.320
local terms energy: -145.149434
where:
bonds (distance) C4'-P energy: -22.595
bonds (distance) P-C4' energy: -31.004
flat angles C4'-P-C4' energy: -30.407
flat angles P-C4'-P energy: -22.920
tors. eta vs tors. theta energy: -38.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -385.386932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.386932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.386932 (E_RNA)
where:
Base-Base interactions energy: -255.402
where: short stacking energy: -114.927
Base-Backbone interact. energy: -1.051
local terms energy: -128.933882
where:
bonds (distance) C4'-P energy: -20.236
bonds (distance) P-C4' energy: -27.168
flat angles C4'-P-C4' energy: -27.184
flat angles P-C4'-P energy: -20.931
tors. eta vs tors. theta energy: -33.415
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: 8
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -255.345843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.345843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.345843 (E_RNA)
where:
Base-Base interactions energy: -146.354
where: short stacking energy: -91.911
Base-Backbone interact. energy: 0.850
local terms energy: -109.841773
where:
bonds (distance) C4'-P energy: -25.765
bonds (distance) P-C4' energy: -26.765
flat angles C4'-P-C4' energy: -31.021
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -16.513
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: 4
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -156.604637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.604637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.604637 (E_RNA)
where:
Base-Base interactions energy: -50.793
where: short stacking energy: -50.793
Base-Backbone interact. energy: -0.297
local terms energy: -105.514510
where:
bonds (distance) C4'-P energy: -20.845
bonds (distance) P-C4' energy: -34.161
flat angles C4'-P-C4' energy: -31.094
flat angles P-C4'-P energy: -21.011
tors. eta vs tors. theta energy: 1.596
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: 9
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -155.304030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.304030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.304030 (E_RNA)
where:
Base-Base interactions energy: -66.334
where: short stacking energy: -51.864
Base-Backbone interact. energy: 0.674
local terms energy: -89.644515
where:
bonds (distance) C4'-P energy: -20.708
bonds (distance) P-C4' energy: -28.241
flat angles C4'-P-C4' energy: -17.676
flat angles P-C4'-P energy: -17.594
tors. eta vs tors. theta energy: -5.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -536.230292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.230292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.230292 (E_RNA)
where:
Base-Base interactions energy: -367.018
where: short stacking energy: -171.822
Base-Backbone interact. energy: -0.401
local terms energy: -168.812071
where:
bonds (distance) C4'-P energy: -29.621
bonds (distance) P-C4' energy: -29.829
flat angles C4'-P-C4' energy: -39.256
flat angles P-C4'-P energy: -18.878
tors. eta vs tors. theta energy: -51.228
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: 2, replica: 10
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -519.635980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.635980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.635980 (E_RNA)
where:
Base-Base interactions energy: -358.775
where: short stacking energy: -167.204
Base-Backbone interact. energy: -0.525
local terms energy: -160.336131
where:
bonds (distance) C4'-P energy: -27.927
bonds (distance) P-C4' energy: -30.682
flat angles C4'-P-C4' energy: -36.004
flat angles P-C4'-P energy: -20.202
tors. eta vs tors. theta energy: -45.520
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: 3, replica: 2
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -505.273616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.273616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.273616 (E_RNA)
where:
Base-Base interactions energy: -335.715
where: short stacking energy: -149.552
Base-Backbone interact. energy: 0.225
local terms energy: -169.784417
where:
bonds (distance) C4'-P energy: -29.708
bonds (distance) P-C4' energy: -28.808
flat angles C4'-P-C4' energy: -36.673
flat angles P-C4'-P energy: -29.479
tors. eta vs tors. theta energy: -45.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -453.228805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.228805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.228805 (E_RNA)
where:
Base-Base interactions energy: -297.497
where: short stacking energy: -148.279
Base-Backbone interact. energy: 1.746
local terms energy: -157.477359
where:
bonds (distance) C4'-P energy: -24.003
bonds (distance) P-C4' energy: -36.180
flat angles C4'-P-C4' energy: -32.253
flat angles P-C4'-P energy: -23.945
tors. eta vs tors. theta energy: -41.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -424.964162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.964162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.964162 (E_RNA)
where:
Base-Base interactions energy: -285.706
where: short stacking energy: -126.251
Base-Backbone interact. energy: 1.145
local terms energy: -140.403395
where:
bonds (distance) C4'-P energy: -24.635
bonds (distance) P-C4' energy: -27.871
flat angles C4'-P-C4' energy: -33.968
flat angles P-C4'-P energy: -16.351
tors. eta vs tors. theta energy: -37.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -392.797059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.797059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.797059 (E_RNA)
where:
Base-Base interactions energy: -257.351
where: short stacking energy: -119.528
Base-Backbone interact. energy: -0.445
local terms energy: -135.001062
where:
bonds (distance) C4'-P energy: -27.931
bonds (distance) P-C4' energy: -34.026
flat angles C4'-P-C4' energy: -24.214
flat angles P-C4'-P energy: -21.098
tors. eta vs tors. theta energy: -27.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -413.031867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.031867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.031867 (E_RNA)
where:
Base-Base interactions energy: -272.087
where: short stacking energy: -122.416
Base-Backbone interact. energy: -0.507
local terms energy: -140.437871
where:
bonds (distance) C4'-P energy: -34.184
bonds (distance) P-C4' energy: -30.353
flat angles C4'-P-C4' energy: -26.850
flat angles P-C4'-P energy: -16.464
tors. eta vs tors. theta energy: -32.588
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: 8, replica: 8
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -257.455572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.455572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.455572 (E_RNA)
where:
Base-Base interactions energy: -138.645
where: short stacking energy: -82.367
Base-Backbone interact. energy: -0.233
local terms energy: -118.577032
where:
bonds (distance) C4'-P energy: -31.369
bonds (distance) P-C4' energy: -26.966
flat angles C4'-P-C4' energy: -30.240
flat angles P-C4'-P energy: -14.883
tors. eta vs tors. theta energy: -15.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -178.150973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.150973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.150973 (E_RNA)
where:
Base-Base interactions energy: -75.873
where: short stacking energy: -74.635
Base-Backbone interact. energy: 2.269
local terms energy: -104.546819
where:
bonds (distance) C4'-P energy: -19.567
bonds (distance) P-C4' energy: -37.227
flat angles C4'-P-C4' energy: -25.698
flat angles P-C4'-P energy: -14.671
tors. eta vs tors. theta energy: -7.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -150.513433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.513433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.513433 (E_RNA)
where:
Base-Base interactions energy: -62.649
where: short stacking energy: -44.235
Base-Backbone interact. energy: -0.707
local terms energy: -87.156579
where:
bonds (distance) C4'-P energy: -26.806
bonds (distance) P-C4' energy: -29.926
flat angles C4'-P-C4' energy: -21.290
flat angles P-C4'-P energy: -14.618
tors. eta vs tors. theta energy: 5.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -540.141723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.141723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.141723 (E_RNA)
where:
Base-Base interactions energy: -368.604
where: short stacking energy: -168.622
Base-Backbone interact. energy: -0.012
local terms energy: -171.525729
where:
bonds (distance) C4'-P energy: -33.816
bonds (distance) P-C4' energy: -32.649
flat angles C4'-P-C4' energy: -31.822
flat angles P-C4'-P energy: -24.325
tors. eta vs tors. theta energy: -48.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -509.842861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.842861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.842861 (E_RNA)
where:
Base-Base interactions energy: -346.841
where: short stacking energy: -159.795
Base-Backbone interact. energy: -1.555
local terms energy: -161.447474
where:
bonds (distance) C4'-P energy: -28.715
bonds (distance) P-C4' energy: -32.070
flat angles C4'-P-C4' energy: -34.944
flat angles P-C4'-P energy: -21.701
tors. eta vs tors. theta energy: -44.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -464.111934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.111934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.111934 (E_RNA)
where:
Base-Base interactions energy: -311.237
where: short stacking energy: -146.672
Base-Backbone interact. energy: -1.238
local terms energy: -151.637220
where:
bonds (distance) C4'-P energy: -28.973
bonds (distance) P-C4' energy: -21.793
flat angles C4'-P-C4' energy: -31.672
flat angles P-C4'-P energy: -25.622
tors. eta vs tors. theta energy: -43.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -495.388578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.388578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.388578 (E_RNA)
where:
Base-Base interactions energy: -338.611
where: short stacking energy: -138.343
Base-Backbone interact. energy: 0.797
local terms energy: -157.574539
where:
bonds (distance) C4'-P energy: -32.371
bonds (distance) P-C4' energy: -24.840
flat angles C4'-P-C4' energy: -32.198
flat angles P-C4'-P energy: -24.602
tors. eta vs tors. theta energy: -43.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -431.654516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.654516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.654516 (E_RNA)
where:
Base-Base interactions energy: -293.372
where: short stacking energy: -129.619
Base-Backbone interact. energy: -0.803
local terms energy: -137.479902
where:
bonds (distance) C4'-P energy: -30.191
bonds (distance) P-C4' energy: -29.649
flat angles C4'-P-C4' energy: -33.293
flat angles P-C4'-P energy: -14.741
tors. eta vs tors. theta energy: -29.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -401.074793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.074793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.074793 (E_RNA)
where:
Base-Base interactions energy: -265.517
where: short stacking energy: -115.165
Base-Backbone interact. energy: -1.774
local terms energy: -133.783515
where:
bonds (distance) C4'-P energy: -24.307
bonds (distance) P-C4' energy: -23.367
flat angles C4'-P-C4' energy: -32.912
flat angles P-C4'-P energy: -22.973
tors. eta vs tors. theta energy: -30.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -400.275433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.275433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.275433 (E_RNA)
where:
Base-Base interactions energy: -266.129
where: short stacking energy: -128.132
Base-Backbone interact. energy: -0.008
local terms energy: -134.137988
where:
bonds (distance) C4'-P energy: -21.702
bonds (distance) P-C4' energy: -34.429
flat angles C4'-P-C4' energy: -30.910
flat angles P-C4'-P energy: -17.095
tors. eta vs tors. theta energy: -30.002
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: 8
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -256.386070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.386070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.386070 (E_RNA)
where:
Base-Base interactions energy: -144.260
where: short stacking energy: -81.842
Base-Backbone interact. energy: -1.351
local terms energy: -110.775299
where:
bonds (distance) C4'-P energy: -30.501
bonds (distance) P-C4' energy: -28.142
flat angles C4'-P-C4' energy: -19.383
flat angles P-C4'-P energy: -14.449
tors. eta vs tors. theta energy: -18.300
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: 9
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -164.296297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.296297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.296297 (E_RNA)
where:
Base-Base interactions energy: -62.770
where: short stacking energy: -44.803
Base-Backbone interact. energy: -0.155
local terms energy: -101.371032
where:
bonds (distance) C4'-P energy: -30.403
bonds (distance) P-C4' energy: -26.868
flat angles C4'-P-C4' energy: -26.116
flat angles P-C4'-P energy: -17.684
tors. eta vs tors. theta energy: -0.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -167.629512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.629512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.629512 (E_RNA)
where:
Base-Base interactions energy: -86.493
where: short stacking energy: -59.599
Base-Backbone interact. energy: -0.744
local terms energy: -80.391969
where:
bonds (distance) C4'-P energy: -17.069
bonds (distance) P-C4' energy: -28.637
flat angles C4'-P-C4' energy: -23.774
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -1.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -540.885361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.885361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.885361 (E_RNA)
where:
Base-Base interactions energy: -362.779
where: short stacking energy: -162.389
Base-Backbone interact. energy: -0.010
local terms energy: -178.096342
where:
bonds (distance) C4'-P energy: -28.186
bonds (distance) P-C4' energy: -32.512
flat angles C4'-P-C4' energy: -37.827
flat angles P-C4'-P energy: -29.689
tors. eta vs tors. theta energy: -49.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -521.616375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.616375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.616375 (E_RNA)
where:
Base-Base interactions energy: -351.722
where: short stacking energy: -157.298
Base-Backbone interact. energy: -0.334
local terms energy: -169.560201
where:
bonds (distance) C4'-P energy: -30.694
bonds (distance) P-C4' energy: -30.046
flat angles C4'-P-C4' energy: -37.022
flat angles P-C4'-P energy: -26.070
tors. eta vs tors. theta energy: -45.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -476.580496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.580496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.580496 (E_RNA)
where:
Base-Base interactions energy: -302.165
where: short stacking energy: -146.619
Base-Backbone interact. energy: -0.464
local terms energy: -173.951163
where:
bonds (distance) C4'-P energy: -34.560
bonds (distance) P-C4' energy: -33.920
flat angles C4'-P-C4' energy: -35.940
flat angles P-C4'-P energy: -22.087
tors. eta vs tors. theta energy: -47.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -482.902506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.902506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.902506 (E_RNA)
where:
Base-Base interactions energy: -331.328
where: short stacking energy: -136.069
Base-Backbone interact. energy: -0.606
local terms energy: -150.968171
where:
bonds (distance) C4'-P energy: -31.444
bonds (distance) P-C4' energy: -30.318
flat angles C4'-P-C4' energy: -31.416
flat angles P-C4'-P energy: -23.827
tors. eta vs tors. theta energy: -33.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -437.162806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.162806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.162806 (E_RNA)
where:
Base-Base interactions energy: -301.268
where: short stacking energy: -123.898
Base-Backbone interact. energy: -2.307
local terms energy: -133.587701
where:
bonds (distance) C4'-P energy: -23.698
bonds (distance) P-C4' energy: -29.900
flat angles C4'-P-C4' energy: -28.589
flat angles P-C4'-P energy: -18.300
tors. eta vs tors. theta energy: -33.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -406.644562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.644562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.644562 (E_RNA)
where:
Base-Base interactions energy: -262.135
where: short stacking energy: -126.535
Base-Backbone interact. energy: -0.251
local terms energy: -144.259140
where:
bonds (distance) C4'-P energy: -26.068
bonds (distance) P-C4' energy: -32.746
flat angles C4'-P-C4' energy: -32.851
flat angles P-C4'-P energy: -20.698
tors. eta vs tors. theta energy: -31.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -398.147758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.147758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.147758 (E_RNA)
where:
Base-Base interactions energy: -267.211
where: short stacking energy: -127.945
Base-Backbone interact. energy: 3.669
local terms energy: -134.605931
where:
bonds (distance) C4'-P energy: -25.858
bonds (distance) P-C4' energy: -27.424
flat angles C4'-P-C4' energy: -26.908
flat angles P-C4'-P energy: -16.079
tors. eta vs tors. theta energy: -38.337
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: 8
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -237.878541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.878541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.878541 (E_RNA)
where:
Base-Base interactions energy: -133.460
where: short stacking energy: -84.950
Base-Backbone interact. energy: -0.172
local terms energy: -104.247050
where:
bonds (distance) C4'-P energy: -20.291
bonds (distance) P-C4' energy: -27.711
flat angles C4'-P-C4' energy: -27.440
flat angles P-C4'-P energy: -16.644
tors. eta vs tors. theta energy: -12.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -152.910689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.910689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.910689 (E_RNA)
where:
Base-Base interactions energy: -65.629
where: short stacking energy: -52.927
Base-Backbone interact. energy: -0.757
local terms energy: -86.524721
where:
bonds (distance) C4'-P energy: -23.130
bonds (distance) P-C4' energy: -27.795
flat angles C4'-P-C4' energy: -22.531
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -2.510
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: 4
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -149.434674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.434674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.434674 (E_RNA)
where:
Base-Base interactions energy: -58.830
where: short stacking energy: -41.235
Base-Backbone interact. energy: -0.245
local terms energy: -90.359987
where:
bonds (distance) C4'-P energy: -25.689
bonds (distance) P-C4' energy: -31.589
flat angles C4'-P-C4' energy: -17.907
flat angles P-C4'-P energy: -14.791
tors. eta vs tors. theta energy: -0.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -536.148593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.148593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.148593 (E_RNA)
where:
Base-Base interactions energy: -364.478
where: short stacking energy: -163.571
Base-Backbone interact. energy: -1.871
local terms energy: -169.798983
where:
bonds (distance) C4'-P energy: -34.330
bonds (distance) P-C4' energy: -33.122
flat angles C4'-P-C4' energy: -35.267
flat angles P-C4'-P energy: -18.341
tors. eta vs tors. theta energy: -48.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -526.606618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.606618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.606618 (E_RNA)
where:
Base-Base interactions energy: -364.126
where: short stacking energy: -164.653
Base-Backbone interact. energy: -0.103
local terms energy: -162.378185
where:
bonds (distance) C4'-P energy: -34.040
bonds (distance) P-C4' energy: -24.627
flat angles C4'-P-C4' energy: -30.016
flat angles P-C4'-P energy: -27.089
tors. eta vs tors. theta energy: -46.607
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: 2
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -500.632111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.632111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.632111 (E_RNA)
where:
Base-Base interactions energy: -339.266
where: short stacking energy: -155.907
Base-Backbone interact. energy: -1.635
local terms energy: -159.730528
where:
bonds (distance) C4'-P energy: -25.672
bonds (distance) P-C4' energy: -31.107
flat angles C4'-P-C4' energy: -32.085
flat angles P-C4'-P energy: -25.339
tors. eta vs tors. theta energy: -45.527
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: 1
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -441.960982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.960982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.960982 (E_RNA)
where:
Base-Base interactions energy: -287.377
where: short stacking energy: -123.935
Base-Backbone interact. energy: -1.309
local terms energy: -153.275281
where:
bonds (distance) C4'-P energy: -23.864
bonds (distance) P-C4' energy: -33.300
flat angles C4'-P-C4' energy: -32.349
flat angles P-C4'-P energy: -23.248
tors. eta vs tors. theta energy: -40.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -401.711791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.711791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.711791 (E_RNA)
where:
Base-Base interactions energy: -263.049
where: short stacking energy: -120.795
Base-Backbone interact. energy: -0.022
local terms energy: -138.640959
where:
bonds (distance) C4'-P energy: -29.192
bonds (distance) P-C4' energy: -23.001
flat angles C4'-P-C4' energy: -34.466
flat angles P-C4'-P energy: -18.148
tors. eta vs tors. theta energy: -33.834
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: 5
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -437.673633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.673633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.673633 (E_RNA)
where:
Base-Base interactions energy: -304.810
where: short stacking energy: -117.676
Base-Backbone interact. energy: -1.594
local terms energy: -131.269046
where:
bonds (distance) C4'-P energy: -23.853
bonds (distance) P-C4' energy: -28.841
flat angles C4'-P-C4' energy: -30.553
flat angles P-C4'-P energy: -18.515
tors. eta vs tors. theta energy: -29.507
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: 7
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -392.272537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.272537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.272537 (E_RNA)
where:
Base-Base interactions energy: -259.498
where: short stacking energy: -107.650
Base-Backbone interact. energy: 4.547
local terms energy: -137.321874
where:
bonds (distance) C4'-P energy: -26.640
bonds (distance) P-C4' energy: -34.219
flat angles C4'-P-C4' energy: -33.590
flat angles P-C4'-P energy: -18.722
tors. eta vs tors. theta energy: -24.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -246.018375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.018375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.018375 (E_RNA)
where:
Base-Base interactions energy: -126.224
where: short stacking energy: -64.850
Base-Backbone interact. energy: 0.052
local terms energy: -119.847021
where:
bonds (distance) C4'-P energy: -29.362
bonds (distance) P-C4' energy: -33.812
flat angles C4'-P-C4' energy: -23.455
flat angles P-C4'-P energy: -21.554
tors. eta vs tors. theta energy: -11.664
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: 9, replica: 4
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -166.734653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.734653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.734653 (E_RNA)
where:
Base-Base interactions energy: -72.392
where: short stacking energy: -55.263
Base-Backbone interact. energy: -0.365
local terms energy: -93.977534
where:
bonds (distance) C4'-P energy: -25.146
bonds (distance) P-C4' energy: -34.327
flat angles C4'-P-C4' energy: -24.181
flat angles P-C4'-P energy: -11.196
tors. eta vs tors. theta energy: 0.872
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: 138
Temperature: 1.350000
Total energy: -156.146015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.146015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.146015 (E_RNA)
where:
Base-Base interactions energy: -59.693
where: short stacking energy: -41.727
Base-Backbone interact. energy: -1.289
local terms energy: -95.163593
where:
bonds (distance) C4'-P energy: -28.260
bonds (distance) P-C4' energy: -32.290
flat angles C4'-P-C4' energy: -27.143
flat angles P-C4'-P energy: -12.378
tors. eta vs tors. theta energy: 4.907
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: 1, replica: 10
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -537.582219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.582219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.582219 (E_RNA)
where:
Base-Base interactions energy: -366.994
where: short stacking energy: -153.185
Base-Backbone interact. energy: 0.073
local terms energy: -170.660933
where:
bonds (distance) C4'-P energy: -30.115
bonds (distance) P-C4' energy: -29.096
flat angles C4'-P-C4' energy: -36.816
flat angles P-C4'-P energy: -28.380
tors. eta vs tors. theta energy: -46.254
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: 2
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -522.013356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.013356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.013356 (E_RNA)
where:
Base-Base interactions energy: -355.507
where: short stacking energy: -161.961
Base-Backbone interact. energy: -1.642
local terms energy: -164.864628
where:
bonds (distance) C4'-P energy: -26.233
bonds (distance) P-C4' energy: -32.604
flat angles C4'-P-C4' energy: -34.727
flat angles P-C4'-P energy: -26.112
tors. eta vs tors. theta energy: -45.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -510.324429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.324429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.324429 (E_RNA)
where:
Base-Base interactions energy: -345.262
where: short stacking energy: -165.492
Base-Backbone interact. energy: 2.523
local terms energy: -167.585240
where:
bonds (distance) C4'-P energy: -29.999
bonds (distance) P-C4' energy: -28.340
flat angles C4'-P-C4' energy: -36.956
flat angles P-C4'-P energy: -24.113
tors. eta vs tors. theta energy: -48.178
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: 1
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -449.455710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.455710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.455710 (E_RNA)
where:
Base-Base interactions energy: -295.766
where: short stacking energy: -154.407
Base-Backbone interact. energy: -0.424
local terms energy: -153.265594
where:
bonds (distance) C4'-P energy: -22.347
bonds (distance) P-C4' energy: -32.754
flat angles C4'-P-C4' energy: -33.692
flat angles P-C4'-P energy: -23.229
tors. eta vs tors. theta energy: -41.243
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: 3
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -399.669605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.669605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.669605 (E_RNA)
where:
Base-Base interactions energy: -265.202
where: short stacking energy: -128.553
Base-Backbone interact. energy: -0.763
local terms energy: -133.704477
where:
bonds (distance) C4'-P energy: -23.547
bonds (distance) P-C4' energy: -26.687
flat angles C4'-P-C4' energy: -28.855
flat angles P-C4'-P energy: -18.152
tors. eta vs tors. theta energy: -36.464
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: 5
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -412.553777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.553777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.553777 (E_RNA)
where:
Base-Base interactions energy: -282.846
where: short stacking energy: -115.564
Base-Backbone interact. energy: -1.674
local terms energy: -128.032879
where:
bonds (distance) C4'-P energy: -27.359
bonds (distance) P-C4' energy: -33.515
flat angles C4'-P-C4' energy: -29.595
flat angles P-C4'-P energy: -7.903
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: 7, replica: 7
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -386.424243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.424243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.424243 (E_RNA)
where:
Base-Base interactions energy: -238.584
where: short stacking energy: -113.194
Base-Backbone interact. energy: 0.453
local terms energy: -148.292797
where:
bonds (distance) C4'-P energy: -32.918
bonds (distance) P-C4' energy: -35.693
flat angles C4'-P-C4' energy: -27.678
flat angles P-C4'-P energy: -21.671
tors. eta vs tors. theta energy: -30.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -252.813691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.813691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.813691 (E_RNA)
where:
Base-Base interactions energy: -156.613
where: short stacking energy: -72.306
Base-Backbone interact. energy: -0.470
local terms energy: -95.730043
where:
bonds (distance) C4'-P energy: -21.094
bonds (distance) P-C4' energy: -28.984
flat angles C4'-P-C4' energy: -24.586
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -9.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -161.917572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.917572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.917572 (E_RNA)
where:
Base-Base interactions energy: -71.022
where: short stacking energy: -60.524
Base-Backbone interact. energy: -0.414
local terms energy: -90.481782
where:
bonds (distance) C4'-P energy: -11.516
bonds (distance) P-C4' energy: -27.731
flat angles C4'-P-C4' energy: -28.422
flat angles P-C4'-P energy: -20.160
tors. eta vs tors. theta energy: -2.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -151.685907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.685907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.685907 (E_RNA)
where:
Base-Base interactions energy: -57.114
where: short stacking energy: -43.340
Base-Backbone interact. energy: -1.208
local terms energy: -93.363810
where:
bonds (distance) C4'-P energy: -31.239
bonds (distance) P-C4' energy: -23.578
flat angles C4'-P-C4' energy: -30.344
flat angles P-C4'-P energy: -13.479
tors. eta vs tors. theta energy: 5.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -531.211266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.211266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.211266 (E_RNA)
where:
Base-Base interactions energy: -363.620
where: short stacking energy: -149.696
Base-Backbone interact. energy: -2.051
local terms energy: -165.539526
where:
bonds (distance) C4'-P energy: -24.762
bonds (distance) P-C4' energy: -32.364
flat angles C4'-P-C4' energy: -36.843
flat angles P-C4'-P energy: -25.383
tors. eta vs tors. theta energy: -46.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -510.623997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.623997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.623997 (E_RNA)
where:
Base-Base interactions energy: -348.423
where: short stacking energy: -156.112
Base-Backbone interact. energy: -0.120
local terms energy: -162.081451
where:
bonds (distance) C4'-P energy: -26.308
bonds (distance) P-C4' energy: -35.853
flat angles C4'-P-C4' energy: -33.034
flat angles P-C4'-P energy: -20.772
tors. eta vs tors. theta energy: -46.113
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: 6
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -513.210116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.210116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.210116 (E_RNA)
where:
Base-Base interactions energy: -342.973
where: short stacking energy: -161.070
Base-Backbone interact. energy: -0.586
local terms energy: -169.650974
where:
bonds (distance) C4'-P energy: -33.981
bonds (distance) P-C4' energy: -32.684
flat angles C4'-P-C4' energy: -31.872
flat angles P-C4'-P energy: -23.635
tors. eta vs tors. theta energy: -47.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -425.227920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.227920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.227920 (E_RNA)
where:
Base-Base interactions energy: -283.509
where: short stacking energy: -132.603
Base-Backbone interact. energy: -1.558
local terms energy: -140.161162
where:
bonds (distance) C4'-P energy: -25.132
bonds (distance) P-C4' energy: -31.325
flat angles C4'-P-C4' energy: -27.462
flat angles P-C4'-P energy: -21.398
tors. eta vs tors. theta energy: -34.844
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: 5
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -435.049790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.049790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.049790 (E_RNA)
where:
Base-Base interactions energy: -286.102
where: short stacking energy: -122.784
Base-Backbone interact. energy: -0.178
local terms energy: -148.770227
where:
bonds (distance) C4'-P energy: -28.604
bonds (distance) P-C4' energy: -35.962
flat angles C4'-P-C4' energy: -29.210
flat angles P-C4'-P energy: -20.403
tors. eta vs tors. theta energy: -34.592
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: 140
Temperature: 1.150000
Total energy: -409.826093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.826093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.826093 (E_RNA)
where:
Base-Base interactions energy: -262.225
where: short stacking energy: -121.637
Base-Backbone interact. energy: -1.045
local terms energy: -146.555413
where:
bonds (distance) C4'-P energy: -28.445
bonds (distance) P-C4' energy: -30.598
flat angles C4'-P-C4' energy: -31.124
flat angles P-C4'-P energy: -23.049
tors. eta vs tors. theta energy: -33.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -380.323362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.323362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.323362 (E_RNA)
where:
Base-Base interactions energy: -245.634
where: short stacking energy: -111.608
Base-Backbone interact. energy: -0.966
local terms energy: -133.723396
where:
bonds (distance) C4'-P energy: -30.987
bonds (distance) P-C4' energy: -26.963
flat angles C4'-P-C4' energy: -31.721
flat angles P-C4'-P energy: -16.022
tors. eta vs tors. theta energy: -28.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -239.028543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.028543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.028543 (E_RNA)
where:
Base-Base interactions energy: -127.650
where: short stacking energy: -72.324
Base-Backbone interact. energy: -0.725
local terms energy: -110.652880
where:
bonds (distance) C4'-P energy: -27.313
bonds (distance) P-C4' energy: -28.036
flat angles C4'-P-C4' energy: -22.091
flat angles P-C4'-P energy: -21.872
tors. eta vs tors. theta energy: -11.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -204.902379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.902379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.902379 (E_RNA)
where:
Base-Base interactions energy: -98.138
where: short stacking energy: -67.599
Base-Backbone interact. energy: 0.389
local terms energy: -107.153134
where:
bonds (distance) C4'-P energy: -25.063
bonds (distance) P-C4' energy: -29.147
flat angles C4'-P-C4' energy: -29.585
flat angles P-C4'-P energy: -19.219
tors. eta vs tors. theta energy: -4.139
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: 10, replica: 9
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -143.792076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.792076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.792076 (E_RNA)
where:
Base-Base interactions energy: -53.558
where: short stacking energy: -50.962
Base-Backbone interact. energy: -0.244
local terms energy: -89.990032
where:
bonds (distance) C4'-P energy: -29.815
bonds (distance) P-C4' energy: -27.935
flat angles C4'-P-C4' energy: -20.498
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -0.325
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: 141
Temperature: 0.900000
Total energy: -538.879779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.879779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.879779 (E_RNA)
where:
Base-Base interactions energy: -377.042
where: short stacking energy: -170.688
Base-Backbone interact. energy: -2.232
local terms energy: -159.605554
where:
bonds (distance) C4'-P energy: -22.997
bonds (distance) P-C4' energy: -36.073
flat angles C4'-P-C4' energy: -26.802
flat angles P-C4'-P energy: -25.276
tors. eta vs tors. theta energy: -48.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -514.078101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.078101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.078101 (E_RNA)
where:
Base-Base interactions energy: -351.224
where: short stacking energy: -148.484
Base-Backbone interact. energy: -0.798
local terms energy: -162.056483
where:
bonds (distance) C4'-P energy: -24.243
bonds (distance) P-C4' energy: -31.901
flat angles C4'-P-C4' energy: -34.724
flat angles P-C4'-P energy: -27.801
tors. eta vs tors. theta energy: -43.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -519.463356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.463356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.463356 (E_RNA)
where:
Base-Base interactions energy: -351.978
where: short stacking energy: -159.243
Base-Backbone interact. energy: -1.241
local terms energy: -166.244578
where:
bonds (distance) C4'-P energy: -30.308
bonds (distance) P-C4' energy: -30.606
flat angles C4'-P-C4' energy: -33.477
flat angles P-C4'-P energy: -23.670
tors. eta vs tors. theta energy: -48.183
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: 4, replica: 5
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -461.797525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.797525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.797525 (E_RNA)
where:
Base-Base interactions energy: -302.915
where: short stacking energy: -127.435
Base-Backbone interact. energy: -0.593
local terms energy: -158.289172
where:
bonds (distance) C4'-P energy: -33.732
bonds (distance) P-C4' energy: -30.607
flat angles C4'-P-C4' energy: -31.257
flat angles P-C4'-P energy: -28.450
tors. eta vs tors. theta energy: -34.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -421.237043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.237043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.237043 (E_RNA)
where:
Base-Base interactions energy: -285.943
where: short stacking energy: -123.255
Base-Backbone interact. energy: -0.718
local terms energy: -134.575556
where:
bonds (distance) C4'-P energy: -27.092
bonds (distance) P-C4' energy: -29.114
flat angles C4'-P-C4' energy: -27.072
flat angles P-C4'-P energy: -19.349
tors. eta vs tors. theta energy: -31.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -410.344311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.344311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.344311 (E_RNA)
where:
Base-Base interactions energy: -271.654
where: short stacking energy: -129.790
Base-Backbone interact. energy: -1.574
local terms energy: -137.116366
where:
bonds (distance) C4'-P energy: -29.688
bonds (distance) P-C4' energy: -25.319
flat angles C4'-P-C4' energy: -30.201
flat angles P-C4'-P energy: -18.357
tors. eta vs tors. theta energy: -33.552
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: 7, replica: 7
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -365.780650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.780650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.780650 (E_RNA)
where:
Base-Base interactions energy: -237.607
where: short stacking energy: -109.319
Base-Backbone interact. energy: -1.114
local terms energy: -127.060075
where:
bonds (distance) C4'-P energy: -26.675
bonds (distance) P-C4' energy: -32.305
flat angles C4'-P-C4' energy: -21.842
flat angles P-C4'-P energy: -17.150
tors. eta vs tors. theta energy: -29.088
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: 8
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -234.640423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.640423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.640423 (E_RNA)
where:
Base-Base interactions energy: -131.499
where: short stacking energy: -69.122
Base-Backbone interact. energy: -0.920
local terms energy: -102.221594
where:
bonds (distance) C4'-P energy: -28.627
bonds (distance) P-C4' energy: -23.455
flat angles C4'-P-C4' energy: -28.141
flat angles P-C4'-P energy: -19.602
tors. eta vs tors. theta energy: -2.397
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: 4
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -171.129311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.129311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.129311 (E_RNA)
where:
Base-Base interactions energy: -61.093
where: short stacking energy: -51.720
Base-Backbone interact. energy: -0.418
local terms energy: -109.618571
where:
bonds (distance) C4'-P energy: -27.308
bonds (distance) P-C4' energy: -32.604
flat angles C4'-P-C4' energy: -24.377
flat angles P-C4'-P energy: -15.277
tors. eta vs tors. theta energy: -10.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -153.298668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.298668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.298668 (E_RNA)
where:
Base-Base interactions energy: -50.763
where: short stacking energy: -42.051
Base-Backbone interact. energy: 1.315
local terms energy: -103.851253
where:
bonds (distance) C4'-P energy: -30.868
bonds (distance) P-C4' energy: -28.270
flat angles C4'-P-C4' energy: -24.451
flat angles P-C4'-P energy: -16.940
tors. eta vs tors. theta energy: -3.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -531.939143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.939143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.939143 (E_RNA)
where:
Base-Base interactions energy: -356.271
where: short stacking energy: -150.293
Base-Backbone interact. energy: -0.396
local terms energy: -175.271486
where:
bonds (distance) C4'-P energy: -31.915
bonds (distance) P-C4' energy: -31.833
flat angles C4'-P-C4' energy: -37.330
flat angles P-C4'-P energy: -28.407
tors. eta vs tors. theta energy: -45.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -528.662686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.662686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.662686 (E_RNA)
where:
Base-Base interactions energy: -360.029
where: short stacking energy: -158.927
Base-Backbone interact. energy: -0.421
local terms energy: -168.212869
where:
bonds (distance) C4'-P energy: -28.747
bonds (distance) P-C4' energy: -35.354
flat angles C4'-P-C4' energy: -38.624
flat angles P-C4'-P energy: -20.768
tors. eta vs tors. theta energy: -44.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -511.410824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.410824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.410824 (E_RNA)
where:
Base-Base interactions energy: -352.536
where: short stacking energy: -159.363
Base-Backbone interact. energy: -1.002
local terms energy: -157.873137
where:
bonds (distance) C4'-P energy: -28.224
bonds (distance) P-C4' energy: -29.986
flat angles C4'-P-C4' energy: -30.775
flat angles P-C4'-P energy: -26.271
tors. eta vs tors. theta energy: -42.619
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: 4, replica: 5
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -471.583249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.583249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.583249 (E_RNA)
where:
Base-Base interactions energy: -310.514
where: short stacking energy: -131.143
Base-Backbone interact. energy: -1.977
local terms energy: -159.091660
where:
bonds (distance) C4'-P energy: -33.386
bonds (distance) P-C4' energy: -32.733
flat angles C4'-P-C4' energy: -34.377
flat angles P-C4'-P energy: -19.267
tors. eta vs tors. theta energy: -39.328
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: 142
Temperature: 1.100000
Total energy: -435.134559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.134559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.134559 (E_RNA)
where:
Base-Base interactions energy: -287.055
where: short stacking energy: -143.846
Base-Backbone interact. energy: -0.395
local terms energy: -147.684995
where:
bonds (distance) C4'-P energy: -28.927
bonds (distance) P-C4' energy: -26.392
flat angles C4'-P-C4' energy: -32.965
flat angles P-C4'-P energy: -20.004
tors. eta vs tors. theta energy: -39.398
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: 1
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -415.314935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.314935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.314935 (E_RNA)
where:
Base-Base interactions energy: -269.021
where: short stacking energy: -121.141
Base-Backbone interact. energy: -1.466
local terms energy: -144.827876
where:
bonds (distance) C4'-P energy: -26.071
bonds (distance) P-C4' energy: -32.062
flat angles C4'-P-C4' energy: -33.358
flat angles P-C4'-P energy: -19.859
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: 7, replica: 7
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -376.043253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.043253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.043253 (E_RNA)
where:
Base-Base interactions energy: -245.510
where: short stacking energy: -119.675
Base-Backbone interact. energy: -2.010
local terms energy: -128.523132
where:
bonds (distance) C4'-P energy: -24.537
bonds (distance) P-C4' energy: -27.535
flat angles C4'-P-C4' energy: -31.627
flat angles P-C4'-P energy: -16.039
tors. eta vs tors. theta energy: -28.785
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: 8
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -256.565275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.565275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.565275 (E_RNA)
where:
Base-Base interactions energy: -142.874
where: short stacking energy: -90.647
Base-Backbone interact. energy: -0.576
local terms energy: -113.115203
where:
bonds (distance) C4'-P energy: -24.658
bonds (distance) P-C4' energy: -31.589
flat angles C4'-P-C4' energy: -22.388
flat angles P-C4'-P energy: -18.771
tors. eta vs tors. theta energy: -15.710
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: 9, replica: 4
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -162.656820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.656820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.656820 (E_RNA)
where:
Base-Base interactions energy: -56.278
where: short stacking energy: -53.754
Base-Backbone interact. energy: -0.606
local terms energy: -105.772874
where:
bonds (distance) C4'-P energy: -22.678
bonds (distance) P-C4' energy: -33.515
flat angles C4'-P-C4' energy: -28.355
flat angles P-C4'-P energy: -17.040
tors. eta vs tors. theta energy: -4.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -160.586890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.586890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.586890 (E_RNA)
where:
Base-Base interactions energy: -62.679
where: short stacking energy: -55.939
Base-Backbone interact. energy: 1.406
local terms energy: -99.314009
where:
bonds (distance) C4'-P energy: -24.929
bonds (distance) P-C4' energy: -36.385
flat angles C4'-P-C4' energy: -23.507
flat angles P-C4'-P energy: -17.497
tors. eta vs tors. theta energy: 3.003
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: 1, replica: 2
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -527.589693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.589693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.589693 (E_RNA)
where:
Base-Base interactions energy: -358.305
where: short stacking energy: -146.222
Base-Backbone interact. energy: -1.513
local terms energy: -167.771740
where:
bonds (distance) C4'-P energy: -28.972
bonds (distance) P-C4' energy: -31.818
flat angles C4'-P-C4' energy: -36.068
flat angles P-C4'-P energy: -23.485
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: 2, replica: 10
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -524.434036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.434036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.434036 (E_RNA)
where:
Base-Base interactions energy: -346.068
where: short stacking energy: -158.283
Base-Backbone interact. energy: -0.837
local terms energy: -177.528187
where:
bonds (distance) C4'-P energy: -33.207
bonds (distance) P-C4' energy: -32.063
flat angles C4'-P-C4' energy: -36.369
flat angles P-C4'-P energy: -29.029
tors. eta vs tors. theta energy: -46.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -512.288650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.288650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.288650 (E_RNA)
where:
Base-Base interactions energy: -349.053
where: short stacking energy: -163.724
Base-Backbone interact. energy: -0.820
local terms energy: -162.415926
where:
bonds (distance) C4'-P energy: -21.009
bonds (distance) P-C4' energy: -33.382
flat angles C4'-P-C4' energy: -32.504
flat angles P-C4'-P energy: -25.931
tors. eta vs tors. theta energy: -49.589
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: 5
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -460.347063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.347063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.347063 (E_RNA)
where:
Base-Base interactions energy: -303.043
where: short stacking energy: -146.188
Base-Backbone interact. energy: -0.268
local terms energy: -157.035719
where:
bonds (distance) C4'-P energy: -31.030
bonds (distance) P-C4' energy: -33.460
flat angles C4'-P-C4' energy: -27.012
flat angles P-C4'-P energy: -23.964
tors. eta vs tors. theta energy: -41.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -448.816304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.816304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.816304 (E_RNA)
where:
Base-Base interactions energy: -295.907
where: short stacking energy: -142.070
Base-Backbone interact. energy: -1.396
local terms energy: -151.513000
where:
bonds (distance) C4'-P energy: -28.931
bonds (distance) P-C4' energy: -31.417
flat angles C4'-P-C4' energy: -28.920
flat angles P-C4'-P energy: -19.103
tors. eta vs tors. theta energy: -43.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -419.008761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.008761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.008761 (E_RNA)
where:
Base-Base interactions energy: -266.805
where: short stacking energy: -115.727
Base-Backbone interact. energy: -1.281
local terms energy: -150.922425
where:
bonds (distance) C4'-P energy: -28.195
bonds (distance) P-C4' energy: -34.045
flat angles C4'-P-C4' energy: -34.265
flat angles P-C4'-P energy: -26.671
tors. eta vs tors. theta energy: -27.746
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: 7
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -342.355061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.355061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.355061 (E_RNA)
where:
Base-Base interactions energy: -222.932
where: short stacking energy: -111.433
Base-Backbone interact. energy: -0.747
local terms energy: -118.675991
where:
bonds (distance) C4'-P energy: -29.965
bonds (distance) P-C4' energy: -28.692
flat angles C4'-P-C4' energy: -27.462
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -21.039
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: 8
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -242.858807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.858807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.858807 (E_RNA)
where:
Base-Base interactions energy: -140.114
where: short stacking energy: -76.840
Base-Backbone interact. energy: 1.007
local terms energy: -103.751718
where:
bonds (distance) C4'-P energy: -27.850
bonds (distance) P-C4' energy: -27.616
flat angles C4'-P-C4' energy: -26.908
flat angles P-C4'-P energy: -12.837
tors. eta vs tors. theta energy: -8.541
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: 9, replica: 4
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -181.388090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.388090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.388090 (E_RNA)
where:
Base-Base interactions energy: -83.041
where: short stacking energy: -46.397
Base-Backbone interact. energy: -0.295
local terms energy: -98.052900
where:
bonds (distance) C4'-P energy: -23.862
bonds (distance) P-C4' energy: -30.106
flat angles C4'-P-C4' energy: -29.375
flat angles P-C4'-P energy: -18.727
tors. eta vs tors. theta energy: 4.018
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: 10, replica: 9
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -147.141931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.141931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.141931 (E_RNA)
where:
Base-Base interactions energy: -54.025
where: short stacking energy: -51.683
Base-Backbone interact. energy: -1.203
local terms energy: -91.913859
where:
bonds (distance) C4'-P energy: -26.788
bonds (distance) P-C4' energy: -25.124
flat angles C4'-P-C4' energy: -24.116
flat angles P-C4'-P energy: -13.031
tors. eta vs tors. theta energy: -2.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -531.248579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.248579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.248579 (E_RNA)
where:
Base-Base interactions energy: -356.669
where: short stacking energy: -169.959
Base-Backbone interact. energy: 1.966
local terms energy: -176.544952
where:
bonds (distance) C4'-P energy: -30.556
bonds (distance) P-C4' energy: -34.151
flat angles C4'-P-C4' energy: -36.386
flat angles P-C4'-P energy: -27.685
tors. eta vs tors. theta energy: -47.767
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: 2, replica: 2
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -510.937797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.937797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.937797 (E_RNA)
where:
Base-Base interactions energy: -342.351
where: short stacking energy: -147.747
Base-Backbone interact. energy: 0.482
local terms energy: -169.068818
where:
bonds (distance) C4'-P energy: -34.532
bonds (distance) P-C4' energy: -28.790
flat angles C4'-P-C4' energy: -37.632
flat angles P-C4'-P energy: -24.122
tors. eta vs tors. theta energy: -43.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -518.202990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.202990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.202990 (E_RNA)
where:
Base-Base interactions energy: -342.982
where: short stacking energy: -159.587
Base-Backbone interact. energy: -0.693
local terms energy: -174.528598
where:
bonds (distance) C4'-P energy: -33.848
bonds (distance) P-C4' energy: -26.578
flat angles C4'-P-C4' energy: -39.817
flat angles P-C4'-P energy: -24.777
tors. eta vs tors. theta energy: -49.508
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: 144
Temperature: 1.050000
Total energy: -456.200143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.200143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.200143 (E_RNA)
where:
Base-Base interactions energy: -309.553
where: short stacking energy: -132.406
Base-Backbone interact. energy: 0.102
local terms energy: -146.749543
where:
bonds (distance) C4'-P energy: -26.929
bonds (distance) P-C4' energy: -33.215
flat angles C4'-P-C4' energy: -31.562
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -42.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -430.880065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.880065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.880065 (E_RNA)
where:
Base-Base interactions energy: -284.262
where: short stacking energy: -132.023
Base-Backbone interact. energy: -0.523
local terms energy: -146.095326
where:
bonds (distance) C4'-P energy: -25.506
bonds (distance) P-C4' energy: -30.712
flat angles C4'-P-C4' energy: -29.342
flat angles P-C4'-P energy: -20.128
tors. eta vs tors. theta energy: -40.407
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: 144
Temperature: 1.150000
Total energy: -396.070045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.070045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.070045 (E_RNA)
where:
Base-Base interactions energy: -258.283
where: short stacking energy: -113.815
Base-Backbone interact. energy: -2.012
local terms energy: -135.775372
where:
bonds (distance) C4'-P energy: -22.088
bonds (distance) P-C4' energy: -25.938
flat angles C4'-P-C4' energy: -30.943
flat angles P-C4'-P energy: -23.613
tors. eta vs tors. theta energy: -33.194
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: 7, replica: 7
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -337.627428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.627428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.627428 (E_RNA)
where:
Base-Base interactions energy: -229.297
where: short stacking energy: -102.891
Base-Backbone interact. energy: -1.490
local terms energy: -106.840474
where:
bonds (distance) C4'-P energy: -23.337
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -25.986
flat angles P-C4'-P energy: -18.402
tors. eta vs tors. theta energy: -22.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -245.689727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.689727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.689727 (E_RNA)
where:
Base-Base interactions energy: -128.535
where: short stacking energy: -71.431
Base-Backbone interact. energy: 0.577
local terms energy: -117.731631
where:
bonds (distance) C4'-P energy: -33.493
bonds (distance) P-C4' energy: -28.013
flat angles C4'-P-C4' energy: -30.155
flat angles P-C4'-P energy: -22.173
tors. eta vs tors. theta energy: -3.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -167.945920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.945920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.945920 (E_RNA)
where:
Base-Base interactions energy: -57.020
where: short stacking energy: -53.313
Base-Backbone interact. energy: 0.147
local terms energy: -111.073084
where:
bonds (distance) C4'-P energy: -33.318
bonds (distance) P-C4' energy: -29.127
flat angles C4'-P-C4' energy: -25.292
flat angles P-C4'-P energy: -17.306
tors. eta vs tors. theta energy: -6.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -152.121524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.121524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.121524 (E_RNA)
where:
Base-Base interactions energy: -68.274
where: short stacking energy: -41.496
Base-Backbone interact. energy: -0.577
local terms energy: -83.271050
where:
bonds (distance) C4'-P energy: -21.068
bonds (distance) P-C4' energy: -23.721
flat angles C4'-P-C4' energy: -16.867
flat angles P-C4'-P energy: -17.029
tors. eta vs tors. theta energy: -4.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -525.945409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.945409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.945409 (E_RNA)
where:
Base-Base interactions energy: -364.375
where: short stacking energy: -166.429
Base-Backbone interact. energy: -0.808
local terms energy: -160.762093
where:
bonds (distance) C4'-P energy: -34.197
bonds (distance) P-C4' energy: -24.976
flat angles C4'-P-C4' energy: -37.595
flat angles P-C4'-P energy: -21.711
tors. eta vs tors. theta energy: -42.283
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: 145
Temperature: 0.950000
Total energy: -527.813195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.813195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.813195 (E_RNA)
where:
Base-Base interactions energy: -363.019
where: short stacking energy: -165.164
Base-Backbone interact. energy: -0.238
local terms energy: -164.555971
where:
bonds (distance) C4'-P energy: -28.497
bonds (distance) P-C4' energy: -32.119
flat angles C4'-P-C4' energy: -35.969
flat angles P-C4'-P energy: -19.657
tors. eta vs tors. theta energy: -48.314
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: 2
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -490.352307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.352307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.352307 (E_RNA)
where:
Base-Base interactions energy: -331.614
where: short stacking energy: -135.712
Base-Backbone interact. energy: -0.658
local terms energy: -158.080750
where:
bonds (distance) C4'-P energy: -34.086
bonds (distance) P-C4' energy: -35.448
flat angles C4'-P-C4' energy: -34.877
flat angles P-C4'-P energy: -17.636
tors. eta vs tors. theta energy: -36.032
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: 4, replica: 5
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -451.960726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.960726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.960726 (E_RNA)
where:
Base-Base interactions energy: -293.119
where: short stacking energy: -143.548
Base-Backbone interact. energy: -0.478
local terms energy: -158.363663
where:
bonds (distance) C4'-P energy: -36.386
bonds (distance) P-C4' energy: -26.580
flat angles C4'-P-C4' energy: -30.590
flat angles P-C4'-P energy: -20.772
tors. eta vs tors. theta energy: -44.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -439.455107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.455107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.455107 (E_RNA)
where:
Base-Base interactions energy: -280.336
where: short stacking energy: -129.463
Base-Backbone interact. energy: -1.116
local terms energy: -158.003285
where:
bonds (distance) C4'-P energy: -31.048
bonds (distance) P-C4' energy: -31.153
flat angles C4'-P-C4' energy: -37.179
flat angles P-C4'-P energy: -20.323
tors. eta vs tors. theta energy: -38.301
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: 145
Temperature: 1.150000
Total energy: -416.311066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.311066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.311066 (E_RNA)
where:
Base-Base interactions energy: -271.554
where: short stacking energy: -129.495
Base-Backbone interact. energy: -0.836
local terms energy: -143.921610
where:
bonds (distance) C4'-P energy: -32.140
bonds (distance) P-C4' energy: -36.424
flat angles C4'-P-C4' energy: -26.173
flat angles P-C4'-P energy: -17.184
tors. eta vs tors. theta energy: -32.000
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: 7
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -336.153856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.153856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.153856 (E_RNA)
where:
Base-Base interactions energy: -201.840
where: short stacking energy: -118.706
Base-Backbone interact. energy: 0.264
local terms energy: -134.578321
where:
bonds (distance) C4'-P energy: -24.552
bonds (distance) P-C4' energy: -32.419
flat angles C4'-P-C4' energy: -28.683
flat angles P-C4'-P energy: -20.609
tors. eta vs tors. theta energy: -28.316
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: 8
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -260.820611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.820611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.820611 (E_RNA)
where:
Base-Base interactions energy: -138.296
where: short stacking energy: -70.017
Base-Backbone interact. energy: -0.616
local terms energy: -121.908710
where:
bonds (distance) C4'-P energy: -30.322
bonds (distance) P-C4' energy: -34.213
flat angles C4'-P-C4' energy: -25.970
flat angles P-C4'-P energy: -21.447
tors. eta vs tors. theta energy: -9.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -156.122168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.122168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.122168 (E_RNA)
where:
Base-Base interactions energy: -66.860
where: short stacking energy: -46.391
Base-Backbone interact. energy: 2.768
local terms energy: -92.030430
where:
bonds (distance) C4'-P energy: -19.877
bonds (distance) P-C4' energy: -27.468
flat angles C4'-P-C4' energy: -27.539
flat angles P-C4'-P energy: -16.318
tors. eta vs tors. theta energy: -0.829
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: 4
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -156.941531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.941531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.941531 (E_RNA)
where:
Base-Base interactions energy: -43.130
where: short stacking energy: -41.799
Base-Backbone interact. energy: 0.521
local terms energy: -114.332312
where:
bonds (distance) C4'-P energy: -33.732
bonds (distance) P-C4' energy: -30.056
flat angles C4'-P-C4' energy: -28.250
flat angles P-C4'-P energy: -20.383
tors. eta vs tors. theta energy: -1.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -525.876435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.876435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.876435 (E_RNA)
where:
Base-Base interactions energy: -363.747
where: short stacking energy: -168.138
Base-Backbone interact. energy: -0.320
local terms energy: -161.809116
where:
bonds (distance) C4'-P energy: -20.480
bonds (distance) P-C4' energy: -35.378
flat angles C4'-P-C4' energy: -38.050
flat angles P-C4'-P energy: -18.671
tors. eta vs tors. theta energy: -49.231
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: 10
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -512.803358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.803358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.803358 (E_RNA)
where:
Base-Base interactions energy: -337.358
where: short stacking energy: -156.457
Base-Backbone interact. energy: -0.997
local terms energy: -174.448423
where:
bonds (distance) C4'-P energy: -32.751
bonds (distance) P-C4' energy: -36.271
flat angles C4'-P-C4' energy: -37.698
flat angles P-C4'-P energy: -18.189
tors. eta vs tors. theta energy: -49.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -512.194390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.194390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.194390 (E_RNA)
where:
Base-Base interactions energy: -335.485
where: short stacking energy: -149.309
Base-Backbone interact. energy: -0.498
local terms energy: -176.211794
where:
bonds (distance) C4'-P energy: -36.829
bonds (distance) P-C4' energy: -29.831
flat angles C4'-P-C4' energy: -37.818
flat angles P-C4'-P energy: -27.867
tors. eta vs tors. theta energy: -43.866
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: 5
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -467.008393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.008393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.008393 (E_RNA)
where:
Base-Base interactions energy: -329.875
where: short stacking energy: -123.673
Base-Backbone interact. energy: -0.263
local terms energy: -136.870048
where:
bonds (distance) C4'-P energy: -29.050
bonds (distance) P-C4' energy: -24.743
flat angles C4'-P-C4' energy: -35.969
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: -38.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -436.206955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.206955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.206955 (E_RNA)
where:
Base-Base interactions energy: -294.437
where: short stacking energy: -136.128
Base-Backbone interact. energy: -0.768
local terms energy: -141.001621
where:
bonds (distance) C4'-P energy: -29.402
bonds (distance) P-C4' energy: -27.780
flat angles C4'-P-C4' energy: -32.429
flat angles P-C4'-P energy: -20.529
tors. eta vs tors. theta energy: -30.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -421.633865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.633865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.633865 (E_RNA)
where:
Base-Base interactions energy: -274.557
where: short stacking energy: -133.647
Base-Backbone interact. energy: -1.941
local terms energy: -145.134969
where:
bonds (distance) C4'-P energy: -24.278
bonds (distance) P-C4' energy: -26.509
flat angles C4'-P-C4' energy: -28.326
flat angles P-C4'-P energy: -20.152
tors. eta vs tors. theta energy: -45.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -339.505968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.505968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.505968 (E_RNA)
where:
Base-Base interactions energy: -210.046
where: short stacking energy: -99.068
Base-Backbone interact. energy: -1.021
local terms energy: -128.438225
where:
bonds (distance) C4'-P energy: -27.315
bonds (distance) P-C4' energy: -27.102
flat angles C4'-P-C4' energy: -30.791
flat angles P-C4'-P energy: -24.550
tors. eta vs tors. theta energy: -18.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -230.938520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.938520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.938520 (E_RNA)
where:
Base-Base interactions energy: -126.040
where: short stacking energy: -60.065
Base-Backbone interact. energy: -0.756
local terms energy: -104.142433
where:
bonds (distance) C4'-P energy: -26.003
bonds (distance) P-C4' energy: -25.086
flat angles C4'-P-C4' energy: -27.005
flat angles P-C4'-P energy: -18.851
tors. eta vs tors. theta energy: -7.199
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: 4
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -163.720874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.720874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.720874 (E_RNA)
where:
Base-Base interactions energy: -53.213
where: short stacking energy: -52.415
Base-Backbone interact. energy: -0.134
local terms energy: -110.373787
where:
bonds (distance) C4'-P energy: -34.797
bonds (distance) P-C4' energy: -32.246
flat angles C4'-P-C4' energy: -29.911
flat angles P-C4'-P energy: -12.770
tors. eta vs tors. theta energy: -0.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -144.091835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.091835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.091835 (E_RNA)
where:
Base-Base interactions energy: -55.463
where: short stacking energy: -41.527
Base-Backbone interact. energy: -0.189
local terms energy: -88.439829
where:
bonds (distance) C4'-P energy: -22.662
bonds (distance) P-C4' energy: -32.925
flat angles C4'-P-C4' energy: -21.040
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -3.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -537.269474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.269474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.269474 (E_RNA)
where:
Base-Base interactions energy: -373.555
where: short stacking energy: -169.750
Base-Backbone interact. energy: -0.015
local terms energy: -163.699733
where:
bonds (distance) C4'-P energy: -28.960
bonds (distance) P-C4' energy: -32.605
flat angles C4'-P-C4' energy: -31.812
flat angles P-C4'-P energy: -22.243
tors. eta vs tors. theta energy: -48.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -530.388242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.388242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.388242 (E_RNA)
where:
Base-Base interactions energy: -353.691
where: short stacking energy: -168.804
Base-Backbone interact. energy: 1.336
local terms energy: -178.033186
where:
bonds (distance) C4'-P energy: -29.334
bonds (distance) P-C4' energy: -33.588
flat angles C4'-P-C4' energy: -37.550
flat angles P-C4'-P energy: -29.944
tors. eta vs tors. theta energy: -47.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -517.906426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.906426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.906426 (E_RNA)
where:
Base-Base interactions energy: -356.896
where: short stacking energy: -153.294
Base-Backbone interact. energy: -0.211
local terms energy: -160.799431
where:
bonds (distance) C4'-P energy: -28.314
bonds (distance) P-C4' energy: -33.696
flat angles C4'-P-C4' energy: -29.765
flat angles P-C4'-P energy: -25.865
tors. eta vs tors. theta energy: -43.159
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: 5
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -438.719915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.719915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.719915 (E_RNA)
where:
Base-Base interactions energy: -285.278
where: short stacking energy: -116.498
Base-Backbone interact. energy: -1.084
local terms energy: -152.358266
where:
bonds (distance) C4'-P energy: -33.535
bonds (distance) P-C4' energy: -32.623
flat angles C4'-P-C4' energy: -33.042
flat angles P-C4'-P energy: -16.401
tors. eta vs tors. theta energy: -36.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -422.857396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.857396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.857396 (E_RNA)
where:
Base-Base interactions energy: -278.406
where: short stacking energy: -115.650
Base-Backbone interact. energy: -0.437
local terms energy: -144.014335
where:
bonds (distance) C4'-P energy: -28.434
bonds (distance) P-C4' energy: -23.809
flat angles C4'-P-C4' energy: -34.771
flat angles P-C4'-P energy: -21.625
tors. eta vs tors. theta energy: -35.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -384.091472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.091472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.091472 (E_RNA)
where:
Base-Base interactions energy: -232.837
where: short stacking energy: -121.461
Base-Backbone interact. energy: -0.728
local terms energy: -150.526411
where:
bonds (distance) C4'-P energy: -28.433
bonds (distance) P-C4' energy: -28.440
flat angles C4'-P-C4' energy: -38.025
flat angles P-C4'-P energy: -20.068
tors. eta vs tors. theta energy: -35.560
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: 7, replica: 3
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -387.216896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.216896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.216896 (E_RNA)
where:
Base-Base interactions energy: -251.454
where: short stacking energy: -124.711
Base-Backbone interact. energy: 0.404
local terms energy: -136.166191
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -30.292
flat angles C4'-P-C4' energy: -31.655
flat angles P-C4'-P energy: -23.425
tors. eta vs tors. theta energy: -33.619
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: 8
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -258.772110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.772110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.772110 (E_RNA)
where:
Base-Base interactions energy: -138.371
where: short stacking energy: -74.927
Base-Backbone interact. energy: -0.887
local terms energy: -119.513921
where:
bonds (distance) C4'-P energy: -25.837
bonds (distance) P-C4' energy: -27.497
flat angles C4'-P-C4' energy: -25.434
flat angles P-C4'-P energy: -22.487
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: 9, replica: 4
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -185.308898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.308898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.308898 (E_RNA)
where:
Base-Base interactions energy: -88.297
where: short stacking energy: -63.257
Base-Backbone interact. energy: -0.599
local terms energy: -96.412433
where:
bonds (distance) C4'-P energy: -28.432
bonds (distance) P-C4' energy: -30.837
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -15.891
tors. eta vs tors. theta energy: -5.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -148.156817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.156817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.156817 (E_RNA)
where:
Base-Base interactions energy: -59.740
where: short stacking energy: -51.479
Base-Backbone interact. energy: -1.424
local terms energy: -86.993200
where:
bonds (distance) C4'-P energy: -31.744
bonds (distance) P-C4' energy: -22.797
flat angles C4'-P-C4' energy: -22.893
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: 1.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -530.860789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.860789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.860789 (E_RNA)
where:
Base-Base interactions energy: -366.868
where: short stacking energy: -170.636
Base-Backbone interact. energy: -0.465
local terms energy: -163.527558
where:
bonds (distance) C4'-P energy: -27.291
bonds (distance) P-C4' energy: -25.373
flat angles C4'-P-C4' energy: -33.763
flat angles P-C4'-P energy: -28.284
tors. eta vs tors. theta energy: -48.817
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: 10
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -524.166230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.166230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.166230 (E_RNA)
where:
Base-Base interactions energy: -357.655
where: short stacking energy: -154.329
Base-Backbone interact. energy: -1.423
local terms energy: -165.087692
where:
bonds (distance) C4'-P energy: -36.849
bonds (distance) P-C4' energy: -25.148
flat angles C4'-P-C4' energy: -31.475
flat angles P-C4'-P energy: -24.766
tors. eta vs tors. theta energy: -46.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -512.109090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.109090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.109090 (E_RNA)
where:
Base-Base interactions energy: -347.983
where: short stacking energy: -145.744
Base-Backbone interact. energy: -1.075
local terms energy: -163.051257
where:
bonds (distance) C4'-P energy: -30.748
bonds (distance) P-C4' energy: -30.903
flat angles C4'-P-C4' energy: -29.964
flat angles P-C4'-P energy: -25.613
tors. eta vs tors. theta energy: -45.824
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: 5
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -461.590005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.590005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.590005 (E_RNA)
where:
Base-Base interactions energy: -313.578
where: short stacking energy: -140.795
Base-Backbone interact. energy: -0.859
local terms energy: -147.152103
where:
bonds (distance) C4'-P energy: -26.888
bonds (distance) P-C4' energy: -20.545
flat angles C4'-P-C4' energy: -33.375
flat angles P-C4'-P energy: -23.581
tors. eta vs tors. theta energy: -42.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -423.205543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.205543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.205543 (E_RNA)
where:
Base-Base interactions energy: -291.467
where: short stacking energy: -137.572
Base-Backbone interact. energy: -0.519
local terms energy: -131.220007
where:
bonds (distance) C4'-P energy: -21.612
bonds (distance) P-C4' energy: -27.408
flat angles C4'-P-C4' energy: -31.518
flat angles P-C4'-P energy: -20.023
tors. eta vs tors. theta energy: -30.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -365.327262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.327262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.327262 (E_RNA)
where:
Base-Base interactions energy: -228.265
where: short stacking energy: -125.732
Base-Backbone interact. energy: 0.470
local terms energy: -137.532652
where:
bonds (distance) C4'-P energy: -31.355
bonds (distance) P-C4' energy: -26.137
flat angles C4'-P-C4' energy: -26.826
flat angles P-C4'-P energy: -17.893
tors. eta vs tors. theta energy: -35.322
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: 3
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -348.984323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.984323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.984323 (E_RNA)
where:
Base-Base interactions energy: -214.455
where: short stacking energy: -108.629
Base-Backbone interact. energy: -0.261
local terms energy: -134.268576
where:
bonds (distance) C4'-P energy: -30.570
bonds (distance) P-C4' energy: -31.922
flat angles C4'-P-C4' energy: -30.756
flat angles P-C4'-P energy: -13.671
tors. eta vs tors. theta energy: -27.350
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: 8
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -257.878957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.878957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.878957 (E_RNA)
where:
Base-Base interactions energy: -142.800
where: short stacking energy: -92.601
Base-Backbone interact. energy: -0.604
local terms energy: -114.474964
where:
bonds (distance) C4'-P energy: -21.572
bonds (distance) P-C4' energy: -24.755
flat angles C4'-P-C4' energy: -24.622
flat angles P-C4'-P energy: -23.159
tors. eta vs tors. theta energy: -20.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -163.657033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.657033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.657033 (E_RNA)
where:
Base-Base interactions energy: -60.379
where: short stacking energy: -59.004
Base-Backbone interact. energy: -0.862
local terms energy: -102.415471
where:
bonds (distance) C4'-P energy: -27.361
bonds (distance) P-C4' energy: -29.509
flat angles C4'-P-C4' energy: -25.606
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -10.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -156.152172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.152172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.152172 (E_RNA)
where:
Base-Base interactions energy: -58.366
where: short stacking energy: -47.345
Base-Backbone interact. energy: -1.673
local terms energy: -96.113557
where:
bonds (distance) C4'-P energy: -31.875
bonds (distance) P-C4' energy: -34.123
flat angles C4'-P-C4' energy: -23.407
flat angles P-C4'-P energy: -12.717
tors. eta vs tors. theta energy: 6.007
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: 6
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -527.052329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.052329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.052329 (E_RNA)
where:
Base-Base interactions energy: -359.697
where: short stacking energy: -164.864
Base-Backbone interact. energy: -0.470
local terms energy: -166.885514
where:
bonds (distance) C4'-P energy: -32.173
bonds (distance) P-C4' energy: -28.316
flat angles C4'-P-C4' energy: -34.991
flat angles P-C4'-P energy: -22.249
tors. eta vs tors. theta energy: -49.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -506.054001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.054001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.054001 (E_RNA)
where:
Base-Base interactions energy: -347.996
where: short stacking energy: -155.132
Base-Backbone interact. energy: -0.740
local terms energy: -157.318307
where:
bonds (distance) C4'-P energy: -31.097
bonds (distance) P-C4' energy: -32.032
flat angles C4'-P-C4' energy: -32.735
flat angles P-C4'-P energy: -21.928
tors. eta vs tors. theta energy: -39.527
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: 10
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -504.600475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.600475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.600475 (E_RNA)
where:
Base-Base interactions energy: -346.788
where: short stacking energy: -159.379
Base-Backbone interact. energy: -0.634
local terms energy: -157.178097
where:
bonds (distance) C4'-P energy: -27.817
bonds (distance) P-C4' energy: -30.491
flat angles C4'-P-C4' energy: -31.442
flat angles P-C4'-P energy: -21.042
tors. eta vs tors. theta energy: -46.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -422.185030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.185030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.185030 (E_RNA)
where:
Base-Base interactions energy: -279.830
where: short stacking energy: -113.507
Base-Backbone interact. energy: -0.154
local terms energy: -142.200614
where:
bonds (distance) C4'-P energy: -25.760
bonds (distance) P-C4' energy: -36.912
flat angles C4'-P-C4' energy: -25.164
flat angles P-C4'-P energy: -25.631
tors. eta vs tors. theta energy: -28.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -436.880678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.880678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.880678 (E_RNA)
where:
Base-Base interactions energy: -298.735
where: short stacking energy: -128.334
Base-Backbone interact. energy: -1.757
local terms energy: -136.388646
where:
bonds (distance) C4'-P energy: -25.970
bonds (distance) P-C4' energy: -30.594
flat angles C4'-P-C4' energy: -29.735
flat angles P-C4'-P energy: -18.785
tors. eta vs tors. theta energy: -31.303
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: 7
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -361.450436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.450436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.450436 (E_RNA)
where:
Base-Base interactions energy: -214.981
where: short stacking energy: -111.769
Base-Backbone interact. energy: -0.969
local terms energy: -145.500275
where:
bonds (distance) C4'-P energy: -29.625
bonds (distance) P-C4' energy: -33.225
flat angles C4'-P-C4' energy: -32.371
flat angles P-C4'-P energy: -16.890
tors. eta vs tors. theta energy: -33.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -325.139024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.139024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.139024 (E_RNA)
where:
Base-Base interactions energy: -204.325
where: short stacking energy: -96.001
Base-Backbone interact. energy: 5.141
local terms energy: -125.955848
where:
bonds (distance) C4'-P energy: -30.259
bonds (distance) P-C4' energy: -31.798
flat angles C4'-P-C4' energy: -34.727
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -20.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -239.463156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.463156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.463156 (E_RNA)
where:
Base-Base interactions energy: -141.657
where: short stacking energy: -69.661
Base-Backbone interact. energy: 0.190
local terms energy: -97.995744
where:
bonds (distance) C4'-P energy: -17.562
bonds (distance) P-C4' energy: -32.525
flat angles C4'-P-C4' energy: -21.959
flat angles P-C4'-P energy: -16.860
tors. eta vs tors. theta energy: -9.090
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: 9
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -159.013951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.013951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.013951 (E_RNA)
where:
Base-Base interactions energy: -77.386
where: short stacking energy: -69.423
Base-Backbone interact. energy: -0.264
local terms energy: -81.364387
where:
bonds (distance) C4'-P energy: -26.161
bonds (distance) P-C4' energy: -11.502
flat angles C4'-P-C4' energy: -20.128
flat angles P-C4'-P energy: -15.972
tors. eta vs tors. theta energy: -7.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -142.594602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.594602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.594602 (E_RNA)
where:
Base-Base interactions energy: -59.779
where: short stacking energy: -33.798
Base-Backbone interact. energy: -0.811
local terms energy: -82.004046
where:
bonds (distance) C4'-P energy: -18.937
bonds (distance) P-C4' energy: -26.868
flat angles C4'-P-C4' energy: -25.550
flat angles P-C4'-P energy: -19.187
tors. eta vs tors. theta energy: 8.539
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: 6
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -543.486721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.486721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.486721 (E_RNA)
where:
Base-Base interactions energy: -359.404
where: short stacking energy: -177.137
Base-Backbone interact. energy: -0.115
local terms energy: -183.968136
where:
bonds (distance) C4'-P energy: -34.765
bonds (distance) P-C4' energy: -32.562
flat angles C4'-P-C4' energy: -38.395
flat angles P-C4'-P energy: -26.333
tors. eta vs tors. theta energy: -51.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -507.234988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.234988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.234988 (E_RNA)
where:
Base-Base interactions energy: -338.876
where: short stacking energy: -159.121
Base-Backbone interact. energy: -1.414
local terms energy: -166.944883
where:
bonds (distance) C4'-P energy: -23.681
bonds (distance) P-C4' energy: -34.655
flat angles C4'-P-C4' energy: -39.979
flat angles P-C4'-P energy: -22.470
tors. eta vs tors. theta energy: -46.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -516.265482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.265482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.265482 (E_RNA)
where:
Base-Base interactions energy: -353.612
where: short stacking energy: -157.772
Base-Backbone interact. energy: -0.390
local terms energy: -162.263438
where:
bonds (distance) C4'-P energy: -28.015
bonds (distance) P-C4' energy: -34.507
flat angles C4'-P-C4' energy: -27.533
flat angles P-C4'-P energy: -25.608
tors. eta vs tors. theta energy: -46.601
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: 1
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -443.402154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.402154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.402154 (E_RNA)
where:
Base-Base interactions energy: -299.219
where: short stacking energy: -116.850
Base-Backbone interact. energy: -1.631
local terms energy: -142.552549
where:
bonds (distance) C4'-P energy: -32.669
bonds (distance) P-C4' energy: -31.779
flat angles C4'-P-C4' energy: -33.222
flat angles P-C4'-P energy: -19.716
tors. eta vs tors. theta energy: -25.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -435.248494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.248494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.248494 (E_RNA)
where:
Base-Base interactions energy: -297.022
where: short stacking energy: -136.966
Base-Backbone interact. energy: -0.848
local terms energy: -137.378200
where:
bonds (distance) C4'-P energy: -32.245
bonds (distance) P-C4' energy: -23.821
flat angles C4'-P-C4' energy: -34.312
flat angles P-C4'-P energy: -18.276
tors. eta vs tors. theta energy: -28.724
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: 6, replica: 7
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -340.761961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.761961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.761961 (E_RNA)
where:
Base-Base interactions energy: -205.444
where: short stacking energy: -106.796
Base-Backbone interact. energy: -0.089
local terms energy: -135.229349
where:
bonds (distance) C4'-P energy: -27.025
bonds (distance) P-C4' energy: -33.545
flat angles C4'-P-C4' energy: -31.079
flat angles P-C4'-P energy: -18.545
tors. eta vs tors. theta energy: -25.035
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: 7, replica: 3
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -328.585104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.585104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.585104 (E_RNA)
where:
Base-Base interactions energy: -215.531
where: short stacking energy: -96.384
Base-Backbone interact. energy: 2.769
local terms energy: -115.822972
where:
bonds (distance) C4'-P energy: -26.870
bonds (distance) P-C4' energy: -25.673
flat angles C4'-P-C4' energy: -32.786
flat angles P-C4'-P energy: -13.647
tors. eta vs tors. theta energy: -16.848
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: 8
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -276.170331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.170331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.170331 (E_RNA)
where:
Base-Base interactions energy: -168.323
where: short stacking energy: -77.477
Base-Backbone interact. energy: -0.042
local terms energy: -107.805721
where:
bonds (distance) C4'-P energy: -30.721
bonds (distance) P-C4' energy: -25.142
flat angles C4'-P-C4' energy: -26.131
flat angles P-C4'-P energy: -17.145
tors. eta vs tors. theta energy: -8.666
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: 9, replica: 4
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -164.509135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.509135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.509135 (E_RNA)
where:
Base-Base interactions energy: -58.262
where: short stacking energy: -56.859
Base-Backbone interact. energy: -0.700
local terms energy: -105.547838
where:
bonds (distance) C4'-P energy: -31.436
bonds (distance) P-C4' energy: -25.833
flat angles C4'-P-C4' energy: -24.461
flat angles P-C4'-P energy: -21.823
tors. eta vs tors. theta energy: -1.994
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: 9
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -140.336756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.336756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.336756 (E_RNA)
where:
Base-Base interactions energy: -58.531
where: short stacking energy: -57.285
Base-Backbone interact. energy: -0.493
local terms energy: -81.312805
where:
bonds (distance) C4'-P energy: -25.334
bonds (distance) P-C4' energy: -34.220
flat angles C4'-P-C4' energy: -18.396
flat angles P-C4'-P energy: -5.558
tors. eta vs tors. theta energy: 2.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -546.025479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.025479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.025479 (E_RNA)
where:
Base-Base interactions energy: -374.342
where: short stacking energy: -170.576
Base-Backbone interact. energy: -0.601
local terms energy: -171.082449
where:
bonds (distance) C4'-P energy: -27.516
bonds (distance) P-C4' energy: -31.683
flat angles C4'-P-C4' energy: -36.123
flat angles P-C4'-P energy: -26.428
tors. eta vs tors. theta energy: -49.333
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: 10
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -505.748119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.748119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.748119 (E_RNA)
where:
Base-Base interactions energy: -341.606
where: short stacking energy: -151.728
Base-Backbone interact. energy: -0.866
local terms energy: -163.276305
where:
bonds (distance) C4'-P energy: -32.056
bonds (distance) P-C4' energy: -31.616
flat angles C4'-P-C4' energy: -32.016
flat angles P-C4'-P energy: -26.128
tors. eta vs tors. theta energy: -41.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -517.394515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.394515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.394515 (E_RNA)
where:
Base-Base interactions energy: -346.771
where: short stacking energy: -155.749
Base-Backbone interact. energy: -0.522
local terms energy: -170.100927
where:
bonds (distance) C4'-P energy: -25.995
bonds (distance) P-C4' energy: -34.196
flat angles C4'-P-C4' energy: -34.380
flat angles P-C4'-P energy: -25.169
tors. eta vs tors. theta energy: -50.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -439.915801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.915801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.915801 (E_RNA)
where:
Base-Base interactions energy: -289.812
where: short stacking energy: -116.224
Base-Backbone interact. energy: -0.846
local terms energy: -149.257533
where:
bonds (distance) C4'-P energy: -26.158
bonds (distance) P-C4' energy: -31.190
flat angles C4'-P-C4' energy: -33.665
flat angles P-C4'-P energy: -21.414
tors. eta vs tors. theta energy: -36.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -438.041170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.041170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.041170 (E_RNA)
where:
Base-Base interactions energy: -301.155
where: short stacking energy: -125.851
Base-Backbone interact. energy: -0.526
local terms energy: -136.360050
where:
bonds (distance) C4'-P energy: -25.888
bonds (distance) P-C4' energy: -27.431
flat angles C4'-P-C4' energy: -30.310
flat angles P-C4'-P energy: -21.242
tors. eta vs tors. theta energy: -31.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -342.378972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.378972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.378972 (E_RNA)
where:
Base-Base interactions energy: -217.487
where: short stacking energy: -111.531
Base-Backbone interact. energy: -1.538
local terms energy: -123.353926
where:
bonds (distance) C4'-P energy: -25.496
bonds (distance) P-C4' energy: -28.412
flat angles C4'-P-C4' energy: -27.668
flat angles P-C4'-P energy: -14.469
tors. eta vs tors. theta energy: -27.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -341.993747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.993747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.993747 (E_RNA)
where:
Base-Base interactions energy: -215.314
where: short stacking energy: -110.776
Base-Backbone interact. energy: -1.127
local terms energy: -125.552630
where:
bonds (distance) C4'-P energy: -23.880
bonds (distance) P-C4' energy: -31.438
flat angles C4'-P-C4' energy: -27.348
flat angles P-C4'-P energy: -16.778
tors. eta vs tors. theta energy: -26.109
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: 8, replica: 8
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -275.140115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.140115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.140115 (E_RNA)
where:
Base-Base interactions energy: -174.758
where: short stacking energy: -86.920
Base-Backbone interact. energy: 0.236
local terms energy: -100.618414
where:
bonds (distance) C4'-P energy: -23.983
bonds (distance) P-C4' energy: -26.155
flat angles C4'-P-C4' energy: -22.234
flat angles P-C4'-P energy: -20.501
tors. eta vs tors. theta energy: -7.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -181.623065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.623065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.623065 (E_RNA)
where:
Base-Base interactions energy: -87.621
where: short stacking energy: -55.757
Base-Backbone interact. energy: -0.512
local terms energy: -93.490024
where:
bonds (distance) C4'-P energy: -26.709
bonds (distance) P-C4' energy: -27.060
flat angles C4'-P-C4' energy: -23.326
flat angles P-C4'-P energy: -16.197
tors. eta vs tors. theta energy: -0.198
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: 151
Temperature: 1.350000
Total energy: -141.097821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.097821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.097821 (E_RNA)
where:
Base-Base interactions energy: -50.140
where: short stacking energy: -38.163
Base-Backbone interact. energy: 0.102
local terms energy: -91.060386
where:
bonds (distance) C4'-P energy: -27.791
bonds (distance) P-C4' energy: -30.951
flat angles C4'-P-C4' energy: -25.423
flat angles P-C4'-P energy: -13.131
tors. eta vs tors. theta energy: 6.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -532.349045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.349045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.349045 (E_RNA)
where:
Base-Base interactions energy: -363.308
where: short stacking energy: -155.824
Base-Backbone interact. energy: -0.974
local terms energy: -168.066487
where:
bonds (distance) C4'-P energy: -30.314
bonds (distance) P-C4' energy: -32.772
flat angles C4'-P-C4' energy: -34.503
flat angles P-C4'-P energy: -21.432
tors. eta vs tors. theta energy: -49.046
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: 2, replica: 10
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -527.793529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.793529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.793529 (E_RNA)
where:
Base-Base interactions energy: -372.019
where: short stacking energy: -163.316
Base-Backbone interact. energy: -2.465
local terms energy: -153.310318
where:
bonds (distance) C4'-P energy: -23.680
bonds (distance) P-C4' energy: -29.731
flat angles C4'-P-C4' energy: -32.262
flat angles P-C4'-P energy: -22.499
tors. eta vs tors. theta energy: -45.138
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: 2
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -541.311509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.311509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.311509 (E_RNA)
where:
Base-Base interactions energy: -378.844
where: short stacking energy: -153.665
Base-Backbone interact. energy: -1.669
local terms energy: -160.798071
where:
bonds (distance) C4'-P energy: -25.794
bonds (distance) P-C4' energy: -28.218
flat angles C4'-P-C4' energy: -33.128
flat angles P-C4'-P energy: -26.497
tors. eta vs tors. theta energy: -47.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -459.335501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.335501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.335501 (E_RNA)
where:
Base-Base interactions energy: -304.233
where: short stacking energy: -134.833
Base-Backbone interact. energy: -1.212
local terms energy: -153.891272
where:
bonds (distance) C4'-P energy: -33.306
bonds (distance) P-C4' energy: -33.037
flat angles C4'-P-C4' energy: -34.351
flat angles P-C4'-P energy: -19.627
tors. eta vs tors. theta energy: -33.571
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: 1
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -456.769148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.769148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.769148 (E_RNA)
where:
Base-Base interactions energy: -304.568
where: short stacking energy: -146.775
Base-Backbone interact. energy: -0.652
local terms energy: -151.549151
where:
bonds (distance) C4'-P energy: -31.859
bonds (distance) P-C4' energy: -28.734
flat angles C4'-P-C4' energy: -29.859
flat angles P-C4'-P energy: -23.688
tors. eta vs tors. theta energy: -37.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -345.195679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.195679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.195679 (E_RNA)
where:
Base-Base interactions energy: -208.945
where: short stacking energy: -106.942
Base-Backbone interact. energy: -3.088
local terms energy: -133.162668
where:
bonds (distance) C4'-P energy: -23.442
bonds (distance) P-C4' energy: -33.885
flat angles C4'-P-C4' energy: -29.957
flat angles P-C4'-P energy: -21.676
tors. eta vs tors. theta energy: -24.203
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: 152
Temperature: 1.200000
Total energy: -311.450806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.450806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.450806 (E_RNA)
where:
Base-Base interactions energy: -186.062
where: short stacking energy: -87.340
Base-Backbone interact. energy: -1.109
local terms energy: -124.280149
where:
bonds (distance) C4'-P energy: -29.220
bonds (distance) P-C4' energy: -22.942
flat angles C4'-P-C4' energy: -24.603
flat angles P-C4'-P energy: -21.653
tors. eta vs tors. theta energy: -25.861
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: 8
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -245.668404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.668404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.668404 (E_RNA)
where:
Base-Base interactions energy: -136.744
where: short stacking energy: -78.031
Base-Backbone interact. energy: -1.010
local terms energy: -107.914675
where:
bonds (distance) C4'-P energy: -28.467
bonds (distance) P-C4' energy: -27.257
flat angles C4'-P-C4' energy: -21.520
flat angles P-C4'-P energy: -18.370
tors. eta vs tors. theta energy: -12.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -163.377322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.377322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.377322 (E_RNA)
where:
Base-Base interactions energy: -64.781
where: short stacking energy: -53.463
Base-Backbone interact. energy: -0.837
local terms energy: -97.759746
where:
bonds (distance) C4'-P energy: -33.879
bonds (distance) P-C4' energy: -24.327
flat angles C4'-P-C4' energy: -19.685
flat angles P-C4'-P energy: -18.465
tors. eta vs tors. theta energy: -1.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -160.833889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.833889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.833889 (E_RNA)
where:
Base-Base interactions energy: -72.055
where: short stacking energy: -68.874
Base-Backbone interact. energy: -0.385
local terms energy: -88.393307
where:
bonds (distance) C4'-P energy: -24.767
bonds (distance) P-C4' energy: -27.403
flat angles C4'-P-C4' energy: -17.966
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -9.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -538.119783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.119783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.119783 (E_RNA)
where:
Base-Base interactions energy: -375.653
where: short stacking energy: -170.208
Base-Backbone interact. energy: -0.236
local terms energy: -162.230593
where:
bonds (distance) C4'-P energy: -26.816
bonds (distance) P-C4' energy: -31.421
flat angles C4'-P-C4' energy: -36.374
flat angles P-C4'-P energy: -19.953
tors. eta vs tors. theta energy: -47.667
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: 2
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -527.980890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.980890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.980890 (E_RNA)
where:
Base-Base interactions energy: -363.939
where: short stacking energy: -168.085
Base-Backbone interact. energy: 3.558
local terms energy: -167.600134
where:
bonds (distance) C4'-P energy: -27.192
bonds (distance) P-C4' energy: -31.765
flat angles C4'-P-C4' energy: -35.153
flat angles P-C4'-P energy: -25.131
tors. eta vs tors. theta energy: -48.359
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: 153
Temperature: 1.000000
Total energy: -487.515955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.515955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.515955 (E_RNA)
where:
Base-Base interactions energy: -336.662
where: short stacking energy: -146.552
Base-Backbone interact. energy: -0.111
local terms energy: -150.743420
where:
bonds (distance) C4'-P energy: -26.732
bonds (distance) P-C4' energy: -31.575
flat angles C4'-P-C4' energy: -27.980
flat angles P-C4'-P energy: -22.583
tors. eta vs tors. theta energy: -41.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -444.959329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.959329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.959329 (E_RNA)
where:
Base-Base interactions energy: -306.849
where: short stacking energy: -143.586
Base-Backbone interact. energy: -0.452
local terms energy: -137.658299
where:
bonds (distance) C4'-P energy: -27.589
bonds (distance) P-C4' energy: -26.877
flat angles C4'-P-C4' energy: -28.475
flat angles P-C4'-P energy: -21.509
tors. eta vs tors. theta energy: -33.208
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: 5
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -459.086407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.086407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.086407 (E_RNA)
where:
Base-Base interactions energy: -313.801
where: short stacking energy: -133.545
Base-Backbone interact. energy: -1.538
local terms energy: -143.746998
where:
bonds (distance) C4'-P energy: -25.212
bonds (distance) P-C4' energy: -28.661
flat angles C4'-P-C4' energy: -28.801
flat angles P-C4'-P energy: -19.597
tors. eta vs tors. theta energy: -41.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -346.099419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.099419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.099419 (E_RNA)
where:
Base-Base interactions energy: -211.225
where: short stacking energy: -109.951
Base-Backbone interact. energy: -0.353
local terms energy: -134.521058
where:
bonds (distance) C4'-P energy: -24.555
bonds (distance) P-C4' energy: -36.892
flat angles C4'-P-C4' energy: -31.589
flat angles P-C4'-P energy: -20.029
tors. eta vs tors. theta energy: -21.456
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: 153
Temperature: 1.200000
Total energy: -336.819358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.819358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.819358 (E_RNA)
where:
Base-Base interactions energy: -198.144
where: short stacking energy: -92.164
Base-Backbone interact. energy: -1.143
local terms energy: -137.532105
where:
bonds (distance) C4'-P energy: -33.874
bonds (distance) P-C4' energy: -28.308
flat angles C4'-P-C4' energy: -26.532
flat angles P-C4'-P energy: -22.934
tors. eta vs tors. theta energy: -25.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -255.507079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.507079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.507079 (E_RNA)
where:
Base-Base interactions energy: -131.948
where: short stacking energy: -70.502
Base-Backbone interact. energy: -0.446
local terms energy: -123.112478
where:
bonds (distance) C4'-P energy: -36.485
bonds (distance) P-C4' energy: -27.061
flat angles C4'-P-C4' energy: -36.064
flat angles P-C4'-P energy: -14.332
tors. eta vs tors. theta energy: -9.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -159.073874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.073874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.073874 (E_RNA)
where:
Base-Base interactions energy: -56.368
where: short stacking energy: -44.926
Base-Backbone interact. energy: -1.836
local terms energy: -100.869536
where:
bonds (distance) C4'-P energy: -24.127
bonds (distance) P-C4' energy: -29.469
flat angles C4'-P-C4' energy: -20.225
flat angles P-C4'-P energy: -22.760
tors. eta vs tors. theta energy: -4.288
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: 4
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -158.796784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.796784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.796784 (E_RNA)
where:
Base-Base interactions energy: -58.360
where: short stacking energy: -54.561
Base-Backbone interact. energy: -0.222
local terms energy: -100.215531
where:
bonds (distance) C4'-P energy: -28.293
bonds (distance) P-C4' energy: -23.577
flat angles C4'-P-C4' energy: -31.125
flat angles P-C4'-P energy: -13.690
tors. eta vs tors. theta energy: -3.530
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: 2
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -544.769067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.769067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.769067 (E_RNA)
where:
Base-Base interactions energy: -369.323
where: short stacking energy: -163.162
Base-Backbone interact. energy: -1.821
local terms energy: -173.625397
where:
bonds (distance) C4'-P energy: -31.402
bonds (distance) P-C4' energy: -32.890
flat angles C4'-P-C4' energy: -33.131
flat angles P-C4'-P energy: -28.347
tors. eta vs tors. theta energy: -47.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -532.015438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.015438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.015438 (E_RNA)
where:
Base-Base interactions energy: -360.224
where: short stacking energy: -151.676
Base-Backbone interact. energy: -0.317
local terms energy: -171.473915
where:
bonds (distance) C4'-P energy: -28.563
bonds (distance) P-C4' energy: -31.724
flat angles C4'-P-C4' energy: -35.252
flat angles P-C4'-P energy: -26.766
tors. eta vs tors. theta energy: -49.168
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: 154
Temperature: 1.000000
Total energy: -495.026725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.026725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.026725 (E_RNA)
where:
Base-Base interactions energy: -331.301
where: short stacking energy: -146.989
Base-Backbone interact. energy: -0.993
local terms energy: -162.732531
where:
bonds (distance) C4'-P energy: -31.864
bonds (distance) P-C4' energy: -27.878
flat angles C4'-P-C4' energy: -35.960
flat angles P-C4'-P energy: -26.221
tors. eta vs tors. theta energy: -40.811
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: 1
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -456.893731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.893731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.893731 (E_RNA)
where:
Base-Base interactions energy: -296.703
where: short stacking energy: -139.020
Base-Backbone interact. energy: -1.478
local terms energy: -158.712144
where:
bonds (distance) C4'-P energy: -33.709
bonds (distance) P-C4' energy: -31.838
flat angles C4'-P-C4' energy: -34.059
flat angles P-C4'-P energy: -16.884
tors. eta vs tors. theta energy: -42.223
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: 5, replica: 5
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -424.629955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.629955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.629955 (E_RNA)
where:
Base-Base interactions energy: -273.661
where: short stacking energy: -122.944
Base-Backbone interact. energy: -0.062
local terms energy: -150.906681
where:
bonds (distance) C4'-P energy: -30.321
bonds (distance) P-C4' energy: -34.476
flat angles C4'-P-C4' energy: -34.105
flat angles P-C4'-P energy: -24.185
tors. eta vs tors. theta energy: -27.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -331.962476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.962476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.962476 (E_RNA)
where:
Base-Base interactions energy: -198.045
where: short stacking energy: -84.163
Base-Backbone interact. energy: -0.676
local terms energy: -133.240641
where:
bonds (distance) C4'-P energy: -28.311
bonds (distance) P-C4' energy: -25.719
flat angles C4'-P-C4' energy: -34.967
flat angles P-C4'-P energy: -20.494
tors. eta vs tors. theta energy: -23.750
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: 7
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -338.754490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.754490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.754490 (E_RNA)
where:
Base-Base interactions energy: -221.534
where: short stacking energy: -108.580
Base-Backbone interact. energy: -0.399
local terms energy: -116.820756
where:
bonds (distance) C4'-P energy: -28.927
bonds (distance) P-C4' energy: -21.380
flat angles C4'-P-C4' energy: -24.840
flat angles P-C4'-P energy: -15.765
tors. eta vs tors. theta energy: -25.908
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: 8
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -244.609375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.609375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.609375 (E_RNA)
where:
Base-Base interactions energy: -132.097
where: short stacking energy: -78.293
Base-Backbone interact. energy: -0.845
local terms energy: -111.667008
where:
bonds (distance) C4'-P energy: -26.415
bonds (distance) P-C4' energy: -27.951
flat angles C4'-P-C4' energy: -25.671
flat angles P-C4'-P energy: -17.464
tors. eta vs tors. theta energy: -14.166
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: 4
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -194.925448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.925448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.925448 (E_RNA)
where:
Base-Base interactions energy: -103.063
where: short stacking energy: -51.017
Base-Backbone interact. energy: -0.793
local terms energy: -91.069738
where:
bonds (distance) C4'-P energy: -21.746
bonds (distance) P-C4' energy: -29.835
flat angles C4'-P-C4' energy: -20.380
flat angles P-C4'-P energy: -12.554
tors. eta vs tors. theta energy: -6.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -155.781380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.781380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.781380 (E_RNA)
where:
Base-Base interactions energy: -78.769
where: short stacking energy: -50.040
Base-Backbone interact. energy: -0.107
local terms energy: -76.905659
where:
bonds (distance) C4'-P energy: -25.492
bonds (distance) P-C4' energy: -30.326
flat angles C4'-P-C4' energy: -8.691
flat angles P-C4'-P energy: -16.217
tors. eta vs tors. theta energy: 3.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -543.217663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.217663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.217663 (E_RNA)
where:
Base-Base interactions energy: -371.200
where: short stacking energy: -172.533
Base-Backbone interact. energy: -1.486
local terms energy: -170.532366
where:
bonds (distance) C4'-P energy: -34.033
bonds (distance) P-C4' energy: -32.682
flat angles C4'-P-C4' energy: -35.574
flat angles P-C4'-P energy: -22.133
tors. eta vs tors. theta energy: -46.109
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: 6
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -527.374639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.374639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.374639 (E_RNA)
where:
Base-Base interactions energy: -369.971
where: short stacking energy: -159.759
Base-Backbone interact. energy: -0.471
local terms energy: -156.931960
where:
bonds (distance) C4'-P energy: -22.393
bonds (distance) P-C4' energy: -26.246
flat angles C4'-P-C4' energy: -34.538
flat angles P-C4'-P energy: -25.686
tors. eta vs tors. theta energy: -48.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -501.412898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.412898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.412898 (E_RNA)
where:
Base-Base interactions energy: -332.302
where: short stacking energy: -157.431
Base-Backbone interact. energy: -0.778
local terms energy: -168.333478
where:
bonds (distance) C4'-P energy: -32.582
bonds (distance) P-C4' energy: -36.183
flat angles C4'-P-C4' energy: -31.295
flat angles P-C4'-P energy: -24.962
tors. eta vs tors. theta energy: -43.311
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: 1
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -478.004278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.004278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.004278 (E_RNA)
where:
Base-Base interactions energy: -311.180
where: short stacking energy: -166.992
Base-Backbone interact. energy: -0.146
local terms energy: -166.678698
where:
bonds (distance) C4'-P energy: -30.253
bonds (distance) P-C4' energy: -31.867
flat angles C4'-P-C4' energy: -36.091
flat angles P-C4'-P energy: -20.395
tors. eta vs tors. theta energy: -48.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -428.527376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.527376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.527376 (E_RNA)
where:
Base-Base interactions energy: -282.803
where: short stacking energy: -129.799
Base-Backbone interact. energy: -1.169
local terms energy: -144.556223
where:
bonds (distance) C4'-P energy: -30.784
bonds (distance) P-C4' energy: -32.927
flat angles C4'-P-C4' energy: -23.751
flat angles P-C4'-P energy: -16.956
tors. eta vs tors. theta energy: -40.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -344.737953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.737953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.737953 (E_RNA)
where:
Base-Base interactions energy: -213.489
where: short stacking energy: -96.599
Base-Backbone interact. energy: 1.212
local terms energy: -132.461088
where:
bonds (distance) C4'-P energy: -34.316
bonds (distance) P-C4' energy: -29.709
flat angles C4'-P-C4' energy: -22.713
flat angles P-C4'-P energy: -18.370
tors. eta vs tors. theta energy: -27.353
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: 155
Temperature: 1.200000
Total energy: -329.043115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.043115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.043115 (E_RNA)
where:
Base-Base interactions energy: -201.812
where: short stacking energy: -103.208
Base-Backbone interact. energy: 1.210
local terms energy: -128.441215
where:
bonds (distance) C4'-P energy: -21.795
bonds (distance) P-C4' energy: -27.345
flat angles C4'-P-C4' energy: -34.251
flat angles P-C4'-P energy: -18.711
tors. eta vs tors. theta energy: -26.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -243.359550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.359550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.359550 (E_RNA)
where:
Base-Base interactions energy: -127.040
where: short stacking energy: -73.785
Base-Backbone interact. energy: -0.412
local terms energy: -115.908002
where:
bonds (distance) C4'-P energy: -30.105
bonds (distance) P-C4' energy: -35.581
flat angles C4'-P-C4' energy: -31.543
flat angles P-C4'-P energy: -13.246
tors. eta vs tors. theta energy: -5.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -182.378342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.378342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.378342 (E_RNA)
where:
Base-Base interactions energy: -99.976
where: short stacking energy: -69.849
Base-Backbone interact. energy: -0.249
local terms energy: -82.153405
where:
bonds (distance) C4'-P energy: -19.919
bonds (distance) P-C4' energy: -30.232
flat angles C4'-P-C4' energy: -25.595
flat angles P-C4'-P energy: -7.928
tors. eta vs tors. theta energy: 1.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -140.007356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.007356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.007356 (E_RNA)
where:
Base-Base interactions energy: -41.609
where: short stacking energy: -36.688
Base-Backbone interact. energy: 0.351
local terms energy: -98.749660
where:
bonds (distance) C4'-P energy: -23.722
bonds (distance) P-C4' energy: -30.857
flat angles C4'-P-C4' energy: -29.469
flat angles P-C4'-P energy: -19.602
tors. eta vs tors. theta energy: 4.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -551.266180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.266180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.266180 (E_RNA)
where:
Base-Base interactions energy: -373.953
where: short stacking energy: -172.704
Base-Backbone interact. energy: -1.264
local terms energy: -176.048916
where:
bonds (distance) C4'-P energy: -31.314
bonds (distance) P-C4' energy: -30.731
flat angles C4'-P-C4' energy: -35.226
flat angles P-C4'-P energy: -27.458
tors. eta vs tors. theta energy: -51.320
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: 6
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -523.483700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.483700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.483700 (E_RNA)
where:
Base-Base interactions energy: -357.615
where: short stacking energy: -164.094
Base-Backbone interact. energy: -0.090
local terms energy: -165.779001
where:
bonds (distance) C4'-P energy: -33.857
bonds (distance) P-C4' energy: -28.157
flat angles C4'-P-C4' energy: -27.653
flat angles P-C4'-P energy: -25.945
tors. eta vs tors. theta energy: -50.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -465.433476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.433476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.433476 (E_RNA)
where:
Base-Base interactions energy: -297.819
where: short stacking energy: -146.832
Base-Backbone interact. energy: -0.863
local terms energy: -166.751424
where:
bonds (distance) C4'-P energy: -35.082
bonds (distance) P-C4' energy: -35.322
flat angles C4'-P-C4' energy: -32.070
flat angles P-C4'-P energy: -22.202
tors. eta vs tors. theta energy: -42.075
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: 10
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -493.767991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.767991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.767991 (E_RNA)
where:
Base-Base interactions energy: -317.905
where: short stacking energy: -130.855
Base-Backbone interact. energy: -3.010
local terms energy: -172.852595
where:
bonds (distance) C4'-P energy: -32.943
bonds (distance) P-C4' energy: -33.189
flat angles C4'-P-C4' energy: -37.092
flat angles P-C4'-P energy: -26.519
tors. eta vs tors. theta energy: -43.110
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: 5
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -403.191014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.191014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.191014 (E_RNA)
where:
Base-Base interactions energy: -262.651
where: short stacking energy: -120.481
Base-Backbone interact. energy: -0.217
local terms energy: -140.322901
where:
bonds (distance) C4'-P energy: -33.498
bonds (distance) P-C4' energy: -28.914
flat angles C4'-P-C4' energy: -26.306
flat angles P-C4'-P energy: -22.767
tors. eta vs tors. theta energy: -28.838
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: 6, replica: 3
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -356.713455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.713455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.713455 (E_RNA)
where:
Base-Base interactions energy: -209.375
where: short stacking energy: -119.261
Base-Backbone interact. energy: -0.150
local terms energy: -147.188536
where:
bonds (distance) C4'-P energy: -33.533
bonds (distance) P-C4' energy: -34.047
flat angles C4'-P-C4' energy: -32.609
flat angles P-C4'-P energy: -23.134
tors. eta vs tors. theta energy: -23.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -352.886254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.886254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.886254 (E_RNA)
where:
Base-Base interactions energy: -217.846
where: short stacking energy: -112.781
Base-Backbone interact. energy: -0.903
local terms energy: -134.137347
where:
bonds (distance) C4'-P energy: -29.191
bonds (distance) P-C4' energy: -28.666
flat angles C4'-P-C4' energy: -27.722
flat angles P-C4'-P energy: -17.223
tors. eta vs tors. theta energy: -31.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -254.467897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.467897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.467897 (E_RNA)
where:
Base-Base interactions energy: -149.907
where: short stacking energy: -68.146
Base-Backbone interact. energy: 1.196
local terms energy: -105.756986
where:
bonds (distance) C4'-P energy: -21.887
bonds (distance) P-C4' energy: -31.637
flat angles C4'-P-C4' energy: -24.295
flat angles P-C4'-P energy: -15.469
tors. eta vs tors. theta energy: -12.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -196.150067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.150067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.150067 (E_RNA)
where:
Base-Base interactions energy: -97.548
where: short stacking energy: -54.559
Base-Backbone interact. energy: 0.440
local terms energy: -99.041816
where:
bonds (distance) C4'-P energy: -27.993
bonds (distance) P-C4' energy: -31.380
flat angles C4'-P-C4' energy: -20.685
flat angles P-C4'-P energy: -15.139
tors. eta vs tors. theta energy: -3.846
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: 4
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -150.564454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.564454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.564454 (E_RNA)
where:
Base-Base interactions energy: -45.097
where: short stacking energy: -40.586
Base-Backbone interact. energy: 0.029
local terms energy: -105.496035
where:
bonds (distance) C4'-P energy: -27.452
bonds (distance) P-C4' energy: -31.554
flat angles C4'-P-C4' energy: -27.220
flat angles P-C4'-P energy: -16.243
tors. eta vs tors. theta energy: -3.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -537.476602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.476602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.476602 (E_RNA)
where:
Base-Base interactions energy: -361.345
where: short stacking energy: -173.252
Base-Backbone interact. energy: 0.568
local terms energy: -176.699809
where:
bonds (distance) C4'-P energy: -34.805
bonds (distance) P-C4' energy: -34.336
flat angles C4'-P-C4' energy: -38.076
flat angles P-C4'-P energy: -23.164
tors. eta vs tors. theta energy: -46.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -496.598555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.598555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.598555 (E_RNA)
where:
Base-Base interactions energy: -332.486
where: short stacking energy: -149.466
Base-Backbone interact. energy: -0.857
local terms energy: -163.255808
where:
bonds (distance) C4'-P energy: -28.095
bonds (distance) P-C4' energy: -35.157
flat angles C4'-P-C4' energy: -33.355
flat angles P-C4'-P energy: -21.709
tors. eta vs tors. theta energy: -44.940
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: 3, replica: 6
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -498.919580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.919580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.919580 (E_RNA)
where:
Base-Base interactions energy: -339.311
where: short stacking energy: -160.299
Base-Backbone interact. energy: -0.760
local terms energy: -158.848706
where:
bonds (distance) C4'-P energy: -28.212
bonds (distance) P-C4' energy: -28.319
flat angles C4'-P-C4' energy: -33.356
flat angles P-C4'-P energy: -23.673
tors. eta vs tors. theta energy: -45.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -479.266015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.266015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.266015 (E_RNA)
where:
Base-Base interactions energy: -321.633
where: short stacking energy: -146.341
Base-Backbone interact. energy: -0.491
local terms energy: -157.142279
where:
bonds (distance) C4'-P energy: -25.219
bonds (distance) P-C4' energy: -36.133
flat angles C4'-P-C4' energy: -30.744
flat angles P-C4'-P energy: -23.444
tors. eta vs tors. theta energy: -41.603
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: 5
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -424.426903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.426903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.426903 (E_RNA)
where:
Base-Base interactions energy: -287.838
where: short stacking energy: -125.331
Base-Backbone interact. energy: -1.977
local terms energy: -134.611917
where:
bonds (distance) C4'-P energy: -29.119
bonds (distance) P-C4' energy: -21.118
flat angles C4'-P-C4' energy: -34.996
flat angles P-C4'-P energy: -16.111
tors. eta vs tors. theta energy: -33.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -344.709110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.709110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.709110 (E_RNA)
where:
Base-Base interactions energy: -213.735
where: short stacking energy: -114.546
Base-Backbone interact. energy: -0.202
local terms energy: -130.771172
where:
bonds (distance) C4'-P energy: -30.327
bonds (distance) P-C4' energy: -25.508
flat angles C4'-P-C4' energy: -32.135
flat angles P-C4'-P energy: -18.448
tors. eta vs tors. theta energy: -24.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -350.670109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.670109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.670109 (E_RNA)
where:
Base-Base interactions energy: -222.924
where: short stacking energy: -99.119
Base-Backbone interact. energy: 0.871
local terms energy: -128.617866
where:
bonds (distance) C4'-P energy: -25.249
bonds (distance) P-C4' energy: -27.546
flat angles C4'-P-C4' energy: -26.716
flat angles P-C4'-P energy: -22.770
tors. eta vs tors. theta energy: -26.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -237.548351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.548351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.548351 (E_RNA)
where:
Base-Base interactions energy: -125.949
where: short stacking energy: -67.739
Base-Backbone interact. energy: -0.313
local terms energy: -111.286189
where:
bonds (distance) C4'-P energy: -26.253
bonds (distance) P-C4' energy: -25.801
flat angles C4'-P-C4' energy: -27.787
flat angles P-C4'-P energy: -21.651
tors. eta vs tors. theta energy: -9.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -212.435530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.435530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.435530 (E_RNA)
where:
Base-Base interactions energy: -107.227
where: short stacking energy: -66.632
Base-Backbone interact. energy: -0.121
local terms energy: -105.086969
where:
bonds (distance) C4'-P energy: -27.670
bonds (distance) P-C4' energy: -25.945
flat angles C4'-P-C4' energy: -31.142
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -8.996
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: 4
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -150.922871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.922871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.922871 (E_RNA)
where:
Base-Base interactions energy: -59.367
where: short stacking energy: -55.155
Base-Backbone interact. energy: 0.176
local terms energy: -91.732421
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -30.127
flat angles C4'-P-C4' energy: -27.554
flat angles P-C4'-P energy: -18.591
tors. eta vs tors. theta energy: 1.695
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: 1, replica: 2
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -530.351142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.351142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.351142 (E_RNA)
where:
Base-Base interactions energy: -360.529
where: short stacking energy: -163.359
Base-Backbone interact. energy: -0.983
local terms energy: -168.838722
where:
bonds (distance) C4'-P energy: -36.295
bonds (distance) P-C4' energy: -25.786
flat angles C4'-P-C4' energy: -35.654
flat angles P-C4'-P energy: -24.599
tors. eta vs tors. theta energy: -46.505
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: 1
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -479.499179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.499179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.499179 (E_RNA)
where:
Base-Base interactions energy: -325.845
where: short stacking energy: -152.776
Base-Backbone interact. energy: -0.264
local terms energy: -153.390602
where:
bonds (distance) C4'-P energy: -32.130
bonds (distance) P-C4' energy: -28.495
flat angles C4'-P-C4' energy: -33.333
flat angles P-C4'-P energy: -16.147
tors. eta vs tors. theta energy: -43.286
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: 6
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -511.863763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.863763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.863763 (E_RNA)
where:
Base-Base interactions energy: -348.090
where: short stacking energy: -160.095
Base-Backbone interact. energy: -0.214
local terms energy: -163.560267
where:
bonds (distance) C4'-P energy: -31.215
bonds (distance) P-C4' energy: -24.990
flat angles C4'-P-C4' energy: -28.698
flat angles P-C4'-P energy: -28.869
tors. eta vs tors. theta energy: -49.787
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: 158
Temperature: 1.050000
Total energy: -460.006242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.006242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.006242 (E_RNA)
where:
Base-Base interactions energy: -306.114
where: short stacking energy: -123.835
Base-Backbone interact. energy: -1.486
local terms energy: -152.406652
where:
bonds (distance) C4'-P energy: -26.202
bonds (distance) P-C4' energy: -33.287
flat angles C4'-P-C4' energy: -31.889
flat angles P-C4'-P energy: -23.371
tors. eta vs tors. theta energy: -37.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -420.837301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.837301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.837301 (E_RNA)
where:
Base-Base interactions energy: -279.883
where: short stacking energy: -135.481
Base-Backbone interact. energy: -0.681
local terms energy: -140.272593
where:
bonds (distance) C4'-P energy: -24.993
bonds (distance) P-C4' energy: -27.543
flat angles C4'-P-C4' energy: -29.544
flat angles P-C4'-P energy: -20.464
tors. eta vs tors. theta energy: -37.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -368.144173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.144173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.144173 (E_RNA)
where:
Base-Base interactions energy: -218.383
where: short stacking energy: -121.176
Base-Backbone interact. energy: -0.235
local terms energy: -149.526986
where:
bonds (distance) C4'-P energy: -33.944
bonds (distance) P-C4' energy: -35.893
flat angles C4'-P-C4' energy: -30.753
flat angles P-C4'-P energy: -18.065
tors. eta vs tors. theta energy: -30.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -329.735606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.735606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.735606 (E_RNA)
where:
Base-Base interactions energy: -193.930
where: short stacking energy: -109.791
Base-Backbone interact. energy: -0.245
local terms energy: -135.560752
where:
bonds (distance) C4'-P energy: -28.123
bonds (distance) P-C4' energy: -23.864
flat angles C4'-P-C4' energy: -32.972
flat angles P-C4'-P energy: -23.374
tors. eta vs tors. theta energy: -27.227
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: 8, replica: 8
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -253.467911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.467911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.467911 (E_RNA)
where:
Base-Base interactions energy: -124.962
where: short stacking energy: -75.944
Base-Backbone interact. energy: -0.044
local terms energy: -128.461904
where:
bonds (distance) C4'-P energy: -35.204
bonds (distance) P-C4' energy: -35.532
flat angles C4'-P-C4' energy: -26.547
flat angles P-C4'-P energy: -19.877
tors. eta vs tors. theta energy: -11.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -222.142194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.142194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.142194 (E_RNA)
where:
Base-Base interactions energy: -111.201
where: short stacking energy: -56.907
Base-Backbone interact. energy: -1.330
local terms energy: -109.611654
where:
bonds (distance) C4'-P energy: -23.193
bonds (distance) P-C4' energy: -28.721
flat angles C4'-P-C4' energy: -31.106
flat angles P-C4'-P energy: -15.407
tors. eta vs tors. theta energy: -11.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -167.993425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.993425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.993425 (E_RNA)
where:
Base-Base interactions energy: -73.904
where: short stacking energy: -38.888
Base-Backbone interact. energy: -0.653
local terms energy: -93.436627
where:
bonds (distance) C4'-P energy: -30.511
bonds (distance) P-C4' energy: -21.949
flat angles C4'-P-C4' energy: -23.913
flat angles P-C4'-P energy: -15.024
tors. eta vs tors. theta energy: -2.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -528.856100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.856100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.856100 (E_RNA)
where:
Base-Base interactions energy: -354.065
where: short stacking energy: -163.170
Base-Backbone interact. energy: -0.885
local terms energy: -173.905936
where:
bonds (distance) C4'-P energy: -32.106
bonds (distance) P-C4' energy: -32.421
flat angles C4'-P-C4' energy: -29.864
flat angles P-C4'-P energy: -28.517
tors. eta vs tors. theta energy: -50.999
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: 159
Temperature: 0.950000
Total energy: -516.337044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.337044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.337044 (E_RNA)
where:
Base-Base interactions energy: -346.217
where: short stacking energy: -159.143
Base-Backbone interact. energy: -0.927
local terms energy: -169.193563
where:
bonds (distance) C4'-P energy: -32.189
bonds (distance) P-C4' energy: -33.337
flat angles C4'-P-C4' energy: -30.348
flat angles P-C4'-P energy: -27.499
tors. eta vs tors. theta energy: -45.820
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: 1
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -460.158320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.158320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.158320 (E_RNA)
where:
Base-Base interactions energy: -303.206
where: short stacking energy: -126.711
Base-Backbone interact. energy: -0.726
local terms energy: -156.225827
where:
bonds (distance) C4'-P energy: -33.522
bonds (distance) P-C4' energy: -34.275
flat angles C4'-P-C4' energy: -35.399
flat angles P-C4'-P energy: -20.179
tors. eta vs tors. theta energy: -32.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -460.703559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.703559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.703559 (E_RNA)
where:
Base-Base interactions energy: -298.927
where: short stacking energy: -144.223
Base-Backbone interact. energy: 0.418
local terms energy: -162.194638
where:
bonds (distance) C4'-P energy: -32.585
bonds (distance) P-C4' energy: -26.223
flat angles C4'-P-C4' energy: -34.075
flat angles P-C4'-P energy: -27.822
tors. eta vs tors. theta energy: -41.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -448.745065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.745065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.745065 (E_RNA)
where:
Base-Base interactions energy: -307.433
where: short stacking energy: -143.348
Base-Backbone interact. energy: -0.177
local terms energy: -141.135054
where:
bonds (distance) C4'-P energy: -20.959
bonds (distance) P-C4' energy: -28.434
flat angles C4'-P-C4' energy: -34.081
flat angles P-C4'-P energy: -19.525
tors. eta vs tors. theta energy: -38.135
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: 6, replica: 7
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -357.408563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.408563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.408563 (E_RNA)
where:
Base-Base interactions energy: -223.500
where: short stacking energy: -128.958
Base-Backbone interact. energy: -0.252
local terms energy: -133.656937
where:
bonds (distance) C4'-P energy: -28.628
bonds (distance) P-C4' energy: -31.944
flat angles C4'-P-C4' energy: -25.512
flat angles P-C4'-P energy: -12.475
tors. eta vs tors. theta energy: -35.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -293.254135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.254135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.254135 (E_RNA)
where:
Base-Base interactions energy: -171.663
where: short stacking energy: -93.115
Base-Backbone interact. energy: -0.629
local terms energy: -120.961325
where:
bonds (distance) C4'-P energy: -30.631
bonds (distance) P-C4' energy: -27.342
flat angles C4'-P-C4' energy: -30.578
flat angles P-C4'-P energy: -12.532
tors. eta vs tors. theta energy: -19.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -253.141920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.141920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.141920 (E_RNA)
where:
Base-Base interactions energy: -125.800
where: short stacking energy: -74.892
Base-Backbone interact. energy: -0.929
local terms energy: -126.412563
where:
bonds (distance) C4'-P energy: -38.060
bonds (distance) P-C4' energy: -31.441
flat angles C4'-P-C4' energy: -28.491
flat angles P-C4'-P energy: -15.519
tors. eta vs tors. theta energy: -12.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -224.225322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.225322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.225322 (E_RNA)
where:
Base-Base interactions energy: -119.150
where: short stacking energy: -66.243
Base-Backbone interact. energy: 1.783
local terms energy: -106.857646
where:
bonds (distance) C4'-P energy: -26.679
bonds (distance) P-C4' energy: -33.915
flat angles C4'-P-C4' energy: -19.041
flat angles P-C4'-P energy: -14.631
tors. eta vs tors. theta energy: -12.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -147.550933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.550933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.550933 (E_RNA)
where:
Base-Base interactions energy: -53.285
where: short stacking energy: -41.011
Base-Backbone interact. energy: 0.710
local terms energy: -94.976299
where:
bonds (distance) C4'-P energy: -27.656
bonds (distance) P-C4' energy: -28.375
flat angles C4'-P-C4' energy: -28.976
flat angles P-C4'-P energy: -17.098
tors. eta vs tors. theta energy: 7.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -523.267896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.267896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.267896 (E_RNA)
where:
Base-Base interactions energy: -362.292
where: short stacking energy: -160.984
Base-Backbone interact. energy: -0.613
local terms energy: -160.363156
where:
bonds (distance) C4'-P energy: -24.985
bonds (distance) P-C4' energy: -27.185
flat angles C4'-P-C4' energy: -36.475
flat angles P-C4'-P energy: -23.767
tors. eta vs tors. theta energy: -47.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -515.347162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.347162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.347162 (E_RNA)
where:
Base-Base interactions energy: -340.100
where: short stacking energy: -165.517
Base-Backbone interact. energy: -0.318
local terms energy: -174.928799
where:
bonds (distance) C4'-P energy: -34.296
bonds (distance) P-C4' energy: -30.605
flat angles C4'-P-C4' energy: -34.427
flat angles P-C4'-P energy: -27.483
tors. eta vs tors. theta energy: -48.118
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: 5
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -475.959633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.959633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.959633 (E_RNA)
where:
Base-Base interactions energy: -312.200
where: short stacking energy: -161.824
Base-Backbone interact. energy: -0.057
local terms energy: -163.702240
where:
bonds (distance) C4'-P energy: -26.209
bonds (distance) P-C4' energy: -27.697
flat angles C4'-P-C4' energy: -31.978
flat angles P-C4'-P energy: -28.762
tors. eta vs tors. theta energy: -49.057
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: 1
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -454.410604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.410604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.410604 (E_RNA)
where:
Base-Base interactions energy: -308.779
where: short stacking energy: -145.473
Base-Backbone interact. energy: 1.274
local terms energy: -146.906326
where:
bonds (distance) C4'-P energy: -26.377
bonds (distance) P-C4' energy: -30.944
flat angles C4'-P-C4' energy: -31.608
flat angles P-C4'-P energy: -20.724
tors. eta vs tors. theta energy: -37.254
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: 160
Temperature: 1.100000
Total energy: -433.736899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.736899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.736899 (E_RNA)
where:
Base-Base interactions energy: -291.401
where: short stacking energy: -129.101
Base-Backbone interact. energy: -0.224
local terms energy: -142.111564
where:
bonds (distance) C4'-P energy: -27.384
bonds (distance) P-C4' energy: -31.471
flat angles C4'-P-C4' energy: -31.262
flat angles P-C4'-P energy: -19.753
tors. eta vs tors. theta energy: -32.242
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: 6, replica: 7
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -373.095508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.095508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.095508 (E_RNA)
where:
Base-Base interactions energy: -233.487
where: short stacking energy: -108.971
Base-Backbone interact. energy: -0.893
local terms energy: -138.716088
where:
bonds (distance) C4'-P energy: -31.736
bonds (distance) P-C4' energy: -24.621
flat angles C4'-P-C4' energy: -28.765
flat angles P-C4'-P energy: -27.665
tors. eta vs tors. theta energy: -25.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -262.120866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.120866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.120866 (E_RNA)
where:
Base-Base interactions energy: -131.113
where: short stacking energy: -92.661
Base-Backbone interact. energy: 0.821
local terms energy: -131.828665
where:
bonds (distance) C4'-P energy: -29.621
bonds (distance) P-C4' energy: -33.931
flat angles C4'-P-C4' energy: -34.653
flat angles P-C4'-P energy: -16.864
tors. eta vs tors. theta energy: -16.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -281.281754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.281754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.281754 (E_RNA)
where:
Base-Base interactions energy: -164.609
where: short stacking energy: -97.322
Base-Backbone interact. energy: -0.151
local terms energy: -116.521993
where:
bonds (distance) C4'-P energy: -24.996
bonds (distance) P-C4' energy: -30.719
flat angles C4'-P-C4' energy: -26.037
flat angles P-C4'-P energy: -20.283
tors. eta vs tors. theta energy: -14.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -212.021739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.021739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.021739 (E_RNA)
where:
Base-Base interactions energy: -108.499
where: short stacking energy: -61.585
Base-Backbone interact. energy: 0.164
local terms energy: -103.686971
where:
bonds (distance) C4'-P energy: -31.085
bonds (distance) P-C4' energy: -29.102
flat angles C4'-P-C4' energy: -27.236
flat angles P-C4'-P energy: -13.055
tors. eta vs tors. theta energy: -3.209
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: 4
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -162.106173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.106173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.106173 (E_RNA)
where:
Base-Base interactions energy: -67.456
where: short stacking energy: -53.308
Base-Backbone interact. energy: -0.631
local terms energy: -94.018944
where:
bonds (distance) C4'-P energy: -21.900
bonds (distance) P-C4' energy: -28.609
flat angles C4'-P-C4' energy: -25.833
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: -5.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -535.053910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.053910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.053910 (E_RNA)
where:
Base-Base interactions energy: -368.670
where: short stacking energy: -165.598
Base-Backbone interact. energy: -0.072
local terms energy: -166.311448
where:
bonds (distance) C4'-P energy: -27.579
bonds (distance) P-C4' energy: -38.888
flat angles C4'-P-C4' energy: -34.659
flat angles P-C4'-P energy: -20.681
tors. eta vs tors. theta energy: -44.505
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: 2
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -510.595639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.595639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.595639 (E_RNA)
where:
Base-Base interactions energy: -354.375
where: short stacking energy: -170.792
Base-Backbone interact. energy: -0.263
local terms energy: -155.958231
where:
bonds (distance) C4'-P energy: -23.250
bonds (distance) P-C4' energy: -33.382
flat angles C4'-P-C4' energy: -33.869
flat angles P-C4'-P energy: -21.554
tors. eta vs tors. theta energy: -43.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -476.097802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.097802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.097802 (E_RNA)
where:
Base-Base interactions energy: -306.060
where: short stacking energy: -148.690
Base-Backbone interact. energy: 2.018
local terms energy: -172.056250
where:
bonds (distance) C4'-P energy: -30.924
bonds (distance) P-C4' energy: -33.981
flat angles C4'-P-C4' energy: -37.411
flat angles P-C4'-P energy: -26.167
tors. eta vs tors. theta energy: -43.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -440.980788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.980788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.980788 (E_RNA)
where:
Base-Base interactions energy: -291.273
where: short stacking energy: -131.374
Base-Backbone interact. energy: -0.476
local terms energy: -149.231588
where:
bonds (distance) C4'-P energy: -23.114
bonds (distance) P-C4' energy: -36.261
flat angles C4'-P-C4' energy: -36.530
flat angles P-C4'-P energy: -20.256
tors. eta vs tors. theta energy: -33.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -428.459081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.459081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.459081 (E_RNA)
where:
Base-Base interactions energy: -281.015
where: short stacking energy: -123.498
Base-Backbone interact. energy: -1.272
local terms energy: -146.172144
where:
bonds (distance) C4'-P energy: -31.144
bonds (distance) P-C4' energy: -30.650
flat angles C4'-P-C4' energy: -29.219
flat angles P-C4'-P energy: -18.687
tors. eta vs tors. theta energy: -36.473
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: 7
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -351.042019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.042019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.042019 (E_RNA)
where:
Base-Base interactions energy: -228.762
where: short stacking energy: -105.988
Base-Backbone interact. energy: -0.772
local terms energy: -121.507139
where:
bonds (distance) C4'-P energy: -30.850
bonds (distance) P-C4' energy: -24.441
flat angles C4'-P-C4' energy: -21.962
flat angles P-C4'-P energy: -16.781
tors. eta vs tors. theta energy: -27.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -240.698077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.698077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.698077 (E_RNA)
where:
Base-Base interactions energy: -131.624
where: short stacking energy: -80.894
Base-Backbone interact. energy: -1.337
local terms energy: -107.736694
where:
bonds (distance) C4'-P energy: -28.187
bonds (distance) P-C4' energy: -29.899
flat angles C4'-P-C4' energy: -21.908
flat angles P-C4'-P energy: -19.862
tors. eta vs tors. theta energy: -7.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -319.014787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.014787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.014787 (E_RNA)
where:
Base-Base interactions energy: -200.017
where: short stacking energy: -81.941
Base-Backbone interact. energy: -1.139
local terms energy: -117.858882
where:
bonds (distance) C4'-P energy: -26.465
bonds (distance) P-C4' energy: -27.174
flat angles C4'-P-C4' energy: -26.908
flat angles P-C4'-P energy: -18.385
tors. eta vs tors. theta energy: -18.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -231.755594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.755594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.755594 (E_RNA)
where:
Base-Base interactions energy: -122.038
where: short stacking energy: -74.742
Base-Backbone interact. energy: -1.147
local terms energy: -108.570333
where:
bonds (distance) C4'-P energy: -28.509
bonds (distance) P-C4' energy: -29.181
flat angles C4'-P-C4' energy: -17.233
flat angles P-C4'-P energy: -23.462
tors. eta vs tors. theta energy: -10.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -154.862141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.862141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.862141 (E_RNA)
where:
Base-Base interactions energy: -61.051
where: short stacking energy: -59.479
Base-Backbone interact. energy: -0.110
local terms energy: -93.701788
where:
bonds (distance) C4'-P energy: -24.079
bonds (distance) P-C4' energy: -30.327
flat angles C4'-P-C4' energy: -21.228
flat angles P-C4'-P energy: -18.679
tors. eta vs tors. theta energy: 0.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -524.301801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.301801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.301801 (E_RNA)
where:
Base-Base interactions energy: -361.020
where: short stacking energy: -165.454
Base-Backbone interact. energy: -0.006
local terms energy: -163.275634
where:
bonds (distance) C4'-P energy: -29.155
bonds (distance) P-C4' energy: -29.214
flat angles C4'-P-C4' energy: -36.169
flat angles P-C4'-P energy: -22.489
tors. eta vs tors. theta energy: -46.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -536.384985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.384985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.384985 (E_RNA)
where:
Base-Base interactions energy: -359.526
where: short stacking energy: -171.128
Base-Backbone interact. energy: -0.298
local terms energy: -176.560476
where:
bonds (distance) C4'-P energy: -32.166
bonds (distance) P-C4' energy: -35.535
flat angles C4'-P-C4' energy: -26.269
flat angles P-C4'-P energy: -30.278
tors. eta vs tors. theta energy: -52.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -449.910513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.910513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.910513 (E_RNA)
where:
Base-Base interactions energy: -296.207
where: short stacking energy: -129.296
Base-Backbone interact. energy: -0.197
local terms energy: -153.505820
where:
bonds (distance) C4'-P energy: -29.784
bonds (distance) P-C4' energy: -26.919
flat angles C4'-P-C4' energy: -36.575
flat angles P-C4'-P energy: -22.167
tors. eta vs tors. theta energy: -38.061
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: 162
Temperature: 1.050000
Total energy: -444.914515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.914515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.914515 (E_RNA)
where:
Base-Base interactions energy: -307.691
where: short stacking energy: -126.754
Base-Backbone interact. energy: -0.341
local terms energy: -136.882504
where:
bonds (distance) C4'-P energy: -33.189
bonds (distance) P-C4' energy: -32.146
flat angles C4'-P-C4' energy: -27.633
flat angles P-C4'-P energy: -19.451
tors. eta vs tors. theta energy: -24.464
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: 1
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -426.713918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.713918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.713918 (E_RNA)
where:
Base-Base interactions energy: -282.011
where: short stacking energy: -131.946
Base-Backbone interact. energy: -0.606
local terms energy: -144.096798
where:
bonds (distance) C4'-P energy: -23.509
bonds (distance) P-C4' energy: -27.589
flat angles C4'-P-C4' energy: -38.522
flat angles P-C4'-P energy: -18.043
tors. eta vs tors. theta energy: -36.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -337.556472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.556472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.556472 (E_RNA)
where:
Base-Base interactions energy: -213.975
where: short stacking energy: -94.371
Base-Backbone interact. energy: -0.941
local terms energy: -122.640704
where:
bonds (distance) C4'-P energy: -23.573
bonds (distance) P-C4' energy: -30.015
flat angles C4'-P-C4' energy: -26.495
flat angles P-C4'-P energy: -20.500
tors. eta vs tors. theta energy: -22.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -339.314513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.314513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.314513 (E_RNA)
where:
Base-Base interactions energy: -202.068
where: short stacking energy: -114.182
Base-Backbone interact. energy: 0.295
local terms energy: -137.541305
where:
bonds (distance) C4'-P energy: -27.756
bonds (distance) P-C4' energy: -28.584
flat angles C4'-P-C4' energy: -30.552
flat angles P-C4'-P energy: -16.887
tors. eta vs tors. theta energy: -33.763
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: 9
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -231.639429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.639429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.639429 (E_RNA)
where:
Base-Base interactions energy: -120.912
where: short stacking energy: -81.739
Base-Backbone interact. energy: -0.672
local terms energy: -110.055371
where:
bonds (distance) C4'-P energy: -26.729
bonds (distance) P-C4' energy: -27.747
flat angles C4'-P-C4' energy: -26.120
flat angles P-C4'-P energy: -15.829
tors. eta vs tors. theta energy: -13.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -233.829034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.829034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.829034 (E_RNA)
where:
Base-Base interactions energy: -118.521
where: short stacking energy: -71.830
Base-Backbone interact. energy: 0.149
local terms energy: -115.457363
where:
bonds (distance) C4'-P energy: -31.724
bonds (distance) P-C4' energy: -31.786
flat angles C4'-P-C4' energy: -24.616
flat angles P-C4'-P energy: -16.587
tors. eta vs tors. theta energy: -10.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -146.452999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.452999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.452999 (E_RNA)
where:
Base-Base interactions energy: -49.398
where: short stacking energy: -49.470
Base-Backbone interact. energy: -0.611
local terms energy: -96.443202
where:
bonds (distance) C4'-P energy: -27.926
bonds (distance) P-C4' energy: -31.703
flat angles C4'-P-C4' energy: -19.346
flat angles P-C4'-P energy: -14.274
tors. eta vs tors. theta energy: -3.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -524.057685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.057685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.057685 (E_RNA)
where:
Base-Base interactions energy: -352.308
where: short stacking energy: -161.311
Base-Backbone interact. energy: -0.662
local terms energy: -171.087235
where:
bonds (distance) C4'-P energy: -33.555
bonds (distance) P-C4' energy: -33.262
flat angles C4'-P-C4' energy: -37.090
flat angles P-C4'-P energy: -20.727
tors. eta vs tors. theta energy: -46.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -535.044777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.044777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.044777 (E_RNA)
where:
Base-Base interactions energy: -359.266
where: short stacking energy: -174.422
Base-Backbone interact. energy: -0.057
local terms energy: -175.721756
where:
bonds (distance) C4'-P energy: -26.886
bonds (distance) P-C4' energy: -36.969
flat angles C4'-P-C4' energy: -37.136
flat angles P-C4'-P energy: -26.477
tors. eta vs tors. theta energy: -48.253
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: 5
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -478.723611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.723611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.723611 (E_RNA)
where:
Base-Base interactions energy: -317.952
where: short stacking energy: -138.930
Base-Backbone interact. energy: -0.556
local terms energy: -160.216058
where:
bonds (distance) C4'-P energy: -28.251
bonds (distance) P-C4' energy: -33.717
flat angles C4'-P-C4' energy: -29.531
flat angles P-C4'-P energy: -24.380
tors. eta vs tors. theta energy: -44.337
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: 1
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -433.066488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.066488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.066488 (E_RNA)
where:
Base-Base interactions energy: -282.611
where: short stacking energy: -132.618
Base-Backbone interact. energy: -2.323
local terms energy: -148.132713
where:
bonds (distance) C4'-P energy: -25.503
bonds (distance) P-C4' energy: -34.199
flat angles C4'-P-C4' energy: -33.788
flat angles P-C4'-P energy: -18.848
tors. eta vs tors. theta energy: -35.794
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: 10
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -425.227365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.227365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.227365 (E_RNA)
where:
Base-Base interactions energy: -283.016
where: short stacking energy: -125.917
Base-Backbone interact. energy: -1.332
local terms energy: -140.880174
where:
bonds (distance) C4'-P energy: -25.627
bonds (distance) P-C4' energy: -28.329
flat angles C4'-P-C4' energy: -30.296
flat angles P-C4'-P energy: -24.336
tors. eta vs tors. theta energy: -32.293
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: 7
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -344.130730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.130730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.130730 (E_RNA)
where:
Base-Base interactions energy: -216.975
where: short stacking energy: -98.830
Base-Backbone interact. energy: -0.719
local terms energy: -126.435990
where:
bonds (distance) C4'-P energy: -26.380
bonds (distance) P-C4' energy: -27.471
flat angles C4'-P-C4' energy: -25.250
flat angles P-C4'-P energy: -24.334
tors. eta vs tors. theta energy: -23.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -339.653742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.653742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.653742 (E_RNA)
where:
Base-Base interactions energy: -222.454
where: short stacking energy: -83.847
Base-Backbone interact. energy: -0.068
local terms energy: -117.132150
where:
bonds (distance) C4'-P energy: -33.234
bonds (distance) P-C4' energy: -34.619
flat angles C4'-P-C4' energy: -22.539
flat angles P-C4'-P energy: -13.937
tors. eta vs tors. theta energy: -12.804
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: 8
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -224.303104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.303104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.303104 (E_RNA)
where:
Base-Base interactions energy: -122.230
where: short stacking energy: -71.261
Base-Backbone interact. energy: -0.940
local terms energy: -101.133166
where:
bonds (distance) C4'-P energy: -31.779
bonds (distance) P-C4' energy: -20.604
flat angles C4'-P-C4' energy: -28.207
flat angles P-C4'-P energy: -13.626
tors. eta vs tors. theta energy: -6.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -230.178175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.178175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.178175 (E_RNA)
where:
Base-Base interactions energy: -126.623
where: short stacking energy: -73.222
Base-Backbone interact. energy: 0.666
local terms energy: -104.220713
where:
bonds (distance) C4'-P energy: -23.032
bonds (distance) P-C4' energy: -23.955
flat angles C4'-P-C4' energy: -28.279
flat angles P-C4'-P energy: -15.407
tors. eta vs tors. theta energy: -13.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -158.993787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.993787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.993787 (E_RNA)
where:
Base-Base interactions energy: -55.137
where: short stacking energy: -47.481
Base-Backbone interact. energy: 1.921
local terms energy: -105.778461
where:
bonds (distance) C4'-P energy: -31.967
bonds (distance) P-C4' energy: -32.759
flat angles C4'-P-C4' energy: -29.617
flat angles P-C4'-P energy: -4.148
tors. eta vs tors. theta energy: -7.288
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: 1, replica: 6
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -540.191160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.191160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.191160 (E_RNA)
where:
Base-Base interactions energy: -364.124
where: short stacking energy: -173.096
Base-Backbone interact. energy: -0.428
local terms energy: -175.639550
where:
bonds (distance) C4'-P energy: -32.835
bonds (distance) P-C4' energy: -32.478
flat angles C4'-P-C4' energy: -36.312
flat angles P-C4'-P energy: -21.765
tors. eta vs tors. theta energy: -52.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -521.149169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.149169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.149169 (E_RNA)
where:
Base-Base interactions energy: -352.375
where: short stacking energy: -160.100
Base-Backbone interact. energy: -1.855
local terms energy: -166.919914
where:
bonds (distance) C4'-P energy: -34.655
bonds (distance) P-C4' energy: -31.136
flat angles C4'-P-C4' energy: -33.113
flat angles P-C4'-P energy: -24.035
tors. eta vs tors. theta energy: -43.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -463.837419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.837419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.837419 (E_RNA)
where:
Base-Base interactions energy: -304.885
where: short stacking energy: -142.440
Base-Backbone interact. energy: -0.060
local terms energy: -158.892209
where:
bonds (distance) C4'-P energy: -26.439
bonds (distance) P-C4' energy: -32.281
flat angles C4'-P-C4' energy: -35.379
flat angles P-C4'-P energy: -19.175
tors. eta vs tors. theta energy: -45.618
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: 1
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -430.610995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.610995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.610995 (E_RNA)
where:
Base-Base interactions energy: -275.859
where: short stacking energy: -142.518
Base-Backbone interact. energy: -0.838
local terms energy: -153.914810
where:
bonds (distance) C4'-P energy: -29.000
bonds (distance) P-C4' energy: -35.930
flat angles C4'-P-C4' energy: -32.585
flat angles P-C4'-P energy: -19.760
tors. eta vs tors. theta energy: -36.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -444.541704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.541704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.541704 (E_RNA)
where:
Base-Base interactions energy: -300.116
where: short stacking energy: -128.635
Base-Backbone interact. energy: -0.250
local terms energy: -144.175722
where:
bonds (distance) C4'-P energy: -30.767
bonds (distance) P-C4' energy: -37.055
flat angles C4'-P-C4' energy: -24.832
flat angles P-C4'-P energy: -14.062
tors. eta vs tors. theta energy: -37.460
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: 7
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -379.262302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.262302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.262302 (E_RNA)
where:
Base-Base interactions energy: -240.565
where: short stacking energy: -97.449
Base-Backbone interact. energy: -2.107
local terms energy: -136.591124
where:
bonds (distance) C4'-P energy: -33.315
bonds (distance) P-C4' energy: -31.225
flat angles C4'-P-C4' energy: -33.963
flat angles P-C4'-P energy: -14.295
tors. eta vs tors. theta energy: -23.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -242.448047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.448047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.448047 (E_RNA)
where:
Base-Base interactions energy: -124.896
where: short stacking energy: -68.153
Base-Backbone interact. energy: -0.307
local terms energy: -117.245471
where:
bonds (distance) C4'-P energy: -27.817
bonds (distance) P-C4' energy: -32.794
flat angles C4'-P-C4' energy: -27.296
flat angles P-C4'-P energy: -16.551
tors. eta vs tors. theta energy: -12.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -335.240915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.240915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.240915 (E_RNA)
where:
Base-Base interactions energy: -220.351
where: short stacking energy: -102.632
Base-Backbone interact. energy: -0.290
local terms energy: -114.599867
where:
bonds (distance) C4'-P energy: -32.468
bonds (distance) P-C4' energy: -29.681
flat angles C4'-P-C4' energy: -27.138
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -13.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -193.376875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.376875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.376875 (E_RNA)
where:
Base-Base interactions energy: -82.743
where: short stacking energy: -65.744
Base-Backbone interact. energy: -0.326
local terms energy: -110.308298
where:
bonds (distance) C4'-P energy: -27.663
bonds (distance) P-C4' energy: -28.033
flat angles C4'-P-C4' energy: -27.489
flat angles P-C4'-P energy: -18.552
tors. eta vs tors. theta energy: -8.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -212.165020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.165020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.165020 (E_RNA)
where:
Base-Base interactions energy: -115.202
where: short stacking energy: -63.823
Base-Backbone interact. energy: 2.728
local terms energy: -99.691435
where:
bonds (distance) C4'-P energy: -26.000
bonds (distance) P-C4' energy: -29.078
flat angles C4'-P-C4' energy: -31.483
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -2.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -536.820188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.820188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.820188 (E_RNA)
where:
Base-Base interactions energy: -361.615
where: short stacking energy: -159.550
Base-Backbone interact. energy: -0.280
local terms energy: -174.925290
where:
bonds (distance) C4'-P energy: -28.261
bonds (distance) P-C4' energy: -36.169
flat angles C4'-P-C4' energy: -31.134
flat angles P-C4'-P energy: -29.882
tors. eta vs tors. theta energy: -49.479
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: 2
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -508.056517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.056517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.056517 (E_RNA)
where:
Base-Base interactions energy: -331.944
where: short stacking energy: -150.546
Base-Backbone interact. energy: -0.275
local terms energy: -175.837916
where:
bonds (distance) C4'-P energy: -31.122
bonds (distance) P-C4' energy: -37.033
flat angles C4'-P-C4' energy: -35.716
flat angles P-C4'-P energy: -26.823
tors. eta vs tors. theta energy: -45.144
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: 3, replica: 5
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -467.259770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.259770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.259770 (E_RNA)
where:
Base-Base interactions energy: -300.128
where: short stacking energy: -132.870
Base-Backbone interact. energy: -2.540
local terms energy: -164.591808
where:
bonds (distance) C4'-P energy: -28.548
bonds (distance) P-C4' energy: -34.056
flat angles C4'-P-C4' energy: -35.302
flat angles P-C4'-P energy: -28.313
tors. eta vs tors. theta energy: -38.374
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: 4, replica: 10
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -465.338150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.338150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.338150 (E_RNA)
where:
Base-Base interactions energy: -298.574
where: short stacking energy: -142.689
Base-Backbone interact. energy: -0.170
local terms energy: -166.594244
where:
bonds (distance) C4'-P energy: -28.959
bonds (distance) P-C4' energy: -39.360
flat angles C4'-P-C4' energy: -31.237
flat angles P-C4'-P energy: -22.791
tors. eta vs tors. theta energy: -44.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -416.834023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.834023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.834023 (E_RNA)
where:
Base-Base interactions energy: -283.566
where: short stacking energy: -130.744
Base-Backbone interact. energy: -0.405
local terms energy: -132.863068
where:
bonds (distance) C4'-P energy: -24.984
bonds (distance) P-C4' energy: -24.739
flat angles C4'-P-C4' energy: -30.547
flat angles P-C4'-P energy: -23.993
tors. eta vs tors. theta energy: -28.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -391.670287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.670287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.670287 (E_RNA)
where:
Base-Base interactions energy: -242.248
where: short stacking energy: -121.008
Base-Backbone interact. energy: -0.865
local terms energy: -148.557448
where:
bonds (distance) C4'-P energy: -33.773
bonds (distance) P-C4' energy: -30.124
flat angles C4'-P-C4' energy: -33.171
flat angles P-C4'-P energy: -16.359
tors. eta vs tors. theta energy: -35.130
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: 8
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -281.139695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.139695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.139695 (E_RNA)
where:
Base-Base interactions energy: -158.948
where: short stacking energy: -89.453
Base-Backbone interact. energy: -0.364
local terms energy: -121.828034
where:
bonds (distance) C4'-P energy: -29.325
bonds (distance) P-C4' energy: -22.994
flat angles C4'-P-C4' energy: -32.965
flat angles P-C4'-P energy: -17.620
tors. eta vs tors. theta energy: -18.925
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: 3
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -326.905256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.905256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.905256 (E_RNA)
where:
Base-Base interactions energy: -209.339
where: short stacking energy: -98.637
Base-Backbone interact. energy: -0.914
local terms energy: -116.652407
where:
bonds (distance) C4'-P energy: -26.748
bonds (distance) P-C4' energy: -22.450
flat angles C4'-P-C4' energy: -30.625
flat angles P-C4'-P energy: -14.730
tors. eta vs tors. theta energy: -22.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -177.677431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.677431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.677431 (E_RNA)
where:
Base-Base interactions energy: -92.556
where: short stacking energy: -62.983
Base-Backbone interact. energy: -0.024
local terms energy: -85.097132
where:
bonds (distance) C4'-P energy: -24.972
bonds (distance) P-C4' energy: -26.324
flat angles C4'-P-C4' energy: -23.103
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -0.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -200.335327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.335327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.335327 (E_RNA)
where:
Base-Base interactions energy: -94.192
where: short stacking energy: -64.978
Base-Backbone interact. energy: 2.956
local terms energy: -109.099943
where:
bonds (distance) C4'-P energy: -29.939
bonds (distance) P-C4' energy: -25.861
flat angles C4'-P-C4' energy: -29.612
flat angles P-C4'-P energy: -14.363
tors. eta vs tors. theta energy: -9.324
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: 1, replica: 6
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -518.460057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.460057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.460057 (E_RNA)
where:
Base-Base interactions energy: -347.933
where: short stacking energy: -163.021
Base-Backbone interact. energy: -0.718
local terms energy: -169.809682
where:
bonds (distance) C4'-P energy: -33.281
bonds (distance) P-C4' energy: -34.803
flat angles C4'-P-C4' energy: -31.775
flat angles P-C4'-P energy: -23.529
tors. eta vs tors. theta energy: -46.422
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: 2, replica: 2
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -499.573278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.573278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.573278 (E_RNA)
where:
Base-Base interactions energy: -339.505
where: short stacking energy: -150.671
Base-Backbone interact. energy: -0.081
local terms energy: -159.986559
where:
bonds (distance) C4'-P energy: -28.358
bonds (distance) P-C4' energy: -32.751
flat angles C4'-P-C4' energy: -33.341
flat angles P-C4'-P energy: -23.422
tors. eta vs tors. theta energy: -42.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -470.554045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.554045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.554045 (E_RNA)
where:
Base-Base interactions energy: -310.376
where: short stacking energy: -152.700
Base-Backbone interact. energy: 0.241
local terms energy: -160.419155
where:
bonds (distance) C4'-P energy: -25.391
bonds (distance) P-C4' energy: -31.864
flat angles C4'-P-C4' energy: -29.869
flat angles P-C4'-P energy: -27.236
tors. eta vs tors. theta energy: -46.059
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: 5
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -458.945139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.945139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.945139 (E_RNA)
where:
Base-Base interactions energy: -322.722
where: short stacking energy: -148.410
Base-Backbone interact. energy: -0.056
local terms energy: -136.166317
where:
bonds (distance) C4'-P energy: -27.847
bonds (distance) P-C4' energy: -26.515
flat angles C4'-P-C4' energy: -32.929
flat angles P-C4'-P energy: -14.120
tors. eta vs tors. theta energy: -34.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -389.442101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.442101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.442101 (E_RNA)
where:
Base-Base interactions energy: -247.689
where: short stacking energy: -112.855
Base-Backbone interact. energy: -0.799
local terms energy: -140.954610
where:
bonds (distance) C4'-P energy: -34.042
bonds (distance) P-C4' energy: -27.790
flat angles C4'-P-C4' energy: -28.549
flat angles P-C4'-P energy: -17.285
tors. eta vs tors. theta energy: -33.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -392.643996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.643996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.643996 (E_RNA)
where:
Base-Base interactions energy: -259.364
where: short stacking energy: -117.073
Base-Backbone interact. energy: -1.869
local terms energy: -131.411274
where:
bonds (distance) C4'-P energy: -24.826
bonds (distance) P-C4' energy: -22.408
flat angles C4'-P-C4' energy: -30.763
flat angles P-C4'-P energy: -12.611
tors. eta vs tors. theta energy: -40.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -345.550079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.550079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.550079 (E_RNA)
where:
Base-Base interactions energy: -217.547
where: short stacking energy: -111.673
Base-Backbone interact. energy: -0.188
local terms energy: -127.815567
where:
bonds (distance) C4'-P energy: -24.755
bonds (distance) P-C4' energy: -27.094
flat angles C4'-P-C4' energy: -30.935
flat angles P-C4'-P energy: -18.613
tors. eta vs tors. theta energy: -26.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -246.105479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.105479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.105479 (E_RNA)
where:
Base-Base interactions energy: -133.178
where: short stacking energy: -71.670
Base-Backbone interact. energy: -0.908
local terms energy: -112.019178
where:
bonds (distance) C4'-P energy: -27.789
bonds (distance) P-C4' energy: -33.236
flat angles C4'-P-C4' energy: -29.950
flat angles P-C4'-P energy: -20.781
tors. eta vs tors. theta energy: -0.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -161.776089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.776089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.776089 (E_RNA)
where:
Base-Base interactions energy: -71.498
where: short stacking energy: -58.075
Base-Backbone interact. energy: -0.776
local terms energy: -89.501323
where:
bonds (distance) C4'-P energy: -25.867
bonds (distance) P-C4' energy: -29.146
flat angles C4'-P-C4' energy: -22.546
flat angles P-C4'-P energy: -4.847
tors. eta vs tors. theta energy: -7.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -154.291851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.291851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.291851 (E_RNA)
where:
Base-Base interactions energy: -63.335
where: short stacking energy: -51.583
Base-Backbone interact. energy: -0.388
local terms energy: -90.568751
where:
bonds (distance) C4'-P energy: -22.129
bonds (distance) P-C4' energy: -33.414
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -11.386
tors. eta vs tors. theta energy: -7.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -523.046445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.046445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.046445 (E_RNA)
where:
Base-Base interactions energy: -356.608
where: short stacking energy: -172.245
Base-Backbone interact. energy: -0.140
local terms energy: -166.298013
where:
bonds (distance) C4'-P energy: -28.475
bonds (distance) P-C4' energy: -32.194
flat angles C4'-P-C4' energy: -31.926
flat angles P-C4'-P energy: -21.336
tors. eta vs tors. theta energy: -52.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -517.755749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.755749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.755749 (E_RNA)
where:
Base-Base interactions energy: -364.508
where: short stacking energy: -154.116
Base-Backbone interact. energy: -0.825
local terms energy: -152.423329
where:
bonds (distance) C4'-P energy: -27.935
bonds (distance) P-C4' energy: -27.693
flat angles C4'-P-C4' energy: -31.062
flat angles P-C4'-P energy: -21.388
tors. eta vs tors. theta energy: -44.345
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: 167
Temperature: 1.000000
Total energy: -483.512834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.512834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.512834 (E_RNA)
where:
Base-Base interactions energy: -333.757
where: short stacking energy: -152.611
Base-Backbone interact. energy: -0.536
local terms energy: -149.220279
where:
bonds (distance) C4'-P energy: -31.260
bonds (distance) P-C4' energy: -26.169
flat angles C4'-P-C4' energy: -32.362
flat angles P-C4'-P energy: -15.156
tors. eta vs tors. theta energy: -44.274
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: 167
Temperature: 1.050000
Total energy: -457.518981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.518981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.518981 (E_RNA)
where:
Base-Base interactions energy: -303.256
where: short stacking energy: -141.687
Base-Backbone interact. energy: -0.427
local terms energy: -153.836746
where:
bonds (distance) C4'-P energy: -26.762
bonds (distance) P-C4' energy: -24.805
flat angles C4'-P-C4' energy: -38.621
flat angles P-C4'-P energy: -23.784
tors. eta vs tors. theta energy: -39.866
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: 1
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -427.626342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.626342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.626342 (E_RNA)
where:
Base-Base interactions energy: -294.125
where: short stacking energy: -150.020
Base-Backbone interact. energy: -0.582
local terms energy: -132.918881
where:
bonds (distance) C4'-P energy: -24.228
bonds (distance) P-C4' energy: -23.352
flat angles C4'-P-C4' energy: -25.002
flat angles P-C4'-P energy: -22.218
tors. eta vs tors. theta energy: -38.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -389.576630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.576630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.576630 (E_RNA)
where:
Base-Base interactions energy: -251.603
where: short stacking energy: -119.953
Base-Backbone interact. energy: -0.828
local terms energy: -137.146003
where:
bonds (distance) C4'-P energy: -30.500
bonds (distance) P-C4' energy: -25.305
flat angles C4'-P-C4' energy: -30.570
flat angles P-C4'-P energy: -15.841
tors. eta vs tors. theta energy: -34.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -336.004442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.004442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.004442 (E_RNA)
where:
Base-Base interactions energy: -199.061
where: short stacking energy: -105.286
Base-Backbone interact. energy: -1.018
local terms energy: -135.925330
where:
bonds (distance) C4'-P energy: -25.875
bonds (distance) P-C4' energy: -30.828
flat angles C4'-P-C4' energy: -30.481
flat angles P-C4'-P energy: -24.005
tors. eta vs tors. theta energy: -24.736
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: 8
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -258.108949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.108949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.108949 (E_RNA)
where:
Base-Base interactions energy: -150.251
where: short stacking energy: -87.132
Base-Backbone interact. energy: -0.784
local terms energy: -107.073276
where:
bonds (distance) C4'-P energy: -18.257
bonds (distance) P-C4' energy: -25.416
flat angles C4'-P-C4' energy: -29.039
flat angles P-C4'-P energy: -18.047
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: 9, replica: 9
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -208.254846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.254846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.254846 (E_RNA)
where:
Base-Base interactions energy: -110.506
where: short stacking energy: -61.661
Base-Backbone interact. energy: -0.553
local terms energy: -97.195657
where:
bonds (distance) C4'-P energy: -23.015
bonds (distance) P-C4' energy: -25.808
flat angles C4'-P-C4' energy: -25.879
flat angles P-C4'-P energy: -20.340
tors. eta vs tors. theta energy: -2.154
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: 4
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -146.814784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.814784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.814784 (E_RNA)
where:
Base-Base interactions energy: -47.893
where: short stacking energy: -40.382
Base-Backbone interact. energy: 0.139
local terms energy: -99.060662
where:
bonds (distance) C4'-P energy: -30.677
bonds (distance) P-C4' energy: -27.677
flat angles C4'-P-C4' energy: -17.750
flat angles P-C4'-P energy: -20.670
tors. eta vs tors. theta energy: -2.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -515.372306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.372306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.372306 (E_RNA)
where:
Base-Base interactions energy: -350.742
where: short stacking energy: -152.712
Base-Backbone interact. energy: -0.687
local terms energy: -163.943251
where:
bonds (distance) C4'-P energy: -34.485
bonds (distance) P-C4' energy: -32.872
flat angles C4'-P-C4' energy: -34.740
flat angles P-C4'-P energy: -22.760
tors. eta vs tors. theta energy: -39.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -529.815496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.815496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.815496 (E_RNA)
where:
Base-Base interactions energy: -360.002
where: short stacking energy: -176.545
Base-Backbone interact. energy: -0.327
local terms energy: -169.486567
where:
bonds (distance) C4'-P energy: -29.206
bonds (distance) P-C4' energy: -34.411
flat angles C4'-P-C4' energy: -31.237
flat angles P-C4'-P energy: -24.997
tors. eta vs tors. theta energy: -49.634
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: 5
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -485.912331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.912331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.912331 (E_RNA)
where:
Base-Base interactions energy: -328.943
where: short stacking energy: -155.191
Base-Backbone interact. energy: -0.111
local terms energy: -156.857863
where:
bonds (distance) C4'-P energy: -28.761
bonds (distance) P-C4' energy: -35.039
flat angles C4'-P-C4' energy: -35.045
flat angles P-C4'-P energy: -14.802
tors. eta vs tors. theta energy: -43.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -465.511247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.511247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.511247 (E_RNA)
where:
Base-Base interactions energy: -306.474
where: short stacking energy: -134.876
Base-Backbone interact. energy: 0.061
local terms energy: -159.097790
where:
bonds (distance) C4'-P energy: -29.463
bonds (distance) P-C4' energy: -39.598
flat angles C4'-P-C4' energy: -28.949
flat angles P-C4'-P energy: -24.708
tors. eta vs tors. theta energy: -36.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -393.618411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.618411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.618411 (E_RNA)
where:
Base-Base interactions energy: -268.564
where: short stacking energy: -121.339
Base-Backbone interact. energy: -0.831
local terms energy: -124.222919
where:
bonds (distance) C4'-P energy: -22.872
bonds (distance) P-C4' energy: -34.327
flat angles C4'-P-C4' energy: -26.197
flat angles P-C4'-P energy: -16.832
tors. eta vs tors. theta energy: -23.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -418.486301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.486301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.486301 (E_RNA)
where:
Base-Base interactions energy: -273.017
where: short stacking energy: -127.608
Base-Backbone interact. energy: -1.372
local terms energy: -144.097278
where:
bonds (distance) C4'-P energy: -25.648
bonds (distance) P-C4' energy: -24.822
flat angles C4'-P-C4' energy: -35.963
flat angles P-C4'-P energy: -19.173
tors. eta vs tors. theta energy: -38.492
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: 3
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -351.789548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.789548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.789548 (E_RNA)
where:
Base-Base interactions energy: -222.032
where: short stacking energy: -106.656
Base-Backbone interact. energy: -0.310
local terms energy: -129.448210
where:
bonds (distance) C4'-P energy: -31.081
bonds (distance) P-C4' energy: -30.074
flat angles C4'-P-C4' energy: -23.729
flat angles P-C4'-P energy: -12.013
tors. eta vs tors. theta energy: -32.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -253.013074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.013074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.013074 (E_RNA)
where:
Base-Base interactions energy: -139.956
where: short stacking energy: -96.354
Base-Backbone interact. energy: 6.468
local terms energy: -119.525895
where:
bonds (distance) C4'-P energy: -25.357
bonds (distance) P-C4' energy: -27.671
flat angles C4'-P-C4' energy: -35.020
flat angles P-C4'-P energy: -17.095
tors. eta vs tors. theta energy: -14.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -224.005908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.005908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.005908 (E_RNA)
where:
Base-Base interactions energy: -114.753
where: short stacking energy: -73.027
Base-Backbone interact. energy: 0.470
local terms energy: -109.723461
where:
bonds (distance) C4'-P energy: -28.596
bonds (distance) P-C4' energy: -25.014
flat angles C4'-P-C4' energy: -27.736
flat angles P-C4'-P energy: -18.080
tors. eta vs tors. theta energy: -10.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -154.400985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.400985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.400985 (E_RNA)
where:
Base-Base interactions energy: -62.026
where: short stacking energy: -48.913
Base-Backbone interact. energy: 0.246
local terms energy: -92.620757
where:
bonds (distance) C4'-P energy: -32.157
bonds (distance) P-C4' energy: -24.975
flat angles C4'-P-C4' energy: -23.545
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -1.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -526.836441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.836441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.836441 (E_RNA)
where:
Base-Base interactions energy: -356.628
where: short stacking energy: -162.187
Base-Backbone interact. energy: -0.080
local terms energy: -170.128826
where:
bonds (distance) C4'-P energy: -27.406
bonds (distance) P-C4' energy: -33.441
flat angles C4'-P-C4' energy: -37.031
flat angles P-C4'-P energy: -27.245
tors. eta vs tors. theta energy: -45.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -501.239852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.239852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.239852 (E_RNA)
where:
Base-Base interactions energy: -346.126
where: short stacking energy: -155.805
Base-Backbone interact. energy: -1.490
local terms energy: -153.623628
where:
bonds (distance) C4'-P energy: -35.222
bonds (distance) P-C4' energy: -23.378
flat angles C4'-P-C4' energy: -34.771
flat angles P-C4'-P energy: -19.922
tors. eta vs tors. theta energy: -40.330
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: 169
Temperature: 1.000000
Total energy: -468.720609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.720609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.720609 (E_RNA)
where:
Base-Base interactions energy: -310.398
where: short stacking energy: -144.587
Base-Backbone interact. energy: -0.101
local terms energy: -158.221154
where:
bonds (distance) C4'-P energy: -30.096
bonds (distance) P-C4' energy: -25.073
flat angles C4'-P-C4' energy: -34.420
flat angles P-C4'-P energy: -25.060
tors. eta vs tors. theta energy: -43.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -475.996792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.996792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.996792 (E_RNA)
where:
Base-Base interactions energy: -321.789
where: short stacking energy: -151.579
Base-Backbone interact. energy: -0.478
local terms energy: -153.729155
where:
bonds (distance) C4'-P energy: -26.916
bonds (distance) P-C4' energy: -29.649
flat angles C4'-P-C4' energy: -33.574
flat angles P-C4'-P energy: -28.240
tors. eta vs tors. theta energy: -35.350
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: 7
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -392.054151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.054151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.054151 (E_RNA)
where:
Base-Base interactions energy: -270.510
where: short stacking energy: -106.697
Base-Backbone interact. energy: -0.170
local terms energy: -121.374439
where:
bonds (distance) C4'-P energy: -25.191
bonds (distance) P-C4' energy: -25.958
flat angles C4'-P-C4' energy: -28.369
flat angles P-C4'-P energy: -18.789
tors. eta vs tors. theta energy: -23.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -433.433964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.433964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.433964 (E_RNA)
where:
Base-Base interactions energy: -284.597
where: short stacking energy: -141.194
Base-Backbone interact. energy: -0.917
local terms energy: -147.920091
where:
bonds (distance) C4'-P energy: -26.885
bonds (distance) P-C4' energy: -28.539
flat angles C4'-P-C4' energy: -34.127
flat angles P-C4'-P energy: -22.382
tors. eta vs tors. theta energy: -35.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -312.714681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.714681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.714681 (E_RNA)
where:
Base-Base interactions energy: -179.240
where: short stacking energy: -81.873
Base-Backbone interact. energy: -1.149
local terms energy: -132.326280
where:
bonds (distance) C4'-P energy: -24.618
bonds (distance) P-C4' energy: -35.015
flat angles C4'-P-C4' energy: -29.364
flat angles P-C4'-P energy: -23.127
tors. eta vs tors. theta energy: -20.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -245.456768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.456768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.456768 (E_RNA)
where:
Base-Base interactions energy: -137.767
where: short stacking energy: -79.410
Base-Backbone interact. energy: 0.344
local terms energy: -108.034001
where:
bonds (distance) C4'-P energy: -25.496
bonds (distance) P-C4' energy: -21.419
flat angles C4'-P-C4' energy: -31.202
flat angles P-C4'-P energy: -20.245
tors. eta vs tors. theta energy: -9.671
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: 8
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -244.067094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.067094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.067094 (E_RNA)
where:
Base-Base interactions energy: -133.765
where: short stacking energy: -85.309
Base-Backbone interact. energy: -0.180
local terms energy: -110.122048
where:
bonds (distance) C4'-P energy: -24.946
bonds (distance) P-C4' energy: -27.725
flat angles C4'-P-C4' energy: -28.411
flat angles P-C4'-P energy: -19.640
tors. eta vs tors. theta energy: -9.400
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: 4
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -154.165723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.165723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.165723 (E_RNA)
where:
Base-Base interactions energy: -51.284
where: short stacking energy: -40.767
Base-Backbone interact. energy: 0.264
local terms energy: -103.145237
where:
bonds (distance) C4'-P energy: -31.783
bonds (distance) P-C4' energy: -28.409
flat angles C4'-P-C4' energy: -23.025
flat angles P-C4'-P energy: -16.320
tors. eta vs tors. theta energy: -3.608
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: 1, replica: 2
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -527.662463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.662463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.662463 (E_RNA)
where:
Base-Base interactions energy: -357.681
where: short stacking energy: -167.774
Base-Backbone interact. energy: -1.169
local terms energy: -168.812600
where:
bonds (distance) C4'-P energy: -22.877
bonds (distance) P-C4' energy: -37.326
flat angles C4'-P-C4' energy: -37.151
flat angles P-C4'-P energy: -27.141
tors. eta vs tors. theta energy: -44.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -513.967709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.967709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.967709 (E_RNA)
where:
Base-Base interactions energy: -350.542
where: short stacking energy: -155.648
Base-Backbone interact. energy: -0.025
local terms energy: -163.400911
where:
bonds (distance) C4'-P energy: -34.420
bonds (distance) P-C4' energy: -27.974
flat angles C4'-P-C4' energy: -33.216
flat angles P-C4'-P energy: -15.957
tors. eta vs tors. theta energy: -51.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -480.021749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.021749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.021749 (E_RNA)
where:
Base-Base interactions energy: -325.481
where: short stacking energy: -133.868
Base-Backbone interact. energy: 0.523
local terms energy: -155.063439
where:
bonds (distance) C4'-P energy: -30.451
bonds (distance) P-C4' energy: -27.240
flat angles C4'-P-C4' energy: -34.992
flat angles P-C4'-P energy: -27.116
tors. eta vs tors. theta energy: -35.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -453.086570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.086570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.086570 (E_RNA)
where:
Base-Base interactions energy: -299.819
where: short stacking energy: -146.650
Base-Backbone interact. energy: -0.171
local terms energy: -153.096551
where:
bonds (distance) C4'-P energy: -25.702
bonds (distance) P-C4' energy: -33.258
flat angles C4'-P-C4' energy: -32.817
flat angles P-C4'-P energy: -25.826
tors. eta vs tors. theta energy: -35.493
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: 1
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -420.821192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.821192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.821192 (E_RNA)
where:
Base-Base interactions energy: -275.472
where: short stacking energy: -124.087
Base-Backbone interact. energy: -1.084
local terms energy: -144.264702
where:
bonds (distance) C4'-P energy: -19.160
bonds (distance) P-C4' energy: -33.892
flat angles C4'-P-C4' energy: -31.680
flat angles P-C4'-P energy: -21.703
tors. eta vs tors. theta energy: -37.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -334.679970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.679970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.679970 (E_RNA)
where:
Base-Base interactions energy: -206.925
where: short stacking energy: -101.564
Base-Backbone interact. energy: -0.846
local terms energy: -126.908489
where:
bonds (distance) C4'-P energy: -31.952
bonds (distance) P-C4' energy: -23.885
flat angles C4'-P-C4' energy: -26.513
flat angles P-C4'-P energy: -20.087
tors. eta vs tors. theta energy: -24.472
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: 3
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -329.590928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.590928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.590928 (E_RNA)
where:
Base-Base interactions energy: -210.185
where: short stacking energy: -89.288
Base-Backbone interact. energy: -0.190
local terms energy: -119.215998
where:
bonds (distance) C4'-P energy: -24.211
bonds (distance) P-C4' energy: -28.110
flat angles C4'-P-C4' energy: -28.669
flat angles P-C4'-P energy: -17.916
tors. eta vs tors. theta energy: -20.309
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: 9
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -258.189819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.189819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.189819 (E_RNA)
where:
Base-Base interactions energy: -155.675
where: short stacking energy: -92.574
Base-Backbone interact. energy: -0.148
local terms energy: -102.366153
where:
bonds (distance) C4'-P energy: -27.962
bonds (distance) P-C4' energy: -22.977
flat angles C4'-P-C4' energy: -23.295
flat angles P-C4'-P energy: -13.090
tors. eta vs tors. theta energy: -15.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -218.744005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.744005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.744005 (E_RNA)
where:
Base-Base interactions energy: -115.155
where: short stacking energy: -65.344
Base-Backbone interact. energy: 2.702
local terms energy: -106.290377
where:
bonds (distance) C4'-P energy: -29.695
bonds (distance) P-C4' energy: -26.483
flat angles C4'-P-C4' energy: -24.069
flat angles P-C4'-P energy: -21.439
tors. eta vs tors. theta energy: -4.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -186.290608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.290608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.290608 (E_RNA)
where:
Base-Base interactions energy: -93.421
where: short stacking energy: -58.261
Base-Backbone interact. energy: -1.348
local terms energy: -91.521859
where:
bonds (distance) C4'-P energy: -20.713
bonds (distance) P-C4' energy: -28.565
flat angles C4'-P-C4' energy: -24.438
flat angles P-C4'-P energy: -15.664
tors. eta vs tors. theta energy: -2.141
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: 2
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -529.116061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.116061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.116061 (E_RNA)
where:
Base-Base interactions energy: -360.183
where: short stacking energy: -161.908
Base-Backbone interact. energy: 0.347
local terms energy: -169.280255
where:
bonds (distance) C4'-P energy: -33.525
bonds (distance) P-C4' energy: -32.432
flat angles C4'-P-C4' energy: -38.929
flat angles P-C4'-P energy: -22.118
tors. eta vs tors. theta energy: -42.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -522.735287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.735287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.735287 (E_RNA)
where:
Base-Base interactions energy: -349.661
where: short stacking energy: -160.108
Base-Backbone interact. energy: -0.012
local terms energy: -173.061862
where:
bonds (distance) C4'-P energy: -35.018
bonds (distance) P-C4' energy: -31.589
flat angles C4'-P-C4' energy: -37.949
flat angles P-C4'-P energy: -17.983
tors. eta vs tors. theta energy: -50.523
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: 5
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -463.928632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.928632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.928632 (E_RNA)
where:
Base-Base interactions energy: -313.322
where: short stacking energy: -132.876
Base-Backbone interact. energy: -0.263
local terms energy: -150.343171
where:
bonds (distance) C4'-P energy: -28.967
bonds (distance) P-C4' energy: -30.086
flat angles C4'-P-C4' energy: -30.620
flat angles P-C4'-P energy: -20.885
tors. eta vs tors. theta energy: -39.785
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: 4, replica: 10
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -472.556396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.556396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.556396 (E_RNA)
where:
Base-Base interactions energy: -329.500
where: short stacking energy: -141.933
Base-Backbone interact. energy: 0.167
local terms energy: -143.223246
where:
bonds (distance) C4'-P energy: -27.837
bonds (distance) P-C4' energy: -23.936
flat angles C4'-P-C4' energy: -33.988
flat angles P-C4'-P energy: -21.940
tors. eta vs tors. theta energy: -35.522
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: 1
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -430.317682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.317682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.317682 (E_RNA)
where:
Base-Base interactions energy: -305.117
where: short stacking energy: -128.731
Base-Backbone interact. energy: -1.841
local terms energy: -123.359252
where:
bonds (distance) C4'-P energy: -28.218
bonds (distance) P-C4' energy: -25.880
flat angles C4'-P-C4' energy: -28.893
flat angles P-C4'-P energy: -8.073
tors. eta vs tors. theta energy: -32.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -355.572800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.572800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.572800 (E_RNA)
where:
Base-Base interactions energy: -239.880
where: short stacking energy: -101.239
Base-Backbone interact. energy: -1.262
local terms energy: -114.430910
where:
bonds (distance) C4'-P energy: -30.067
bonds (distance) P-C4' energy: -28.790
flat angles C4'-P-C4' energy: -22.049
flat angles P-C4'-P energy: -16.958
tors. eta vs tors. theta energy: -16.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -328.480626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.480626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.480626 (E_RNA)
where:
Base-Base interactions energy: -207.152
where: short stacking energy: -97.364
Base-Backbone interact. energy: -0.372
local terms energy: -120.956520
where:
bonds (distance) C4'-P energy: -26.053
bonds (distance) P-C4' energy: -26.887
flat angles C4'-P-C4' energy: -22.900
flat angles P-C4'-P energy: -18.521
tors. eta vs tors. theta energy: -26.595
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: 8
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -235.163366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.163366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.163366 (E_RNA)
where:
Base-Base interactions energy: -124.751
where: short stacking energy: -84.786
Base-Backbone interact. energy: 2.501
local terms energy: -112.912822
where:
bonds (distance) C4'-P energy: -29.229
bonds (distance) P-C4' energy: -29.032
flat angles C4'-P-C4' energy: -29.775
flat angles P-C4'-P energy: -15.329
tors. eta vs tors. theta energy: -9.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -242.288816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.288816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.288816 (E_RNA)
where:
Base-Base interactions energy: -125.054
where: short stacking energy: -70.428
Base-Backbone interact. energy: -1.445
local terms energy: -115.790353
where:
bonds (distance) C4'-P energy: -30.329
bonds (distance) P-C4' energy: -30.642
flat angles C4'-P-C4' energy: -20.380
flat angles P-C4'-P energy: -23.208
tors. eta vs tors. theta energy: -11.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -158.127630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.127630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.127630 (E_RNA)
where:
Base-Base interactions energy: -64.580
where: short stacking energy: -63.371
Base-Backbone interact. energy: -0.162
local terms energy: -93.385658
where:
bonds (distance) C4'-P energy: -26.592
bonds (distance) P-C4' energy: -17.310
flat angles C4'-P-C4' energy: -25.549
flat angles P-C4'-P energy: -12.732
tors. eta vs tors. theta energy: -11.204
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: 6
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -528.242775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.242775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.242775 (E_RNA)
where:
Base-Base interactions energy: -352.294
where: short stacking energy: -164.704
Base-Backbone interact. energy: -0.008
local terms energy: -175.940420
where:
bonds (distance) C4'-P energy: -32.741
bonds (distance) P-C4' energy: -33.710
flat angles C4'-P-C4' energy: -37.013
flat angles P-C4'-P energy: -23.962
tors. eta vs tors. theta energy: -48.514
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: 2, replica: 2
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -507.181326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.181326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.181326 (E_RNA)
where:
Base-Base interactions energy: -343.955
where: short stacking energy: -150.948
Base-Backbone interact. energy: -0.453
local terms energy: -162.772733
where:
bonds (distance) C4'-P energy: -31.921
bonds (distance) P-C4' energy: -34.366
flat angles C4'-P-C4' energy: -32.551
flat angles P-C4'-P energy: -20.483
tors. eta vs tors. theta energy: -43.452
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: 10
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -492.132442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.132442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.132442 (E_RNA)
where:
Base-Base interactions energy: -317.319
where: short stacking energy: -152.069
Base-Backbone interact. energy: -1.556
local terms energy: -173.257027
where:
bonds (distance) C4'-P energy: -34.014
bonds (distance) P-C4' energy: -32.074
flat angles C4'-P-C4' energy: -36.015
flat angles P-C4'-P energy: -31.433
tors. eta vs tors. theta energy: -39.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -455.323594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.323594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.323594 (E_RNA)
where:
Base-Base interactions energy: -308.731
where: short stacking energy: -129.630
Base-Backbone interact. energy: -0.569
local terms energy: -146.024056
where:
bonds (distance) C4'-P energy: -30.290
bonds (distance) P-C4' energy: -30.428
flat angles C4'-P-C4' energy: -32.486
flat angles P-C4'-P energy: -21.963
tors. eta vs tors. theta energy: -30.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -420.849160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.849160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.849160 (E_RNA)
where:
Base-Base interactions energy: -272.283
where: short stacking energy: -124.174
Base-Backbone interact. energy: 1.040
local terms energy: -149.606350
where:
bonds (distance) C4'-P energy: -30.528
bonds (distance) P-C4' energy: -34.191
flat angles C4'-P-C4' energy: -26.871
flat angles P-C4'-P energy: -23.206
tors. eta vs tors. theta energy: -34.811
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: 6, replica: 7
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -366.152941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.152941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.152941 (E_RNA)
where:
Base-Base interactions energy: -231.041
where: short stacking energy: -107.384
Base-Backbone interact. energy: -0.822
local terms energy: -134.289745
where:
bonds (distance) C4'-P energy: -26.880
bonds (distance) P-C4' energy: -27.235
flat angles C4'-P-C4' energy: -30.619
flat angles P-C4'-P energy: -22.205
tors. eta vs tors. theta energy: -27.350
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: 3
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -315.759316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.759316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.759316 (E_RNA)
where:
Base-Base interactions energy: -193.572
where: short stacking energy: -99.939
Base-Backbone interact. energy: -0.347
local terms energy: -121.840905
where:
bonds (distance) C4'-P energy: -26.372
bonds (distance) P-C4' energy: -31.169
flat angles C4'-P-C4' energy: -28.903
flat angles P-C4'-P energy: -17.493
tors. eta vs tors. theta energy: -17.904
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: 8, replica: 8
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -237.104212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.104212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.104212 (E_RNA)
where:
Base-Base interactions energy: -125.962
where: short stacking energy: -75.518
Base-Backbone interact. energy: -0.155
local terms energy: -110.987327
where:
bonds (distance) C4'-P energy: -22.975
bonds (distance) P-C4' energy: -28.891
flat angles C4'-P-C4' energy: -23.637
flat angles P-C4'-P energy: -20.995
tors. eta vs tors. theta energy: -14.489
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: 9, replica: 9
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -230.350523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.350523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.350523 (E_RNA)
where:
Base-Base interactions energy: -135.493
where: short stacking energy: -74.748
Base-Backbone interact. energy: -0.631
local terms energy: -94.226713
where:
bonds (distance) C4'-P energy: -23.007
bonds (distance) P-C4' energy: -24.111
flat angles C4'-P-C4' energy: -33.142
flat angles P-C4'-P energy: -11.902
tors. eta vs tors. theta energy: -2.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -128.480774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.480774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.480774 (E_RNA)
where:
Base-Base interactions energy: -50.969
where: short stacking energy: -39.193
Base-Backbone interact. energy: -0.245
local terms energy: -77.266400
where:
bonds (distance) C4'-P energy: -24.099
bonds (distance) P-C4' energy: -25.230
flat angles C4'-P-C4' energy: -21.395
flat angles P-C4'-P energy: -12.832
tors. eta vs tors. theta energy: 6.290
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: 6
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -539.685495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.685495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.685495 (E_RNA)
where:
Base-Base interactions energy: -365.391
where: short stacking energy: -172.051
Base-Backbone interact. energy: -0.345
local terms energy: -173.949317
where:
bonds (distance) C4'-P energy: -32.562
bonds (distance) P-C4' energy: -29.895
flat angles C4'-P-C4' energy: -35.724
flat angles P-C4'-P energy: -25.590
tors. eta vs tors. theta energy: -50.178
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: 10
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -499.642855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.642855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.642855 (E_RNA)
where:
Base-Base interactions energy: -337.501
where: short stacking energy: -147.477
Base-Backbone interact. energy: -0.033
local terms energy: -162.108201
where:
bonds (distance) C4'-P energy: -31.157
bonds (distance) P-C4' energy: -33.123
flat angles C4'-P-C4' energy: -33.343
flat angles P-C4'-P energy: -22.419
tors. eta vs tors. theta energy: -42.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -508.592601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.592601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.592601 (E_RNA)
where:
Base-Base interactions energy: -341.217
where: short stacking energy: -144.475
Base-Backbone interact. energy: -2.259
local terms energy: -165.116666
where:
bonds (distance) C4'-P energy: -30.881
bonds (distance) P-C4' energy: -33.064
flat angles C4'-P-C4' energy: -33.470
flat angles P-C4'-P energy: -24.132
tors. eta vs tors. theta energy: -43.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -453.001718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.001718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.001718 (E_RNA)
where:
Base-Base interactions energy: -311.188
where: short stacking energy: -131.393
Base-Backbone interact. energy: -0.801
local terms energy: -141.012817
where:
bonds (distance) C4'-P energy: -28.730
bonds (distance) P-C4' energy: -31.375
flat angles C4'-P-C4' energy: -30.325
flat angles P-C4'-P energy: -18.005
tors. eta vs tors. theta energy: -32.578
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: 1
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -425.179686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.179686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.179686 (E_RNA)
where:
Base-Base interactions energy: -273.185
where: short stacking energy: -133.077
Base-Backbone interact. energy: -0.338
local terms energy: -151.655894
where:
bonds (distance) C4'-P energy: -28.190
bonds (distance) P-C4' energy: -31.288
flat angles C4'-P-C4' energy: -26.967
flat angles P-C4'-P energy: -23.643
tors. eta vs tors. theta energy: -41.568
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: 6, replica: 3
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -332.327527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.327527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.327527 (E_RNA)
where:
Base-Base interactions energy: -202.193
where: short stacking energy: -106.462
Base-Backbone interact. energy: 0.365
local terms energy: -130.498686
where:
bonds (distance) C4'-P energy: -27.969
bonds (distance) P-C4' energy: -32.050
flat angles C4'-P-C4' energy: -31.595
flat angles P-C4'-P energy: -17.705
tors. eta vs tors. theta energy: -21.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -338.676145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.676145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.676145 (E_RNA)
where:
Base-Base interactions energy: -207.854
where: short stacking energy: -91.968
Base-Backbone interact. energy: -0.607
local terms energy: -130.215396
where:
bonds (distance) C4'-P energy: -31.674
bonds (distance) P-C4' energy: -30.634
flat angles C4'-P-C4' energy: -27.051
flat angles P-C4'-P energy: -20.175
tors. eta vs tors. theta energy: -20.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -254.021063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.021063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.021063 (E_RNA)
where:
Base-Base interactions energy: -132.366
where: short stacking energy: -78.200
Base-Backbone interact. energy: -0.839
local terms energy: -120.815823
where:
bonds (distance) C4'-P energy: -25.220
bonds (distance) P-C4' energy: -32.246
flat angles C4'-P-C4' energy: -25.832
flat angles P-C4'-P energy: -21.806
tors. eta vs tors. theta energy: -15.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -234.781517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.781517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.781517 (E_RNA)
where:
Base-Base interactions energy: -136.134
where: short stacking energy: -63.863
Base-Backbone interact. energy: -0.841
local terms energy: -97.806213
where:
bonds (distance) C4'-P energy: -31.961
bonds (distance) P-C4' energy: -29.666
flat angles C4'-P-C4' energy: -26.685
flat angles P-C4'-P energy: -7.252
tors. eta vs tors. theta energy: -2.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -161.530283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.530283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.530283 (E_RNA)
where:
Base-Base interactions energy: -70.143
where: short stacking energy: -50.121
Base-Backbone interact. energy: -1.791
local terms energy: -89.596578
where:
bonds (distance) C4'-P energy: -24.273
bonds (distance) P-C4' energy: -20.833
flat angles C4'-P-C4' energy: -27.101
flat angles P-C4'-P energy: -20.624
tors. eta vs tors. theta energy: 3.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -532.869866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.869866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.869866 (E_RNA)
where:
Base-Base interactions energy: -352.090
where: short stacking energy: -169.055
Base-Backbone interact. energy: -0.932
local terms energy: -179.847669
where:
bonds (distance) C4'-P energy: -32.247
bonds (distance) P-C4' energy: -38.191
flat angles C4'-P-C4' energy: -38.151
flat angles P-C4'-P energy: -26.519
tors. eta vs tors. theta energy: -44.740
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: 10
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -503.631443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.631443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.631443 (E_RNA)
where:
Base-Base interactions energy: -351.221
where: short stacking energy: -152.017
Base-Backbone interact. energy: -0.453
local terms energy: -151.957986
where:
bonds (distance) C4'-P energy: -27.799
bonds (distance) P-C4' energy: -30.348
flat angles C4'-P-C4' energy: -31.311
flat angles P-C4'-P energy: -23.098
tors. eta vs tors. theta energy: -39.402
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: 2
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -490.528846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.528846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.528846 (E_RNA)
where:
Base-Base interactions energy: -330.015
where: short stacking energy: -140.105
Base-Backbone interact. energy: -1.058
local terms energy: -159.456188
where:
bonds (distance) C4'-P energy: -33.057
bonds (distance) P-C4' energy: -28.445
flat angles C4'-P-C4' energy: -33.574
flat angles P-C4'-P energy: -30.188
tors. eta vs tors. theta energy: -34.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -458.541901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.541901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.541901 (E_RNA)
where:
Base-Base interactions energy: -307.198
where: short stacking energy: -147.803
Base-Backbone interact. energy: -0.581
local terms energy: -150.762362
where:
bonds (distance) C4'-P energy: -26.912
bonds (distance) P-C4' energy: -27.140
flat angles C4'-P-C4' energy: -32.656
flat angles P-C4'-P energy: -19.921
tors. eta vs tors. theta energy: -44.134
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: 1
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -429.302826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.302826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.302826 (E_RNA)
where:
Base-Base interactions energy: -282.544
where: short stacking energy: -129.060
Base-Backbone interact. energy: -1.944
local terms energy: -144.814837
where:
bonds (distance) C4'-P energy: -31.366
bonds (distance) P-C4' energy: -28.277
flat angles C4'-P-C4' energy: -33.656
flat angles P-C4'-P energy: -21.825
tors. eta vs tors. theta energy: -29.692
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: 174
Temperature: 1.150000
Total energy: -360.996607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.996607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.996607 (E_RNA)
where:
Base-Base interactions energy: -211.091
where: short stacking energy: -105.989
Base-Backbone interact. energy: -0.691
local terms energy: -149.214995
where:
bonds (distance) C4'-P energy: -32.716
bonds (distance) P-C4' energy: -32.053
flat angles C4'-P-C4' energy: -32.404
flat angles P-C4'-P energy: -23.067
tors. eta vs tors. theta energy: -28.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -328.597405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.597405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.597405 (E_RNA)
where:
Base-Base interactions energy: -213.722
where: short stacking energy: -101.054
Base-Backbone interact. energy: -0.764
local terms energy: -114.111797
where:
bonds (distance) C4'-P energy: -25.744
bonds (distance) P-C4' energy: -24.593
flat angles C4'-P-C4' energy: -26.095
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -26.836
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: 9
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -267.102904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.102904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.102904 (E_RNA)
where:
Base-Base interactions energy: -154.036
where: short stacking energy: -74.479
Base-Backbone interact. energy: 0.006
local terms energy: -113.072964
where:
bonds (distance) C4'-P energy: -26.330
bonds (distance) P-C4' energy: -28.948
flat angles C4'-P-C4' energy: -22.990
flat angles P-C4'-P energy: -14.772
tors. eta vs tors. theta energy: -20.034
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: 8
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -237.988821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.988821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.988821 (E_RNA)
where:
Base-Base interactions energy: -134.708
where: short stacking energy: -82.266
Base-Backbone interact. energy: -0.342
local terms energy: -102.938385
where:
bonds (distance) C4'-P energy: -18.787
bonds (distance) P-C4' energy: -22.619
flat angles C4'-P-C4' energy: -24.917
flat angles P-C4'-P energy: -19.791
tors. eta vs tors. theta energy: -16.824
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: 4
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -148.461673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.461673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.461673 (E_RNA)
where:
Base-Base interactions energy: -53.213
where: short stacking energy: -44.277
Base-Backbone interact. energy: -0.449
local terms energy: -94.799276
where:
bonds (distance) C4'-P energy: -24.619
bonds (distance) P-C4' energy: -33.758
flat angles C4'-P-C4' energy: -23.412
flat angles P-C4'-P energy: -12.914
tors. eta vs tors. theta energy: -0.097
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: 6
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -539.788671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.788671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.788671 (E_RNA)
where:
Base-Base interactions energy: -363.655
where: short stacking energy: -167.182
Base-Backbone interact. energy: -0.042
local terms energy: -176.091594
where:
bonds (distance) C4'-P energy: -30.870
bonds (distance) P-C4' energy: -33.295
flat angles C4'-P-C4' energy: -34.443
flat angles P-C4'-P energy: -29.903
tors. eta vs tors. theta energy: -47.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -502.335726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.335726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.335726 (E_RNA)
where:
Base-Base interactions energy: -339.124
where: short stacking energy: -147.913
Base-Backbone interact. energy: -1.829
local terms energy: -161.382959
where:
bonds (distance) C4'-P energy: -31.734
bonds (distance) P-C4' energy: -38.245
flat angles C4'-P-C4' energy: -32.074
flat angles P-C4'-P energy: -19.739
tors. eta vs tors. theta energy: -39.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -479.146500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.146500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.146500 (E_RNA)
where:
Base-Base interactions energy: -316.499
where: short stacking energy: -138.653
Base-Backbone interact. energy: -0.464
local terms energy: -162.182756
where:
bonds (distance) C4'-P energy: -28.447
bonds (distance) P-C4' energy: -30.963
flat angles C4'-P-C4' energy: -38.669
flat angles P-C4'-P energy: -26.177
tors. eta vs tors. theta energy: -37.926
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: 5
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -451.165826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.165826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.165826 (E_RNA)
where:
Base-Base interactions energy: -303.927
where: short stacking energy: -146.640
Base-Backbone interact. energy: -1.678
local terms energy: -145.560731
where:
bonds (distance) C4'-P energy: -23.889
bonds (distance) P-C4' energy: -29.531
flat angles C4'-P-C4' energy: -30.816
flat angles P-C4'-P energy: -22.026
tors. eta vs tors. theta energy: -39.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -439.821150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.821150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.821150 (E_RNA)
where:
Base-Base interactions energy: -282.334
where: short stacking energy: -139.798
Base-Backbone interact. energy: -0.555
local terms energy: -156.931370
where:
bonds (distance) C4'-P energy: -31.600
bonds (distance) P-C4' energy: -33.538
flat angles C4'-P-C4' energy: -28.875
flat angles P-C4'-P energy: -22.479
tors. eta vs tors. theta energy: -40.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -335.000253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.000253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.000253 (E_RNA)
where:
Base-Base interactions energy: -215.128
where: short stacking energy: -109.390
Base-Backbone interact. energy: -0.369
local terms energy: -119.503246
where:
bonds (distance) C4'-P energy: -28.008
bonds (distance) P-C4' energy: -31.065
flat angles C4'-P-C4' energy: -18.913
flat angles P-C4'-P energy: -20.881
tors. eta vs tors. theta energy: -20.636
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: 3
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -324.153888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.153888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.153888 (E_RNA)
where:
Base-Base interactions energy: -200.874
where: short stacking energy: -93.063
Base-Backbone interact. energy: -0.161
local terms energy: -123.119398
where:
bonds (distance) C4'-P energy: -24.606
bonds (distance) P-C4' energy: -32.982
flat angles C4'-P-C4' energy: -20.451
flat angles P-C4'-P energy: -20.912
tors. eta vs tors. theta energy: -24.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -249.597242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.597242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.597242 (E_RNA)
where:
Base-Base interactions energy: -137.112
where: short stacking energy: -78.110
Base-Backbone interact. energy: 0.683
local terms energy: -113.167564
where:
bonds (distance) C4'-P energy: -31.571
bonds (distance) P-C4' energy: -26.362
flat angles C4'-P-C4' energy: -28.311
flat angles P-C4'-P energy: -19.225
tors. eta vs tors. theta energy: -7.699
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: 9
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -249.581381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.581381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.581381 (E_RNA)
where:
Base-Base interactions energy: -141.462
where: short stacking energy: -76.910
Base-Backbone interact. energy: 0.002
local terms energy: -108.121473
where:
bonds (distance) C4'-P energy: -28.327
bonds (distance) P-C4' energy: -31.677
flat angles C4'-P-C4' energy: -21.582
flat angles P-C4'-P energy: -5.554
tors. eta vs tors. theta energy: -20.982
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: 4
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -151.092849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.092849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.092849 (E_RNA)
where:
Base-Base interactions energy: -51.219
where: short stacking energy: -50.946
Base-Backbone interact. energy: 0.310
local terms energy: -100.183678
where:
bonds (distance) C4'-P energy: -31.025
bonds (distance) P-C4' energy: -28.727
flat angles C4'-P-C4' energy: -24.977
flat angles P-C4'-P energy: -14.575
tors. eta vs tors. theta energy: -0.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -523.101717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.101717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.101717 (E_RNA)
where:
Base-Base interactions energy: -355.806
where: short stacking energy: -164.195
Base-Backbone interact. energy: -0.767
local terms energy: -166.528219
where:
bonds (distance) C4'-P energy: -25.485
bonds (distance) P-C4' energy: -35.264
flat angles C4'-P-C4' energy: -34.668
flat angles P-C4'-P energy: -23.037
tors. eta vs tors. theta energy: -48.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -499.166913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.166913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.166913 (E_RNA)
where:
Base-Base interactions energy: -331.970
where: short stacking energy: -148.240
Base-Backbone interact. energy: -0.400
local terms energy: -166.797500
where:
bonds (distance) C4'-P energy: -36.273
bonds (distance) P-C4' energy: -30.412
flat angles C4'-P-C4' energy: -34.817
flat angles P-C4'-P energy: -29.634
tors. eta vs tors. theta energy: -35.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -479.565402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.565402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.565402 (E_RNA)
where:
Base-Base interactions energy: -333.101
where: short stacking energy: -136.517
Base-Backbone interact. energy: -1.127
local terms energy: -145.337465
where:
bonds (distance) C4'-P energy: -25.913
bonds (distance) P-C4' energy: -28.185
flat angles C4'-P-C4' energy: -32.751
flat angles P-C4'-P energy: -20.898
tors. eta vs tors. theta energy: -37.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -455.986720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.986720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.986720 (E_RNA)
where:
Base-Base interactions energy: -304.497
where: short stacking energy: -148.648
Base-Backbone interact. energy: -0.807
local terms energy: -150.682549
where:
bonds (distance) C4'-P energy: -30.743
bonds (distance) P-C4' energy: -32.400
flat angles C4'-P-C4' energy: -27.331
flat angles P-C4'-P energy: -17.101
tors. eta vs tors. theta energy: -43.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -431.558804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.558804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.558804 (E_RNA)
where:
Base-Base interactions energy: -287.668
where: short stacking energy: -140.796
Base-Backbone interact. energy: -0.314
local terms energy: -143.577440
where:
bonds (distance) C4'-P energy: -27.825
bonds (distance) P-C4' energy: -27.476
flat angles C4'-P-C4' energy: -30.185
flat angles P-C4'-P energy: -19.626
tors. eta vs tors. theta energy: -38.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -385.999298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.999298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.999298 (E_RNA)
where:
Base-Base interactions energy: -241.787
where: short stacking energy: -118.332
Base-Backbone interact. energy: -0.687
local terms energy: -143.525306
where:
bonds (distance) C4'-P energy: -30.041
bonds (distance) P-C4' energy: -24.442
flat angles C4'-P-C4' energy: -34.482
flat angles P-C4'-P energy: -20.864
tors. eta vs tors. theta energy: -33.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -327.779277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.779277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.779277 (E_RNA)
where:
Base-Base interactions energy: -200.386
where: short stacking energy: -100.924
Base-Backbone interact. energy: -0.260
local terms energy: -127.133213
where:
bonds (distance) C4'-P energy: -29.057
bonds (distance) P-C4' energy: -29.970
flat angles C4'-P-C4' energy: -30.994
flat angles P-C4'-P energy: -13.928
tors. eta vs tors. theta energy: -23.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -246.163996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.163996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.163996 (E_RNA)
where:
Base-Base interactions energy: -138.041
where: short stacking energy: -78.992
Base-Backbone interact. energy: -0.315
local terms energy: -107.808420
where:
bonds (distance) C4'-P energy: -20.290
bonds (distance) P-C4' energy: -31.603
flat angles C4'-P-C4' energy: -28.983
flat angles P-C4'-P energy: -8.588
tors. eta vs tors. theta energy: -18.344
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: 4
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -148.228800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.228800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.228800 (E_RNA)
where:
Base-Base interactions energy: -45.592
where: short stacking energy: -42.956
Base-Backbone interact. energy: -0.424
local terms energy: -102.212675
where:
bonds (distance) C4'-P energy: -24.069
bonds (distance) P-C4' energy: -30.636
flat angles C4'-P-C4' energy: -24.890
flat angles P-C4'-P energy: -21.463
tors. eta vs tors. theta energy: -1.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -217.429754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.429754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.429754 (E_RNA)
where:
Base-Base interactions energy: -120.329
where: short stacking energy: -68.356
Base-Backbone interact. energy: 0.711
local terms energy: -97.811964
where:
bonds (distance) C4'-P energy: -29.009
bonds (distance) P-C4' energy: -18.967
flat angles C4'-P-C4' energy: -23.859
flat angles P-C4'-P energy: -14.416
tors. eta vs tors. theta energy: -11.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -527.708741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.708741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.708741 (E_RNA)
where:
Base-Base interactions energy: -355.431
where: short stacking energy: -160.335
Base-Backbone interact. energy: -1.110
local terms energy: -171.167329
where:
bonds (distance) C4'-P energy: -33.580
bonds (distance) P-C4' energy: -31.668
flat angles C4'-P-C4' energy: -38.991
flat angles P-C4'-P energy: -18.658
tors. eta vs tors. theta energy: -48.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -499.197224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.197224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.197224 (E_RNA)
where:
Base-Base interactions energy: -343.607
where: short stacking energy: -139.052
Base-Backbone interact. energy: -1.364
local terms energy: -154.226100
where:
bonds (distance) C4'-P energy: -29.904
bonds (distance) P-C4' energy: -31.395
flat angles C4'-P-C4' energy: -33.828
flat angles P-C4'-P energy: -22.682
tors. eta vs tors. theta energy: -36.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -478.709442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.709442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.709442 (E_RNA)
where:
Base-Base interactions energy: -321.859
where: short stacking energy: -139.957
Base-Backbone interact. energy: 1.005
local terms energy: -157.855058
where:
bonds (distance) C4'-P energy: -34.287
bonds (distance) P-C4' energy: -35.545
flat angles C4'-P-C4' energy: -31.137
flat angles P-C4'-P energy: -22.415
tors. eta vs tors. theta energy: -34.471
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: 4, replica: 1
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -451.279082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.279082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.279082 (E_RNA)
where:
Base-Base interactions energy: -300.213
where: short stacking energy: -136.589
Base-Backbone interact. energy: -1.403
local terms energy: -149.662654
where:
bonds (distance) C4'-P energy: -28.300
bonds (distance) P-C4' energy: -33.044
flat angles C4'-P-C4' energy: -30.731
flat angles P-C4'-P energy: -22.681
tors. eta vs tors. theta energy: -34.906
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: 5
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -413.060751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.060751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.060751 (E_RNA)
where:
Base-Base interactions energy: -278.517
where: short stacking energy: -97.813
Base-Backbone interact. energy: -1.031
local terms energy: -133.513308
where:
bonds (distance) C4'-P energy: -24.499
bonds (distance) P-C4' energy: -31.378
flat angles C4'-P-C4' energy: -27.684
flat angles P-C4'-P energy: -20.451
tors. eta vs tors. theta energy: -29.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -345.127678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.127678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.127678 (E_RNA)
where:
Base-Base interactions energy: -207.978
where: short stacking energy: -103.644
Base-Backbone interact. energy: 0.621
local terms energy: -137.770295
where:
bonds (distance) C4'-P energy: -24.706
bonds (distance) P-C4' energy: -30.899
flat angles C4'-P-C4' energy: -29.413
flat angles P-C4'-P energy: -24.206
tors. eta vs tors. theta energy: -28.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -343.453165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.453165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.453165 (E_RNA)
where:
Base-Base interactions energy: -205.889
where: short stacking energy: -98.934
Base-Backbone interact. energy: -0.811
local terms energy: -136.752904
where:
bonds (distance) C4'-P energy: -29.233
bonds (distance) P-C4' energy: -34.482
flat angles C4'-P-C4' energy: -27.782
flat angles P-C4'-P energy: -22.340
tors. eta vs tors. theta energy: -22.917
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: 8, replica: 8
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -270.783138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.783138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.783138 (E_RNA)
where:
Base-Base interactions energy: -157.265
where: short stacking energy: -105.978
Base-Backbone interact. energy: -1.142
local terms energy: -112.376028
where:
bonds (distance) C4'-P energy: -23.352
bonds (distance) P-C4' energy: -27.386
flat angles C4'-P-C4' energy: -27.664
flat angles P-C4'-P energy: -14.638
tors. eta vs tors. theta energy: -19.336
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: 9, replica: 4
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -168.477304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.477304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.477304 (E_RNA)
where:
Base-Base interactions energy: -76.613
where: short stacking energy: -46.266
Base-Backbone interact. energy: -1.716
local terms energy: -90.148753
where:
bonds (distance) C4'-P energy: -19.849
bonds (distance) P-C4' energy: -29.561
flat angles C4'-P-C4' energy: -29.142
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: 0.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -207.788206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.788206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.788206 (E_RNA)
where:
Base-Base interactions energy: -102.237
where: short stacking energy: -60.523
Base-Backbone interact. energy: 0.617
local terms energy: -106.168723
where:
bonds (distance) C4'-P energy: -30.070
bonds (distance) P-C4' energy: -33.517
flat angles C4'-P-C4' energy: -23.111
flat angles P-C4'-P energy: -16.621
tors. eta vs tors. theta energy: -2.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -513.514149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.514149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.514149 (E_RNA)
where:
Base-Base interactions energy: -352.933
where: short stacking energy: -142.720
Base-Backbone interact. energy: -0.126
local terms energy: -160.455604
where:
bonds (distance) C4'-P energy: -28.427
bonds (distance) P-C4' energy: -35.639
flat angles C4'-P-C4' energy: -36.140
flat angles P-C4'-P energy: -24.812
tors. eta vs tors. theta energy: -35.438
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: 178
Temperature: 0.950000
Total energy: -520.721131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.721131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.721131 (E_RNA)
where:
Base-Base interactions energy: -364.824
where: short stacking energy: -158.474
Base-Backbone interact. energy: -0.044
local terms energy: -155.852739
where:
bonds (distance) C4'-P energy: -24.246
bonds (distance) P-C4' energy: -26.003
flat angles C4'-P-C4' energy: -35.474
flat angles P-C4'-P energy: -24.002
tors. eta vs tors. theta energy: -46.128
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: 1
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -489.330566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.330566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.330566 (E_RNA)
where:
Base-Base interactions energy: -319.753
where: short stacking energy: -160.341
Base-Backbone interact. energy: -2.819
local terms energy: -166.758642
where:
bonds (distance) C4'-P energy: -27.140
bonds (distance) P-C4' energy: -29.286
flat angles C4'-P-C4' energy: -35.988
flat angles P-C4'-P energy: -23.738
tors. eta vs tors. theta energy: -50.606
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: 10
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -456.956290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.956290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.956290 (E_RNA)
where:
Base-Base interactions energy: -313.752
where: short stacking energy: -140.141
Base-Backbone interact. energy: -2.899
local terms energy: -140.304834
where:
bonds (distance) C4'-P energy: -29.217
bonds (distance) P-C4' energy: -32.379
flat angles C4'-P-C4' energy: -27.290
flat angles P-C4'-P energy: -19.304
tors. eta vs tors. theta energy: -32.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -437.384582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.384582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.384582 (E_RNA)
where:
Base-Base interactions energy: -287.217
where: short stacking energy: -132.285
Base-Backbone interact. energy: -1.269
local terms energy: -148.898407
where:
bonds (distance) C4'-P energy: -32.565
bonds (distance) P-C4' energy: -25.881
flat angles C4'-P-C4' energy: -33.144
flat angles P-C4'-P energy: -21.275
tors. eta vs tors. theta energy: -36.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -355.644280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.644280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.644280 (E_RNA)
where:
Base-Base interactions energy: -209.919
where: short stacking energy: -99.979
Base-Backbone interact. energy: -0.793
local terms energy: -144.932200
where:
bonds (distance) C4'-P energy: -33.928
bonds (distance) P-C4' energy: -30.768
flat angles C4'-P-C4' energy: -31.226
flat angles P-C4'-P energy: -23.430
tors. eta vs tors. theta energy: -25.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -336.716171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.716171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.716171 (E_RNA)
where:
Base-Base interactions energy: -220.443
where: short stacking energy: -95.745
Base-Backbone interact. energy: -0.760
local terms energy: -115.513675
where:
bonds (distance) C4'-P energy: -24.441
bonds (distance) P-C4' energy: -25.033
flat angles C4'-P-C4' energy: -31.899
flat angles P-C4'-P energy: -20.577
tors. eta vs tors. theta energy: -13.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -240.845070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.845070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.845070 (E_RNA)
where:
Base-Base interactions energy: -133.280
where: short stacking energy: -76.554
Base-Backbone interact. energy: 0.257
local terms energy: -107.822715
where:
bonds (distance) C4'-P energy: -27.093
bonds (distance) P-C4' energy: -30.316
flat angles C4'-P-C4' energy: -26.402
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -12.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -231.243435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.243435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.243435 (E_RNA)
where:
Base-Base interactions energy: -129.085
where: short stacking energy: -78.014
Base-Backbone interact. energy: -0.699
local terms energy: -101.460186
where:
bonds (distance) C4'-P energy: -30.838
bonds (distance) P-C4' energy: -29.649
flat angles C4'-P-C4' energy: -21.778
flat angles P-C4'-P energy: -16.041
tors. eta vs tors. theta energy: -3.154
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: 4
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -166.016089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.016089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.016089 (E_RNA)
where:
Base-Base interactions energy: -75.338
where: short stacking energy: -45.487
Base-Backbone interact. energy: -0.695
local terms energy: -89.983393
where:
bonds (distance) C4'-P energy: -23.783
bonds (distance) P-C4' energy: -32.716
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -7.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -502.866350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.866350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.866350 (E_RNA)
where:
Base-Base interactions energy: -362.762
where: short stacking energy: -154.164
Base-Backbone interact. energy: 0.756
local terms energy: -140.860772
where:
bonds (distance) C4'-P energy: -28.406
bonds (distance) P-C4' energy: -33.059
flat angles C4'-P-C4' energy: -22.766
flat angles P-C4'-P energy: -19.610
tors. eta vs tors. theta energy: -37.019
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: 2, replica: 6
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -522.159933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.159933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.159933 (E_RNA)
where:
Base-Base interactions energy: -361.692
where: short stacking energy: -159.170
Base-Backbone interact. energy: -0.172
local terms energy: -160.295852
where:
bonds (distance) C4'-P energy: -27.298
bonds (distance) P-C4' energy: -29.701
flat angles C4'-P-C4' energy: -36.807
flat angles P-C4'-P energy: -22.201
tors. eta vs tors. theta energy: -44.290
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: 3, replica: 1
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -452.484980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.484980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.484980 (E_RNA)
where:
Base-Base interactions energy: -290.855
where: short stacking energy: -141.165
Base-Backbone interact. energy: -0.932
local terms energy: -160.698086
where:
bonds (distance) C4'-P energy: -30.904
bonds (distance) P-C4' energy: -35.783
flat angles C4'-P-C4' energy: -32.622
flat angles P-C4'-P energy: -22.792
tors. eta vs tors. theta energy: -38.597
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: 10
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -453.728754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.728754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.728754 (E_RNA)
where:
Base-Base interactions energy: -305.771
where: short stacking energy: -138.799
Base-Backbone interact. energy: -1.354
local terms energy: -146.604570
where:
bonds (distance) C4'-P energy: -34.622
bonds (distance) P-C4' energy: -22.619
flat angles C4'-P-C4' energy: -34.526
flat angles P-C4'-P energy: -21.670
tors. eta vs tors. theta energy: -33.167
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: 5
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -424.018318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.018318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.018318 (E_RNA)
where:
Base-Base interactions energy: -273.603
where: short stacking energy: -118.681
Base-Backbone interact. energy: -0.402
local terms energy: -150.013533
where:
bonds (distance) C4'-P energy: -27.754
bonds (distance) P-C4' energy: -31.085
flat angles C4'-P-C4' energy: -28.532
flat angles P-C4'-P energy: -26.326
tors. eta vs tors. theta energy: -36.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -336.459939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.459939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.459939 (E_RNA)
where:
Base-Base interactions energy: -222.859
where: short stacking energy: -113.950
Base-Backbone interact. energy: 0.422
local terms energy: -114.023173
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -31.183
flat angles C4'-P-C4' energy: -25.245
flat angles P-C4'-P energy: -14.004
tors. eta vs tors. theta energy: -29.759
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: 7, replica: 7
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -353.100035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.100035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.100035 (E_RNA)
where:
Base-Base interactions energy: -222.222
where: short stacking energy: -118.478
Base-Backbone interact. energy: -0.693
local terms energy: -130.184260
where:
bonds (distance) C4'-P energy: -28.899
bonds (distance) P-C4' energy: -27.124
flat angles C4'-P-C4' energy: -26.085
flat angles P-C4'-P energy: -20.457
tors. eta vs tors. theta energy: -27.619
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: 9
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -230.557062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.557062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.557062 (E_RNA)
where:
Base-Base interactions energy: -124.142
where: short stacking energy: -74.394
Base-Backbone interact. energy: -1.094
local terms energy: -105.321102
where:
bonds (distance) C4'-P energy: -24.296
bonds (distance) P-C4' energy: -28.571
flat angles C4'-P-C4' energy: -29.117
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: -10.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -226.422118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.422118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.422118 (E_RNA)
where:
Base-Base interactions energy: -137.665
where: short stacking energy: -83.504
Base-Backbone interact. energy: -0.268
local terms energy: -88.488361
where:
bonds (distance) C4'-P energy: -19.322
bonds (distance) P-C4' energy: -24.184
flat angles C4'-P-C4' energy: -29.304
flat angles P-C4'-P energy: -9.171
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: 10, replica: 4
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -167.766379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.766379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.766379 (E_RNA)
where:
Base-Base interactions energy: -85.082
where: short stacking energy: -48.881
Base-Backbone interact. energy: -0.318
local terms energy: -82.366538
where:
bonds (distance) C4'-P energy: -30.602
bonds (distance) P-C4' energy: -24.233
flat angles C4'-P-C4' energy: -21.440
flat angles P-C4'-P energy: -12.405
tors. eta vs tors. theta energy: 6.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -548.643656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.643656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.643656 (E_RNA)
where:
Base-Base interactions energy: -365.224
where: short stacking energy: -168.111
Base-Backbone interact. energy: 0.125
local terms energy: -183.544732
where:
bonds (distance) C4'-P energy: -36.688
bonds (distance) P-C4' energy: -31.814
flat angles C4'-P-C4' energy: -37.235
flat angles P-C4'-P energy: -27.008
tors. eta vs tors. theta energy: -50.800
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: 2, replica: 2
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -498.834740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.834740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.834740 (E_RNA)
where:
Base-Base interactions energy: -343.180
where: short stacking energy: -148.229
Base-Backbone interact. energy: -0.575
local terms energy: -155.079230
where:
bonds (distance) C4'-P energy: -27.600
bonds (distance) P-C4' energy: -30.126
flat angles C4'-P-C4' energy: -33.961
flat angles P-C4'-P energy: -23.764
tors. eta vs tors. theta energy: -39.628
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: 10
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -471.666733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.666733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.666733 (E_RNA)
where:
Base-Base interactions energy: -320.579
where: short stacking energy: -152.218
Base-Backbone interact. energy: -1.230
local terms energy: -149.857658
where:
bonds (distance) C4'-P energy: -28.847
bonds (distance) P-C4' energy: -32.941
flat angles C4'-P-C4' energy: -28.610
flat angles P-C4'-P energy: -20.581
tors. eta vs tors. theta energy: -38.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -436.930247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.930247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.930247 (E_RNA)
where:
Base-Base interactions energy: -293.625
where: short stacking energy: -136.193
Base-Backbone interact. energy: 0.122
local terms energy: -143.427129
where:
bonds (distance) C4'-P energy: -30.231
bonds (distance) P-C4' energy: -27.585
flat angles C4'-P-C4' energy: -31.112
flat angles P-C4'-P energy: -20.793
tors. eta vs tors. theta energy: -33.706
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: 5, replica: 5
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -438.202681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.202681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.202681 (E_RNA)
where:
Base-Base interactions energy: -292.451
where: short stacking energy: -122.577
Base-Backbone interact. energy: -0.144
local terms energy: -145.607668
where:
bonds (distance) C4'-P energy: -18.695
bonds (distance) P-C4' energy: -36.509
flat angles C4'-P-C4' energy: -30.387
flat angles P-C4'-P energy: -22.618
tors. eta vs tors. theta energy: -37.398
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: 3
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -345.441805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.441805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.441805 (E_RNA)
where:
Base-Base interactions energy: -209.331
where: short stacking energy: -101.095
Base-Backbone interact. energy: 0.058
local terms energy: -136.169289
where:
bonds (distance) C4'-P energy: -32.961
bonds (distance) P-C4' energy: -35.325
flat angles C4'-P-C4' energy: -27.344
flat angles P-C4'-P energy: -19.835
tors. eta vs tors. theta energy: -20.705
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: 7
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -321.538960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.538960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.538960 (E_RNA)
where:
Base-Base interactions energy: -206.458
where: short stacking energy: -87.816
Base-Backbone interact. energy: -0.357
local terms energy: -114.724343
where:
bonds (distance) C4'-P energy: -27.039
bonds (distance) P-C4' energy: -29.400
flat angles C4'-P-C4' energy: -17.539
flat angles P-C4'-P energy: -22.476
tors. eta vs tors. theta energy: -18.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -232.948438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.948438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.948438 (E_RNA)
where:
Base-Base interactions energy: -126.327
where: short stacking energy: -64.590
Base-Backbone interact. energy: -0.632
local terms energy: -105.989289
where:
bonds (distance) C4'-P energy: -27.200
bonds (distance) P-C4' energy: -33.230
flat angles C4'-P-C4' energy: -23.307
flat angles P-C4'-P energy: -17.344
tors. eta vs tors. theta energy: -4.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -230.743339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.743339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.743339 (E_RNA)
where:
Base-Base interactions energy: -133.061
where: short stacking energy: -67.355
Base-Backbone interact. energy: -2.356
local terms energy: -95.326033
where:
bonds (distance) C4'-P energy: -25.937
bonds (distance) P-C4' energy: -28.537
flat angles C4'-P-C4' energy: -27.771
flat angles P-C4'-P energy: -6.086
tors. eta vs tors. theta energy: -6.994
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: 4
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -154.340881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.340881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.340881 (E_RNA)
where:
Base-Base interactions energy: -63.586
where: short stacking energy: -43.990
Base-Backbone interact. energy: -0.668
local terms energy: -90.086328
where:
bonds (distance) C4'-P energy: -24.046
bonds (distance) P-C4' energy: -33.045
flat angles C4'-P-C4' energy: -20.497
flat angles P-C4'-P energy: -14.934
tors. eta vs tors. theta energy: 2.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -539.020273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.020273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.020273 (E_RNA)
where:
Base-Base interactions energy: -360.309
where: short stacking energy: -163.105
Base-Backbone interact. energy: -0.320
local terms energy: -178.391534
where:
bonds (distance) C4'-P energy: -31.925
bonds (distance) P-C4' energy: -35.221
flat angles C4'-P-C4' energy: -37.676
flat angles P-C4'-P energy: -25.407
tors. eta vs tors. theta energy: -48.163
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: 2, replica: 10
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -497.362241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.362241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.362241 (E_RNA)
where:
Base-Base interactions energy: -326.599
where: short stacking energy: -145.200
Base-Backbone interact. energy: -0.850
local terms energy: -169.913442
where:
bonds (distance) C4'-P energy: -30.808
bonds (distance) P-C4' energy: -33.031
flat angles C4'-P-C4' energy: -35.857
flat angles P-C4'-P energy: -29.369
tors. eta vs tors. theta energy: -40.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -498.756824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.756824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.756824 (E_RNA)
where:
Base-Base interactions energy: -336.570
where: short stacking energy: -149.623
Base-Backbone interact. energy: -1.337
local terms energy: -160.850403
where:
bonds (distance) C4'-P energy: -30.445
bonds (distance) P-C4' energy: -28.043
flat angles C4'-P-C4' energy: -33.340
flat angles P-C4'-P energy: -23.733
tors. eta vs tors. theta energy: -45.290
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: 4, replica: 5
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -473.385645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.385645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.385645 (E_RNA)
where:
Base-Base interactions energy: -321.647
where: short stacking energy: -149.219
Base-Backbone interact. energy: -1.268
local terms energy: -150.470894
where:
bonds (distance) C4'-P energy: -27.556
bonds (distance) P-C4' energy: -32.054
flat angles C4'-P-C4' energy: -32.817
flat angles P-C4'-P energy: -15.809
tors. eta vs tors. theta energy: -42.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -428.478248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.478248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.478248 (E_RNA)
where:
Base-Base interactions energy: -274.556
where: short stacking energy: -133.199
Base-Backbone interact. energy: -1.113
local terms energy: -152.808816
where:
bonds (distance) C4'-P energy: -31.733
bonds (distance) P-C4' energy: -34.033
flat angles C4'-P-C4' energy: -32.491
flat angles P-C4'-P energy: -17.590
tors. eta vs tors. theta energy: -36.961
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: 7
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -331.875401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.875401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.875401 (E_RNA)
where:
Base-Base interactions energy: -204.044
where: short stacking energy: -85.081
Base-Backbone interact. energy: -0.065
local terms energy: -127.766396
where:
bonds (distance) C4'-P energy: -29.821
bonds (distance) P-C4' energy: -29.883
flat angles C4'-P-C4' energy: -31.057
flat angles P-C4'-P energy: -22.168
tors. eta vs tors. theta energy: -14.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -355.363634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.363634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.363634 (E_RNA)
where:
Base-Base interactions energy: -227.102
where: short stacking energy: -102.458
Base-Backbone interact. energy: -0.862
local terms energy: -127.400370
where:
bonds (distance) C4'-P energy: -28.151
bonds (distance) P-C4' energy: -24.088
flat angles C4'-P-C4' energy: -32.274
flat angles P-C4'-P energy: -17.672
tors. eta vs tors. theta energy: -25.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -241.481538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.481538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.481538 (E_RNA)
where:
Base-Base interactions energy: -135.412
where: short stacking energy: -74.825
Base-Backbone interact. energy: -2.364
local terms energy: -103.705369
where:
bonds (distance) C4'-P energy: -22.112
bonds (distance) P-C4' energy: -29.629
flat angles C4'-P-C4' energy: -27.956
flat angles P-C4'-P energy: -14.983
tors. eta vs tors. theta energy: -9.025
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: 8
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -254.446838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.446838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.446838 (E_RNA)
where:
Base-Base interactions energy: -153.906
where: short stacking energy: -84.555
Base-Backbone interact. energy: -0.147
local terms energy: -100.394103
where:
bonds (distance) C4'-P energy: -19.922
bonds (distance) P-C4' energy: -21.176
flat angles C4'-P-C4' energy: -25.811
flat angles P-C4'-P energy: -13.525
tors. eta vs tors. theta energy: -19.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -162.966478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.966478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.966478 (E_RNA)
where:
Base-Base interactions energy: -75.877
where: short stacking energy: -64.110
Base-Backbone interact. energy: 1.081
local terms energy: -88.170355
where:
bonds (distance) C4'-P energy: -28.565
bonds (distance) P-C4' energy: -34.475
flat angles C4'-P-C4' energy: -25.499
flat angles P-C4'-P energy: 1.754
tors. eta vs tors. theta energy: -1.385
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: 6
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -543.859770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.859770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.859770 (E_RNA)
where:
Base-Base interactions energy: -373.419
where: short stacking energy: -168.383
Base-Backbone interact. energy: 0.230
local terms energy: -170.670758
where:
bonds (distance) C4'-P energy: -31.335
bonds (distance) P-C4' energy: -35.080
flat angles C4'-P-C4' energy: -34.024
flat angles P-C4'-P energy: -25.387
tors. eta vs tors. theta energy: -44.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -498.695816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.695816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.695816 (E_RNA)
where:
Base-Base interactions energy: -340.964
where: short stacking energy: -147.560
Base-Backbone interact. energy: -1.050
local terms energy: -156.682294
where:
bonds (distance) C4'-P energy: -28.521
bonds (distance) P-C4' energy: -35.923
flat angles C4'-P-C4' energy: -26.184
flat angles P-C4'-P energy: -27.136
tors. eta vs tors. theta energy: -38.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -495.815101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.815101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.815101 (E_RNA)
where:
Base-Base interactions energy: -340.897
where: short stacking energy: -138.899
Base-Backbone interact. energy: -0.430
local terms energy: -154.488725
where:
bonds (distance) C4'-P energy: -27.290
bonds (distance) P-C4' energy: -31.977
flat angles C4'-P-C4' energy: -29.918
flat angles P-C4'-P energy: -26.422
tors. eta vs tors. theta energy: -38.881
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: 4, replica: 5
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -458.882984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.882984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.882984 (E_RNA)
where:
Base-Base interactions energy: -303.583
where: short stacking energy: -146.275
Base-Backbone interact. energy: 0.293
local terms energy: -155.593289
where:
bonds (distance) C4'-P energy: -27.700
bonds (distance) P-C4' energy: -30.390
flat angles C4'-P-C4' energy: -27.584
flat angles P-C4'-P energy: -25.015
tors. eta vs tors. theta energy: -44.903
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: 1
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -418.393976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.393976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.393976 (E_RNA)
where:
Base-Base interactions energy: -269.374
where: short stacking energy: -131.917
Base-Backbone interact. energy: -0.134
local terms energy: -148.886317
where:
bonds (distance) C4'-P energy: -30.322
bonds (distance) P-C4' energy: -35.879
flat angles C4'-P-C4' energy: -27.032
flat angles P-C4'-P energy: -23.941
tors. eta vs tors. theta energy: -31.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -335.456607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.456607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.456607 (E_RNA)
where:
Base-Base interactions energy: -200.466
where: short stacking energy: -96.531
Base-Backbone interact. energy: 0.017
local terms energy: -135.007889
where:
bonds (distance) C4'-P energy: -30.200
bonds (distance) P-C4' energy: -29.724
flat angles C4'-P-C4' energy: -28.299
flat angles P-C4'-P energy: -21.546
tors. eta vs tors. theta energy: -25.238
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: 3
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -338.506667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.506667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.506667 (E_RNA)
where:
Base-Base interactions energy: -197.302
where: short stacking energy: -99.592
Base-Backbone interact. energy: -0.746
local terms energy: -140.458095
where:
bonds (distance) C4'-P energy: -33.654
bonds (distance) P-C4' energy: -31.788
flat angles C4'-P-C4' energy: -34.975
flat angles P-C4'-P energy: -17.268
tors. eta vs tors. theta energy: -22.774
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: 9
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -240.323394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.323394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.323394 (E_RNA)
where:
Base-Base interactions energy: -125.603
where: short stacking energy: -67.299
Base-Backbone interact. energy: 3.137
local terms energy: -117.857951
where:
bonds (distance) C4'-P energy: -34.352
bonds (distance) P-C4' energy: -32.176
flat angles C4'-P-C4' energy: -25.731
flat angles P-C4'-P energy: -24.554
tors. eta vs tors. theta energy: -1.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -160.239479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.239479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.239479 (E_RNA)
where:
Base-Base interactions energy: -56.616
where: short stacking energy: -55.121
Base-Backbone interact. energy: 1.231
local terms energy: -104.854599
where:
bonds (distance) C4'-P energy: -25.789
bonds (distance) P-C4' energy: -32.295
flat angles C4'-P-C4' energy: -23.873
flat angles P-C4'-P energy: -15.250
tors. eta vs tors. theta energy: -7.649
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: 8
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -219.531389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.531389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.531389 (E_RNA)
where:
Base-Base interactions energy: -122.723
where: short stacking energy: -74.816
Base-Backbone interact. energy: -1.387
local terms energy: -95.421343
where:
bonds (distance) C4'-P energy: -24.333
bonds (distance) P-C4' energy: -17.822
flat angles C4'-P-C4' energy: -36.561
flat angles P-C4'-P energy: -4.208
tors. eta vs tors. theta energy: -12.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -541.055704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.055704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.055704 (E_RNA)
where:
Base-Base interactions energy: -372.720
where: short stacking energy: -164.381
Base-Backbone interact. energy: -0.245
local terms energy: -168.090660
where:
bonds (distance) C4'-P energy: -34.584
bonds (distance) P-C4' energy: -29.905
flat angles C4'-P-C4' energy: -36.202
flat angles P-C4'-P energy: -20.312
tors. eta vs tors. theta energy: -47.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -527.281641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.281641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.281641 (E_RNA)
where:
Base-Base interactions energy: -369.661
where: short stacking energy: -165.761
Base-Backbone interact. energy: -0.961
local terms energy: -156.659308
where:
bonds (distance) C4'-P energy: -30.943
bonds (distance) P-C4' energy: -25.819
flat angles C4'-P-C4' energy: -32.665
flat angles P-C4'-P energy: -15.421
tors. eta vs tors. theta energy: -51.810
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: 183
Temperature: 1.000000
Total energy: -480.329437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.329437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.329437 (E_RNA)
where:
Base-Base interactions energy: -329.609
where: short stacking energy: -146.882
Base-Backbone interact. energy: -1.668
local terms energy: -149.052611
where:
bonds (distance) C4'-P energy: -28.740
bonds (distance) P-C4' energy: -28.859
flat angles C4'-P-C4' energy: -34.941
flat angles P-C4'-P energy: -19.147
tors. eta vs tors. theta energy: -37.365
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: 1
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -431.533852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.533852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.533852 (E_RNA)
where:
Base-Base interactions energy: -285.513
where: short stacking energy: -124.244
Base-Backbone interact. energy: -0.667
local terms energy: -145.353513
where:
bonds (distance) C4'-P energy: -31.079
bonds (distance) P-C4' energy: -32.192
flat angles C4'-P-C4' energy: -33.130
flat angles P-C4'-P energy: -15.726
tors. eta vs tors. theta energy: -33.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -445.327621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.327621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.327621 (E_RNA)
where:
Base-Base interactions energy: -302.268
where: short stacking energy: -123.173
Base-Backbone interact. energy: -0.608
local terms energy: -142.451593
where:
bonds (distance) C4'-P energy: -37.185
bonds (distance) P-C4' energy: -26.647
flat angles C4'-P-C4' energy: -29.397
flat angles P-C4'-P energy: -13.562
tors. eta vs tors. theta energy: -35.660
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: 183
Temperature: 1.150000
Total energy: -358.489515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.489515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.489515 (E_RNA)
where:
Base-Base interactions energy: -224.132
where: short stacking energy: -126.415
Base-Backbone interact. energy: -0.084
local terms energy: -134.273502
where:
bonds (distance) C4'-P energy: -25.504
bonds (distance) P-C4' energy: -27.398
flat angles C4'-P-C4' energy: -33.738
flat angles P-C4'-P energy: -18.894
tors. eta vs tors. theta energy: -28.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -338.890190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.890190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.890190 (E_RNA)
where:
Base-Base interactions energy: -214.154
where: short stacking energy: -108.720
Base-Backbone interact. energy: -0.412
local terms energy: -124.324185
where:
bonds (distance) C4'-P energy: -32.917
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -21.164
flat angles P-C4'-P energy: -19.480
tors. eta vs tors. theta energy: -31.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -250.344675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.344675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.344675 (E_RNA)
where:
Base-Base interactions energy: -126.305
where: short stacking energy: -64.983
Base-Backbone interact. energy: -0.930
local terms energy: -123.110142
where:
bonds (distance) C4'-P energy: -30.692
bonds (distance) P-C4' energy: -36.968
flat angles C4'-P-C4' energy: -27.169
flat angles P-C4'-P energy: -15.900
tors. eta vs tors. theta energy: -12.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -157.196229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.196229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.196229 (E_RNA)
where:
Base-Base interactions energy: -45.220
where: short stacking energy: -45.045
Base-Backbone interact. energy: 1.920
local terms energy: -113.896021
where:
bonds (distance) C4'-P energy: -25.940
bonds (distance) P-C4' energy: -32.996
flat angles C4'-P-C4' energy: -25.817
flat angles P-C4'-P energy: -20.723
tors. eta vs tors. theta energy: -8.421
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: 8
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -216.974863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.974863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.974863 (E_RNA)
where:
Base-Base interactions energy: -128.381
where: short stacking energy: -64.683
Base-Backbone interact. energy: 2.205
local terms energy: -90.798905
where:
bonds (distance) C4'-P energy: -22.527
bonds (distance) P-C4' energy: -29.941
flat angles C4'-P-C4' energy: -30.262
flat angles P-C4'-P energy: -5.864
tors. eta vs tors. theta energy: -2.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -547.900054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.900054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.900054 (E_RNA)
where:
Base-Base interactions energy: -380.777
where: short stacking energy: -166.913
Base-Backbone interact. energy: -0.027
local terms energy: -167.096796
where:
bonds (distance) C4'-P energy: -31.696
bonds (distance) P-C4' energy: -25.985
flat angles C4'-P-C4' energy: -33.159
flat angles P-C4'-P energy: -27.172
tors. eta vs tors. theta energy: -49.085
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: 2
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -519.916315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.916315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.916315 (E_RNA)
where:
Base-Base interactions energy: -339.248
where: short stacking energy: -148.299
Base-Backbone interact. energy: -0.441
local terms energy: -180.227472
where:
bonds (distance) C4'-P energy: -34.540
bonds (distance) P-C4' energy: -34.121
flat angles C4'-P-C4' energy: -35.472
flat angles P-C4'-P energy: -28.086
tors. eta vs tors. theta energy: -48.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -445.935479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.935479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.935479 (E_RNA)
where:
Base-Base interactions energy: -286.360
where: short stacking energy: -130.169
Base-Backbone interact. energy: -2.648
local terms energy: -156.927626
where:
bonds (distance) C4'-P energy: -30.996
bonds (distance) P-C4' energy: -30.498
flat angles C4'-P-C4' energy: -34.078
flat angles P-C4'-P energy: -23.669
tors. eta vs tors. theta energy: -37.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -472.153396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.153396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.153396 (E_RNA)
where:
Base-Base interactions energy: -310.038
where: short stacking energy: -137.437
Base-Backbone interact. energy: -0.175
local terms energy: -161.940294
where:
bonds (distance) C4'-P energy: -31.791
bonds (distance) P-C4' energy: -34.567
flat angles C4'-P-C4' energy: -34.578
flat angles P-C4'-P energy: -20.981
tors. eta vs tors. theta energy: -40.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -432.610004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.610004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.610004 (E_RNA)
where:
Base-Base interactions energy: -294.503
where: short stacking energy: -136.242
Base-Backbone interact. energy: -1.318
local terms energy: -136.788109
where:
bonds (distance) C4'-P energy: -29.087
bonds (distance) P-C4' energy: -23.638
flat angles C4'-P-C4' energy: -26.665
flat angles P-C4'-P energy: -19.314
tors. eta vs tors. theta energy: -38.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -364.660789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.660789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.660789 (E_RNA)
where:
Base-Base interactions energy: -225.213
where: short stacking energy: -125.427
Base-Backbone interact. energy: 0.037
local terms energy: -139.485040
where:
bonds (distance) C4'-P energy: -23.137
bonds (distance) P-C4' energy: -27.511
flat angles C4'-P-C4' energy: -29.546
flat angles P-C4'-P energy: -26.082
tors. eta vs tors. theta energy: -33.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -369.273224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.273224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.273224 (E_RNA)
where:
Base-Base interactions energy: -218.695
where: short stacking energy: -97.515
Base-Backbone interact. energy: -1.293
local terms energy: -149.285674
where:
bonds (distance) C4'-P energy: -34.690
bonds (distance) P-C4' energy: -32.836
flat angles C4'-P-C4' energy: -30.015
flat angles P-C4'-P energy: -25.698
tors. eta vs tors. theta energy: -26.047
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: 9
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -258.360786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.360786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.360786 (E_RNA)
where:
Base-Base interactions energy: -152.311
where: short stacking energy: -80.039
Base-Backbone interact. energy: -0.598
local terms energy: -105.451625
where:
bonds (distance) C4'-P energy: -22.868
bonds (distance) P-C4' energy: -30.088
flat angles C4'-P-C4' energy: -26.441
flat angles P-C4'-P energy: -13.196
tors. eta vs tors. theta energy: -12.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -223.802930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.802930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.802930 (E_RNA)
where:
Base-Base interactions energy: -138.508
where: short stacking energy: -74.821
Base-Backbone interact. energy: 0.124
local terms energy: -85.418796
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -23.369
flat angles C4'-P-C4' energy: -20.648
flat angles P-C4'-P energy: -13.492
tors. eta vs tors. theta energy: -12.802
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: 4
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -167.617050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.617050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.617050 (E_RNA)
where:
Base-Base interactions energy: -67.194
where: short stacking energy: -63.354
Base-Backbone interact. energy: 0.452
local terms energy: -100.875622
where:
bonds (distance) C4'-P energy: -29.858
bonds (distance) P-C4' energy: -26.189
flat angles C4'-P-C4' energy: -26.502
flat angles P-C4'-P energy: -12.827
tors. eta vs tors. theta energy: -5.499
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: 6
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -553.066753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.066753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.066753 (E_RNA)
where:
Base-Base interactions energy: -380.641
where: short stacking energy: -171.808
Base-Backbone interact. energy: -0.876
local terms energy: -171.549859
where:
bonds (distance) C4'-P energy: -33.560
bonds (distance) P-C4' energy: -28.859
flat angles C4'-P-C4' energy: -36.169
flat angles P-C4'-P energy: -24.531
tors. eta vs tors. theta energy: -48.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -527.508208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.508208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.508208 (E_RNA)
where:
Base-Base interactions energy: -363.599
where: short stacking energy: -159.847
Base-Backbone interact. energy: -0.017
local terms energy: -163.892181
where:
bonds (distance) C4'-P energy: -27.724
bonds (distance) P-C4' energy: -28.073
flat angles C4'-P-C4' energy: -35.884
flat angles P-C4'-P energy: -28.730
tors. eta vs tors. theta energy: -43.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -459.501862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.501862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.501862 (E_RNA)
where:
Base-Base interactions energy: -297.144
where: short stacking energy: -147.581
Base-Backbone interact. energy: -0.426
local terms energy: -161.931765
where:
bonds (distance) C4'-P energy: -31.348
bonds (distance) P-C4' energy: -33.602
flat angles C4'-P-C4' energy: -36.057
flat angles P-C4'-P energy: -20.263
tors. eta vs tors. theta energy: -40.662
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: 4, replica: 10
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -466.647522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.647522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.647522 (E_RNA)
where:
Base-Base interactions energy: -303.888
where: short stacking energy: -135.375
Base-Backbone interact. energy: -1.211
local terms energy: -161.548326
where:
bonds (distance) C4'-P energy: -29.137
bonds (distance) P-C4' energy: -35.720
flat angles C4'-P-C4' energy: -36.481
flat angles P-C4'-P energy: -23.301
tors. eta vs tors. theta energy: -36.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -434.126009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.126009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.126009 (E_RNA)
where:
Base-Base interactions energy: -286.395
where: short stacking energy: -135.932
Base-Backbone interact. energy: -0.032
local terms energy: -147.698609
where:
bonds (distance) C4'-P energy: -30.722
bonds (distance) P-C4' energy: -25.162
flat angles C4'-P-C4' energy: -30.279
flat angles P-C4'-P energy: -21.480
tors. eta vs tors. theta energy: -40.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -337.653762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.653762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.653762 (E_RNA)
where:
Base-Base interactions energy: -213.074
where: short stacking energy: -110.201
Base-Backbone interact. energy: -0.319
local terms energy: -124.260929
where:
bonds (distance) C4'-P energy: -26.070
bonds (distance) P-C4' energy: -26.385
flat angles C4'-P-C4' energy: -25.175
flat angles P-C4'-P energy: -20.351
tors. eta vs tors. theta energy: -26.279
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: 3
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -349.018714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.018714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.018714 (E_RNA)
where:
Base-Base interactions energy: -213.684
where: short stacking energy: -110.375
Base-Backbone interact. energy: -0.120
local terms energy: -135.215067
where:
bonds (distance) C4'-P energy: -30.003
bonds (distance) P-C4' energy: -28.157
flat angles C4'-P-C4' energy: -26.282
flat angles P-C4'-P energy: -22.923
tors. eta vs tors. theta energy: -27.850
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: 9
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -226.159729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.159729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.159729 (E_RNA)
where:
Base-Base interactions energy: -131.378
where: short stacking energy: -64.556
Base-Backbone interact. energy: -0.509
local terms energy: -94.273282
where:
bonds (distance) C4'-P energy: -23.920
bonds (distance) P-C4' energy: -28.032
flat angles C4'-P-C4' energy: -26.206
flat angles P-C4'-P energy: -15.315
tors. eta vs tors. theta energy: -0.800
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: 8
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -224.167810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.167810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.167810 (E_RNA)
where:
Base-Base interactions energy: -120.028
where: short stacking energy: -62.064
Base-Backbone interact. energy: -0.327
local terms energy: -103.813130
where:
bonds (distance) C4'-P energy: -24.696
bonds (distance) P-C4' energy: -34.327
flat angles C4'-P-C4' energy: -24.740
flat angles P-C4'-P energy: -15.799
tors. eta vs tors. theta energy: -4.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -154.142499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.142499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.142499 (E_RNA)
where:
Base-Base interactions energy: -55.695
where: short stacking energy: -47.201
Base-Backbone interact. energy: 0.558
local terms energy: -99.005165
where:
bonds (distance) C4'-P energy: -29.745
bonds (distance) P-C4' energy: -21.614
flat angles C4'-P-C4' energy: -25.544
flat angles P-C4'-P energy: -18.640
tors. eta vs tors. theta energy: -3.462
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: 6
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -560.241166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.241166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.241166 (E_RNA)
where:
Base-Base interactions energy: -391.870
where: short stacking energy: -179.794
Base-Backbone interact. energy: -0.564
local terms energy: -167.806599
where:
bonds (distance) C4'-P energy: -27.043
bonds (distance) P-C4' energy: -35.574
flat angles C4'-P-C4' energy: -28.863
flat angles P-C4'-P energy: -23.866
tors. eta vs tors. theta energy: -52.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -519.358652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.358652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.358652 (E_RNA)
where:
Base-Base interactions energy: -363.229
where: short stacking energy: -145.370
Base-Backbone interact. energy: -1.109
local terms energy: -155.021305
where:
bonds (distance) C4'-P energy: -25.060
bonds (distance) P-C4' energy: -35.220
flat angles C4'-P-C4' energy: -30.380
flat angles P-C4'-P energy: -18.256
tors. eta vs tors. theta energy: -46.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -480.089443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.089443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.089443 (E_RNA)
where:
Base-Base interactions energy: -324.542
where: short stacking energy: -149.716
Base-Backbone interact. energy: -2.266
local terms energy: -153.281651
where:
bonds (distance) C4'-P energy: -32.350
bonds (distance) P-C4' energy: -29.654
flat angles C4'-P-C4' energy: -34.238
flat angles P-C4'-P energy: -18.586
tors. eta vs tors. theta energy: -38.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -453.771699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.771699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.771699 (E_RNA)
where:
Base-Base interactions energy: -293.840
where: short stacking energy: -134.602
Base-Backbone interact. energy: -1.794
local terms energy: -158.138554
where:
bonds (distance) C4'-P energy: -35.236
bonds (distance) P-C4' energy: -29.486
flat angles C4'-P-C4' energy: -34.169
flat angles P-C4'-P energy: -20.427
tors. eta vs tors. theta energy: -38.820
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: 186
Temperature: 1.100000
Total energy: -436.781055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.781055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.781055 (E_RNA)
where:
Base-Base interactions energy: -288.425
where: short stacking energy: -133.306
Base-Backbone interact. energy: 0.734
local terms energy: -149.090260
where:
bonds (distance) C4'-P energy: -30.857
bonds (distance) P-C4' energy: -32.366
flat angles C4'-P-C4' energy: -31.399
flat angles P-C4'-P energy: -21.005
tors. eta vs tors. theta energy: -33.463
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: 7
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -348.299986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.299986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.299986 (E_RNA)
where:
Base-Base interactions energy: -214.231
where: short stacking energy: -103.236
Base-Backbone interact. energy: -0.004
local terms energy: -134.065274
where:
bonds (distance) C4'-P energy: -30.085
bonds (distance) P-C4' energy: -27.806
flat angles C4'-P-C4' energy: -30.306
flat angles P-C4'-P energy: -18.677
tors. eta vs tors. theta energy: -27.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -332.502001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.502001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.502001 (E_RNA)
where:
Base-Base interactions energy: -204.877
where: short stacking energy: -95.774
Base-Backbone interact. energy: -0.815
local terms energy: -126.809718
where:
bonds (distance) C4'-P energy: -30.313
bonds (distance) P-C4' energy: -29.436
flat angles C4'-P-C4' energy: -33.027
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -23.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -253.441117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.441117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.441117 (E_RNA)
where:
Base-Base interactions energy: -143.360
where: short stacking energy: -91.062
Base-Backbone interact. energy: 0.814
local terms energy: -110.894941
where:
bonds (distance) C4'-P energy: -26.010
bonds (distance) P-C4' energy: -29.822
flat angles C4'-P-C4' energy: -28.315
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -15.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -228.549859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.549859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.549859 (E_RNA)
where:
Base-Base interactions energy: -120.801
where: short stacking energy: -70.326
Base-Backbone interact. energy: -0.780
local terms energy: -106.968821
where:
bonds (distance) C4'-P energy: -22.760
bonds (distance) P-C4' energy: -34.342
flat angles C4'-P-C4' energy: -29.754
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -9.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -148.040293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.040293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.040293 (E_RNA)
where:
Base-Base interactions energy: -53.337
where: short stacking energy: -50.538
Base-Backbone interact. energy: 1.654
local terms energy: -96.357734
where:
bonds (distance) C4'-P energy: -24.393
bonds (distance) P-C4' energy: -21.249
flat angles C4'-P-C4' energy: -33.614
flat angles P-C4'-P energy: -14.597
tors. eta vs tors. theta energy: -2.505
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: 6
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -541.084497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.084497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.084497 (E_RNA)
where:
Base-Base interactions energy: -380.008
where: short stacking energy: -174.301
Base-Backbone interact. energy: -0.237
local terms energy: -160.839592
where:
bonds (distance) C4'-P energy: -31.668
bonds (distance) P-C4' energy: -28.323
flat angles C4'-P-C4' energy: -37.170
flat angles P-C4'-P energy: -20.412
tors. eta vs tors. theta energy: -43.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -516.456856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.456856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.456856 (E_RNA)
where:
Base-Base interactions energy: -363.734
where: short stacking energy: -159.249
Base-Backbone interact. energy: -0.119
local terms energy: -152.603855
where:
bonds (distance) C4'-P energy: -26.787
bonds (distance) P-C4' energy: -28.820
flat angles C4'-P-C4' energy: -32.178
flat angles P-C4'-P energy: -17.908
tors. eta vs tors. theta energy: -46.911
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: 10
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -481.210460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.210460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.210460 (E_RNA)
where:
Base-Base interactions energy: -315.981
where: short stacking energy: -137.774
Base-Backbone interact. energy: -1.178
local terms energy: -164.051194
where:
bonds (distance) C4'-P energy: -36.555
bonds (distance) P-C4' energy: -29.598
flat angles C4'-P-C4' energy: -34.361
flat angles P-C4'-P energy: -25.284
tors. eta vs tors. theta energy: -38.253
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: 187
Temperature: 1.050000
Total energy: -441.391628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.391628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.391628 (E_RNA)
where:
Base-Base interactions energy: -294.678
where: short stacking energy: -121.329
Base-Backbone interact. energy: -0.528
local terms energy: -146.186200
where:
bonds (distance) C4'-P energy: -32.015
bonds (distance) P-C4' energy: -31.185
flat angles C4'-P-C4' energy: -26.775
flat angles P-C4'-P energy: -25.167
tors. eta vs tors. theta energy: -31.044
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: 5, replica: 1
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -431.554093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.554093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.554093 (E_RNA)
where:
Base-Base interactions energy: -285.891
where: short stacking energy: -136.342
Base-Backbone interact. energy: -0.125
local terms energy: -145.538581
where:
bonds (distance) C4'-P energy: -28.573
bonds (distance) P-C4' energy: -33.415
flat angles C4'-P-C4' energy: -31.494
flat angles P-C4'-P energy: -15.431
tors. eta vs tors. theta energy: -36.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -338.910787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.910787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.910787 (E_RNA)
where:
Base-Base interactions energy: -217.878
where: short stacking energy: -112.612
Base-Backbone interact. energy: -0.038
local terms energy: -120.994807
where:
bonds (distance) C4'-P energy: -28.762
bonds (distance) P-C4' energy: -31.422
flat angles C4'-P-C4' energy: -29.898
flat angles P-C4'-P energy: -10.303
tors. eta vs tors. theta energy: -20.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -354.373998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.373998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.373998 (E_RNA)
where:
Base-Base interactions energy: -204.353
where: short stacking energy: -112.421
Base-Backbone interact. energy: -0.378
local terms energy: -149.643153
where:
bonds (distance) C4'-P energy: -32.118
bonds (distance) P-C4' energy: -29.576
flat angles C4'-P-C4' energy: -34.320
flat angles P-C4'-P energy: -23.051
tors. eta vs tors. theta energy: -30.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -246.385271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.385271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.385271 (E_RNA)
where:
Base-Base interactions energy: -143.271
where: short stacking energy: -82.405
Base-Backbone interact. energy: -1.318
local terms energy: -101.796673
where:
bonds (distance) C4'-P energy: -24.549
bonds (distance) P-C4' energy: -22.472
flat angles C4'-P-C4' energy: -20.300
flat angles P-C4'-P energy: -18.783
tors. eta vs tors. theta energy: -15.693
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: 8
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -226.752672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.752672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.752672 (E_RNA)
where:
Base-Base interactions energy: -130.883
where: short stacking energy: -58.998
Base-Backbone interact. energy: -0.959
local terms energy: -94.910173
where:
bonds (distance) C4'-P energy: -21.475
bonds (distance) P-C4' energy: -34.562
flat angles C4'-P-C4' energy: -29.262
flat angles P-C4'-P energy: -12.834
tors. eta vs tors. theta energy: 3.223
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: 4
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -165.620785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.620785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.620785 (E_RNA)
where:
Base-Base interactions energy: -72.910
where: short stacking energy: -41.963
Base-Backbone interact. energy: -0.780
local terms energy: -91.930592
where:
bonds (distance) C4'-P energy: -22.925
bonds (distance) P-C4' energy: -31.461
flat angles C4'-P-C4' energy: -25.881
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: 0.197
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: 2
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -534.210702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.210702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.210702 (E_RNA)
where:
Base-Base interactions energy: -353.449
where: short stacking energy: -157.192
Base-Backbone interact. energy: -0.807
local terms energy: -179.954863
where:
bonds (distance) C4'-P energy: -33.749
bonds (distance) P-C4' energy: -37.220
flat angles C4'-P-C4' energy: -36.268
flat angles P-C4'-P energy: -27.899
tors. eta vs tors. theta energy: -44.818
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: 6
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -533.626096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.626096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.626096 (E_RNA)
where:
Base-Base interactions energy: -374.654
where: short stacking energy: -168.990
Base-Backbone interact. energy: -0.577
local terms energy: -158.394283
where:
bonds (distance) C4'-P energy: -26.181
bonds (distance) P-C4' energy: -30.129
flat angles C4'-P-C4' energy: -33.315
flat angles P-C4'-P energy: -21.192
tors. eta vs tors. theta energy: -47.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -489.901234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.901234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.901234 (E_RNA)
where:
Base-Base interactions energy: -327.564
where: short stacking energy: -149.559
Base-Backbone interact. energy: -1.683
local terms energy: -160.653772
where:
bonds (distance) C4'-P energy: -33.739
bonds (distance) P-C4' energy: -27.028
flat angles C4'-P-C4' energy: -35.915
flat angles P-C4'-P energy: -21.601
tors. eta vs tors. theta energy: -42.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -461.943676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.943676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.943676 (E_RNA)
where:
Base-Base interactions energy: -315.535
where: short stacking energy: -146.621
Base-Backbone interact. energy: -1.752
local terms energy: -144.656478
where:
bonds (distance) C4'-P energy: -24.180
bonds (distance) P-C4' energy: -30.667
flat angles C4'-P-C4' energy: -30.029
flat angles P-C4'-P energy: -21.827
tors. eta vs tors. theta energy: -37.954
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: 1
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -436.775860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.775860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.775860 (E_RNA)
where:
Base-Base interactions energy: -285.894
where: short stacking energy: -126.187
Base-Backbone interact. energy: -0.018
local terms energy: -150.863792
where:
bonds (distance) C4'-P energy: -27.923
bonds (distance) P-C4' energy: -33.357
flat angles C4'-P-C4' energy: -29.925
flat angles P-C4'-P energy: -24.363
tors. eta vs tors. theta energy: -35.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -352.595642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.595642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.595642 (E_RNA)
where:
Base-Base interactions energy: -219.462
where: short stacking energy: -105.530
Base-Backbone interact. energy: -0.666
local terms energy: -132.466949
where:
bonds (distance) C4'-P energy: -28.865
bonds (distance) P-C4' energy: -25.550
flat angles C4'-P-C4' energy: -33.444
flat angles P-C4'-P energy: -18.349
tors. eta vs tors. theta energy: -26.260
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: 7
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -358.064764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.064764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.064764 (E_RNA)
where:
Base-Base interactions energy: -211.466
where: short stacking energy: -115.638
Base-Backbone interact. energy: 0.846
local terms energy: -147.445305
where:
bonds (distance) C4'-P energy: -32.329
bonds (distance) P-C4' energy: -32.655
flat angles C4'-P-C4' energy: -33.134
flat angles P-C4'-P energy: -20.023
tors. eta vs tors. theta energy: -29.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -237.008905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.008905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.008905 (E_RNA)
where:
Base-Base interactions energy: -128.464
where: short stacking energy: -76.319
Base-Backbone interact. energy: 0.076
local terms energy: -108.620124
where:
bonds (distance) C4'-P energy: -32.383
bonds (distance) P-C4' energy: -30.886
flat angles C4'-P-C4' energy: -24.155
flat angles P-C4'-P energy: -14.507
tors. eta vs tors. theta energy: -6.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -170.326248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.326248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.326248 (E_RNA)
where:
Base-Base interactions energy: -75.120
where: short stacking energy: -49.999
Base-Backbone interact. energy: 1.190
local terms energy: -96.396568
where:
bonds (distance) C4'-P energy: -17.259
bonds (distance) P-C4' energy: -32.889
flat angles C4'-P-C4' energy: -30.125
flat angles P-C4'-P energy: -16.326
tors. eta vs tors. theta energy: 0.202
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: 10, replica: 8
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -214.190357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.190357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.190357 (E_RNA)
where:
Base-Base interactions energy: -110.133
where: short stacking energy: -65.337
Base-Backbone interact. energy: 0.207
local terms energy: -104.264749
where:
bonds (distance) C4'-P energy: -34.912
bonds (distance) P-C4' energy: -29.672
flat angles C4'-P-C4' energy: -21.270
flat angles P-C4'-P energy: -17.451
tors. eta vs tors. theta energy: -0.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -549.786228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.786228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.786228 (E_RNA)
where:
Base-Base interactions energy: -366.241
where: short stacking energy: -171.802
Base-Backbone interact. energy: -0.989
local terms energy: -182.556222
where:
bonds (distance) C4'-P energy: -29.093
bonds (distance) P-C4' energy: -35.577
flat angles C4'-P-C4' energy: -33.569
flat angles P-C4'-P energy: -28.737
tors. eta vs tors. theta energy: -55.581
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: 6
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -544.785537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.785537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.785537 (E_RNA)
where:
Base-Base interactions energy: -371.076
where: short stacking energy: -175.222
Base-Backbone interact. energy: -0.627
local terms energy: -173.082154
where:
bonds (distance) C4'-P energy: -29.552
bonds (distance) P-C4' energy: -31.796
flat angles C4'-P-C4' energy: -37.387
flat angles P-C4'-P energy: -26.259
tors. eta vs tors. theta energy: -48.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -503.842127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.842127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.842127 (E_RNA)
where:
Base-Base interactions energy: -341.757
where: short stacking energy: -148.945
Base-Backbone interact. energy: -0.294
local terms energy: -161.791048
where:
bonds (distance) C4'-P energy: -27.688
bonds (distance) P-C4' energy: -29.787
flat angles C4'-P-C4' energy: -39.568
flat angles P-C4'-P energy: -25.808
tors. eta vs tors. theta energy: -38.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -461.303316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.303316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.303316 (E_RNA)
where:
Base-Base interactions energy: -297.799
where: short stacking energy: -143.272
Base-Backbone interact. energy: -0.715
local terms energy: -162.788611
where:
bonds (distance) C4'-P energy: -32.849
bonds (distance) P-C4' energy: -32.053
flat angles C4'-P-C4' energy: -35.513
flat angles P-C4'-P energy: -20.476
tors. eta vs tors. theta energy: -41.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -429.617035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.617035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.617035 (E_RNA)
where:
Base-Base interactions energy: -269.000
where: short stacking energy: -129.954
Base-Backbone interact. energy: -0.534
local terms energy: -160.083223
where:
bonds (distance) C4'-P energy: -30.305
bonds (distance) P-C4' energy: -30.131
flat angles C4'-P-C4' energy: -35.340
flat angles P-C4'-P energy: -27.907
tors. eta vs tors. theta energy: -36.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -349.289953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.289953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.289953 (E_RNA)
where:
Base-Base interactions energy: -210.202
where: short stacking energy: -129.080
Base-Backbone interact. energy: -0.148
local terms energy: -138.940314
where:
bonds (distance) C4'-P energy: -25.901
bonds (distance) P-C4' energy: -39.341
flat angles C4'-P-C4' energy: -27.073
flat angles P-C4'-P energy: -16.624
tors. eta vs tors. theta energy: -30.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -332.195492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.195492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.195492 (E_RNA)
where:
Base-Base interactions energy: -190.533
where: short stacking energy: -103.246
Base-Backbone interact. energy: -1.097
local terms energy: -140.566066
where:
bonds (distance) C4'-P energy: -27.568
bonds (distance) P-C4' energy: -27.632
flat angles C4'-P-C4' energy: -36.350
flat angles P-C4'-P energy: -17.433
tors. eta vs tors. theta energy: -31.582
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: 9
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -238.972009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.972009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.972009 (E_RNA)
where:
Base-Base interactions energy: -138.358
where: short stacking energy: -82.027
Base-Backbone interact. energy: -0.777
local terms energy: -99.836875
where:
bonds (distance) C4'-P energy: -28.108
bonds (distance) P-C4' energy: -28.541
flat angles C4'-P-C4' energy: -24.732
flat angles P-C4'-P energy: -13.138
tors. eta vs tors. theta energy: -5.318
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: 9, replica: 4
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -152.370153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.370153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.370153 (E_RNA)
where:
Base-Base interactions energy: -54.312
where: short stacking energy: -42.271
Base-Backbone interact. energy: -0.886
local terms energy: -97.172311
where:
bonds (distance) C4'-P energy: -26.885
bonds (distance) P-C4' energy: -29.338
flat angles C4'-P-C4' energy: -26.648
flat angles P-C4'-P energy: -19.681
tors. eta vs tors. theta energy: 5.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -202.568887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.568887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.568887 (E_RNA)
where:
Base-Base interactions energy: -103.852
where: short stacking energy: -60.650
Base-Backbone interact. energy: -0.440
local terms energy: -98.276846
where:
bonds (distance) C4'-P energy: -32.848
bonds (distance) P-C4' energy: -24.103
flat angles C4'-P-C4' energy: -25.083
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -4.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -546.052753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.052753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.052753 (E_RNA)
where:
Base-Base interactions energy: -372.450
where: short stacking energy: -178.023
Base-Backbone interact. energy: -1.239
local terms energy: -172.363635
where:
bonds (distance) C4'-P energy: -32.893
bonds (distance) P-C4' energy: -34.386
flat angles C4'-P-C4' energy: -30.737
flat angles P-C4'-P energy: -26.649
tors. eta vs tors. theta energy: -47.699
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: 2, replica: 2
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -522.859464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.859464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.859464 (E_RNA)
where:
Base-Base interactions energy: -351.297
where: short stacking energy: -160.137
Base-Backbone interact. energy: -0.001
local terms energy: -171.561646
where:
bonds (distance) C4'-P energy: -31.178
bonds (distance) P-C4' energy: -33.663
flat angles C4'-P-C4' energy: -39.085
flat angles P-C4'-P energy: -21.596
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: 3, replica: 10
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -488.685106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.685106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.685106 (E_RNA)
where:
Base-Base interactions energy: -323.977
where: short stacking energy: -144.242
Base-Backbone interact. energy: 0.340
local terms energy: -165.047988
where:
bonds (distance) C4'-P energy: -31.293
bonds (distance) P-C4' energy: -33.337
flat angles C4'-P-C4' energy: -34.675
flat angles P-C4'-P energy: -29.220
tors. eta vs tors. theta energy: -36.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -446.717810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.717810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.717810 (E_RNA)
where:
Base-Base interactions energy: -298.911
where: short stacking energy: -147.159
Base-Backbone interact. energy: -1.228
local terms energy: -146.578616
where:
bonds (distance) C4'-P energy: -26.176
bonds (distance) P-C4' energy: -27.882
flat angles C4'-P-C4' energy: -29.760
flat angles P-C4'-P energy: -26.102
tors. eta vs tors. theta energy: -36.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -373.894106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.894106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.894106 (E_RNA)
where:
Base-Base interactions energy: -238.584
where: short stacking energy: -118.914
Base-Backbone interact. energy: 0.623
local terms energy: -135.933101
where:
bonds (distance) C4'-P energy: -31.752
bonds (distance) P-C4' energy: -27.322
flat angles C4'-P-C4' energy: -30.764
flat angles P-C4'-P energy: -21.921
tors. eta vs tors. theta energy: -24.174
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: 1
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -427.223428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.223428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.223428 (E_RNA)
where:
Base-Base interactions energy: -289.132
where: short stacking energy: -123.373
Base-Backbone interact. energy: -2.762
local terms energy: -135.329147
where:
bonds (distance) C4'-P energy: -25.668
bonds (distance) P-C4' energy: -30.601
flat angles C4'-P-C4' energy: -29.613
flat angles P-C4'-P energy: -18.223
tors. eta vs tors. theta energy: -31.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -270.219177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.219177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.219177 (E_RNA)
where:
Base-Base interactions energy: -153.409
where: short stacking energy: -81.733
Base-Backbone interact. energy: -0.241
local terms energy: -116.569431
where:
bonds (distance) C4'-P energy: -31.272
bonds (distance) P-C4' energy: -25.589
flat angles C4'-P-C4' energy: -32.676
flat angles P-C4'-P energy: -10.979
tors. eta vs tors. theta energy: -16.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -319.482157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.482157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.482157 (E_RNA)
where:
Base-Base interactions energy: -193.683
where: short stacking energy: -99.258
Base-Backbone interact. energy: -0.649
local terms energy: -125.150394
where:
bonds (distance) C4'-P energy: -28.017
bonds (distance) P-C4' energy: -27.695
flat angles C4'-P-C4' energy: -31.794
flat angles P-C4'-P energy: -15.562
tors. eta vs tors. theta energy: -22.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -230.804366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.804366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.804366 (E_RNA)
where:
Base-Base interactions energy: -119.882
where: short stacking energy: -74.343
Base-Backbone interact. energy: 0.266
local terms energy: -111.188379
where:
bonds (distance) C4'-P energy: -28.551
bonds (distance) P-C4' energy: -26.307
flat angles C4'-P-C4' energy: -18.657
flat angles P-C4'-P energy: -19.040
tors. eta vs tors. theta energy: -18.632
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: 10, replica: 4
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -163.769945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.769945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.769945 (E_RNA)
where:
Base-Base interactions energy: -56.950
where: short stacking energy: -52.659
Base-Backbone interact. energy: 0.244
local terms energy: -107.063110
where:
bonds (distance) C4'-P energy: -29.281
bonds (distance) P-C4' energy: -29.353
flat angles C4'-P-C4' energy: -22.749
flat angles P-C4'-P energy: -15.951
tors. eta vs tors. theta energy: -9.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -531.850010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.850010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.850010 (E_RNA)
where:
Base-Base interactions energy: -357.822
where: short stacking energy: -172.796
Base-Backbone interact. energy: -0.010
local terms energy: -174.017778
where:
bonds (distance) C4'-P energy: -32.399
bonds (distance) P-C4' energy: -32.868
flat angles C4'-P-C4' energy: -32.661
flat angles P-C4'-P energy: -27.413
tors. eta vs tors. theta energy: -48.677
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: 2
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -527.191571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.191571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.191571 (E_RNA)
where:
Base-Base interactions energy: -354.923
where: short stacking energy: -163.088
Base-Backbone interact. energy: -0.237
local terms energy: -172.031368
where:
bonds (distance) C4'-P energy: -27.316
bonds (distance) P-C4' energy: -37.603
flat angles C4'-P-C4' energy: -34.263
flat angles P-C4'-P energy: -24.582
tors. eta vs tors. theta energy: -48.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -496.228443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.228443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.228443 (E_RNA)
where:
Base-Base interactions energy: -343.206
where: short stacking energy: -147.958
Base-Backbone interact. energy: -0.600
local terms energy: -152.421631
where:
bonds (distance) C4'-P energy: -25.578
bonds (distance) P-C4' energy: -33.565
flat angles C4'-P-C4' energy: -35.453
flat angles P-C4'-P energy: -19.486
tors. eta vs tors. theta energy: -38.339
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: 5
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -474.002031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.002031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.002031 (E_RNA)
where:
Base-Base interactions energy: -326.631
where: short stacking energy: -143.125
Base-Backbone interact. energy: -0.911
local terms energy: -146.459461
where:
bonds (distance) C4'-P energy: -30.647
bonds (distance) P-C4' energy: -29.020
flat angles C4'-P-C4' energy: -27.775
flat angles P-C4'-P energy: -22.789
tors. eta vs tors. theta energy: -36.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -367.518525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.518525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.518525 (E_RNA)
where:
Base-Base interactions energy: -229.415
where: short stacking energy: -125.675
Base-Backbone interact. energy: 1.359
local terms energy: -139.461978
where:
bonds (distance) C4'-P energy: -30.427
bonds (distance) P-C4' energy: -27.128
flat angles C4'-P-C4' energy: -34.138
flat angles P-C4'-P energy: -19.807
tors. eta vs tors. theta energy: -27.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -411.740515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.740515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.740515 (E_RNA)
where:
Base-Base interactions energy: -270.678
where: short stacking energy: -120.627
Base-Backbone interact. energy: -2.445
local terms energy: -138.616802
where:
bonds (distance) C4'-P energy: -28.917
bonds (distance) P-C4' energy: -32.271
flat angles C4'-P-C4' energy: -28.881
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -36.145
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: 9
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -248.109422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.109422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.109422 (E_RNA)
where:
Base-Base interactions energy: -135.007
where: short stacking energy: -82.339
Base-Backbone interact. energy: -0.516
local terms energy: -112.586425
where:
bonds (distance) C4'-P energy: -30.077
bonds (distance) P-C4' energy: -26.384
flat angles C4'-P-C4' energy: -18.662
flat angles P-C4'-P energy: -20.786
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: 8, replica: 3
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -311.174278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.174278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.174278 (E_RNA)
where:
Base-Base interactions energy: -176.348
where: short stacking energy: -99.903
Base-Backbone interact. energy: -1.613
local terms energy: -133.212932
where:
bonds (distance) C4'-P energy: -31.555
bonds (distance) P-C4' energy: -26.153
flat angles C4'-P-C4' energy: -28.017
flat angles P-C4'-P energy: -17.879
tors. eta vs tors. theta energy: -29.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -224.215462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.215462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.215462 (E_RNA)
where:
Base-Base interactions energy: -117.450
where: short stacking energy: -60.372
Base-Backbone interact. energy: -0.795
local terms energy: -105.969803
where:
bonds (distance) C4'-P energy: -20.686
bonds (distance) P-C4' energy: -34.243
flat angles C4'-P-C4' energy: -30.226
flat angles P-C4'-P energy: -14.422
tors. eta vs tors. theta energy: -6.394
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: 4
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -144.821220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.821220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.821220 (E_RNA)
where:
Base-Base interactions energy: -46.311
where: short stacking energy: -41.813
Base-Backbone interact. energy: 0.860
local terms energy: -99.370051
where:
bonds (distance) C4'-P energy: -25.709
bonds (distance) P-C4' energy: -28.617
flat angles C4'-P-C4' energy: -26.993
flat angles P-C4'-P energy: -18.917
tors. eta vs tors. theta energy: 0.865
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: 1, replica: 6
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -528.512685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.512685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.512685 (E_RNA)
where:
Base-Base interactions energy: -349.348
where: short stacking energy: -174.625
Base-Backbone interact. energy: -0.069
local terms energy: -179.095680
where:
bonds (distance) C4'-P energy: -31.079
bonds (distance) P-C4' energy: -32.766
flat angles C4'-P-C4' energy: -40.327
flat angles P-C4'-P energy: -23.410
tors. eta vs tors. theta energy: -51.514
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: 2, replica: 2
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -518.915303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.915303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.915303 (E_RNA)
where:
Base-Base interactions energy: -360.632
where: short stacking energy: -170.305
Base-Backbone interact. energy: -0.197
local terms energy: -158.086272
where:
bonds (distance) C4'-P energy: -27.307
bonds (distance) P-C4' energy: -24.170
flat angles C4'-P-C4' energy: -35.131
flat angles P-C4'-P energy: -21.926
tors. eta vs tors. theta energy: -49.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -475.857095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.857095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.857095 (E_RNA)
where:
Base-Base interactions energy: -318.339
where: short stacking energy: -138.601
Base-Backbone interact. energy: -0.431
local terms energy: -157.087382
where:
bonds (distance) C4'-P energy: -35.355
bonds (distance) P-C4' energy: -34.973
flat angles C4'-P-C4' energy: -33.598
flat angles P-C4'-P energy: -17.737
tors. eta vs tors. theta energy: -35.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -468.501960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.501960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.501960 (E_RNA)
where:
Base-Base interactions energy: -322.354
where: short stacking energy: -133.956
Base-Backbone interact. energy: 0.631
local terms energy: -146.779311
where:
bonds (distance) C4'-P energy: -24.384
bonds (distance) P-C4' energy: -27.936
flat angles C4'-P-C4' energy: -30.571
flat angles P-C4'-P energy: -27.244
tors. eta vs tors. theta energy: -36.645
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: 1
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -417.839957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.839957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.839957 (E_RNA)
where:
Base-Base interactions energy: -274.796
where: short stacking energy: -132.199
Base-Backbone interact. energy: -0.231
local terms energy: -142.812328
where:
bonds (distance) C4'-P energy: -25.837
bonds (distance) P-C4' energy: -33.853
flat angles C4'-P-C4' energy: -28.478
flat angles P-C4'-P energy: -21.983
tors. eta vs tors. theta energy: -32.661
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: 7
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -351.482250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.482250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.482250 (E_RNA)
where:
Base-Base interactions energy: -222.460
where: short stacking energy: -109.045
Base-Backbone interact. energy: -0.143
local terms energy: -128.878992
where:
bonds (distance) C4'-P energy: -27.625
bonds (distance) P-C4' energy: -27.812
flat angles C4'-P-C4' energy: -29.948
flat angles P-C4'-P energy: -21.820
tors. eta vs tors. theta energy: -21.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -333.596384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.596384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.596384 (E_RNA)
where:
Base-Base interactions energy: -207.805
where: short stacking energy: -107.376
Base-Backbone interact. energy: 1.418
local terms energy: -127.209599
where:
bonds (distance) C4'-P energy: -27.216
bonds (distance) P-C4' energy: -28.521
flat angles C4'-P-C4' energy: -29.935
flat angles P-C4'-P energy: -17.516
tors. eta vs tors. theta energy: -24.022
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: 9
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -225.774092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.774092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.774092 (E_RNA)
where:
Base-Base interactions energy: -118.466
where: short stacking energy: -72.379
Base-Backbone interact. energy: 0.712
local terms energy: -108.019855
where:
bonds (distance) C4'-P energy: -23.638
bonds (distance) P-C4' energy: -24.056
flat angles C4'-P-C4' energy: -25.700
flat angles P-C4'-P energy: -17.859
tors. eta vs tors. theta energy: -16.767
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: 8
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -241.619976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.619976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.619976 (E_RNA)
where:
Base-Base interactions energy: -133.615
where: short stacking energy: -59.976
Base-Backbone interact. energy: -0.824
local terms energy: -107.181697
where:
bonds (distance) C4'-P energy: -21.938
bonds (distance) P-C4' energy: -32.643
flat angles C4'-P-C4' energy: -31.124
flat angles P-C4'-P energy: -16.877
tors. eta vs tors. theta energy: -4.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -145.739551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.739551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.739551 (E_RNA)
where:
Base-Base interactions energy: -53.865
where: short stacking energy: -48.246
Base-Backbone interact. energy: 0.655
local terms energy: -92.530076
where:
bonds (distance) C4'-P energy: -24.224
bonds (distance) P-C4' energy: -29.714
flat angles C4'-P-C4' energy: -25.139
flat angles P-C4'-P energy: -17.577
tors. eta vs tors. theta energy: 4.124
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: 6
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -530.918526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.918526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.918526 (E_RNA)
where:
Base-Base interactions energy: -355.701
where: short stacking energy: -176.990
Base-Backbone interact. energy: -1.284
local terms energy: -173.933680
where:
bonds (distance) C4'-P energy: -30.385
bonds (distance) P-C4' energy: -27.139
flat angles C4'-P-C4' energy: -37.385
flat angles P-C4'-P energy: -28.381
tors. eta vs tors. theta energy: -50.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -516.931360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.931360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.931360 (E_RNA)
where:
Base-Base interactions energy: -345.009
where: short stacking energy: -153.903
Base-Backbone interact. energy: -0.982
local terms energy: -170.940318
where:
bonds (distance) C4'-P energy: -32.501
bonds (distance) P-C4' energy: -31.634
flat angles C4'-P-C4' energy: -34.743
flat angles P-C4'-P energy: -26.266
tors. eta vs tors. theta energy: -45.796
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: 193
Temperature: 1.000000
Total energy: -480.524626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.524626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.524626 (E_RNA)
where:
Base-Base interactions energy: -320.047
where: short stacking energy: -128.921
Base-Backbone interact. energy: -1.278
local terms energy: -159.199461
where:
bonds (distance) C4'-P energy: -28.422
bonds (distance) P-C4' energy: -36.268
flat angles C4'-P-C4' energy: -33.352
flat angles P-C4'-P energy: -23.332
tors. eta vs tors. theta energy: -37.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -452.933224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.933224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.933224 (E_RNA)
where:
Base-Base interactions energy: -310.791
where: short stacking energy: -147.418
Base-Backbone interact. energy: -1.781
local terms energy: -140.361308
where:
bonds (distance) C4'-P energy: -28.051
bonds (distance) P-C4' energy: -26.986
flat angles C4'-P-C4' energy: -34.819
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -41.639
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: 1
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -434.309166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.309166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.309166 (E_RNA)
where:
Base-Base interactions energy: -276.862
where: short stacking energy: -143.941
Base-Backbone interact. energy: -1.427
local terms energy: -156.020825
where:
bonds (distance) C4'-P energy: -31.817
bonds (distance) P-C4' energy: -31.367
flat angles C4'-P-C4' energy: -31.896
flat angles P-C4'-P energy: -25.146
tors. eta vs tors. theta energy: -35.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -339.717522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.717522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.717522 (E_RNA)
where:
Base-Base interactions energy: -207.131
where: short stacking energy: -92.662
Base-Backbone interact. energy: -0.867
local terms energy: -131.719326
where:
bonds (distance) C4'-P energy: -28.923
bonds (distance) P-C4' energy: -33.634
flat angles C4'-P-C4' energy: -31.325
flat angles P-C4'-P energy: -20.789
tors. eta vs tors. theta energy: -17.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -319.687610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.687610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.687610 (E_RNA)
where:
Base-Base interactions energy: -195.176
where: short stacking energy: -97.682
Base-Backbone interact. energy: -1.676
local terms energy: -122.835250
where:
bonds (distance) C4'-P energy: -24.659
bonds (distance) P-C4' energy: -27.065
flat angles C4'-P-C4' energy: -31.076
flat angles P-C4'-P energy: -20.685
tors. eta vs tors. theta energy: -19.351
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: 8, replica: 8
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -210.964511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.964511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.964511 (E_RNA)
where:
Base-Base interactions energy: -111.216
where: short stacking energy: -51.742
Base-Backbone interact. energy: -0.557
local terms energy: -99.191532
where:
bonds (distance) C4'-P energy: -29.170
bonds (distance) P-C4' energy: -31.187
flat angles C4'-P-C4' energy: -18.772
flat angles P-C4'-P energy: -16.524
tors. eta vs tors. theta energy: -3.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -230.372652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.372652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.372652 (E_RNA)
where:
Base-Base interactions energy: -128.066
where: short stacking energy: -83.276
Base-Backbone interact. energy: 0.051
local terms energy: -102.357914
where:
bonds (distance) C4'-P energy: -29.673
bonds (distance) P-C4' energy: -29.332
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -15.969
tors. eta vs tors. theta energy: -10.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -146.953986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.953986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.953986 (E_RNA)
where:
Base-Base interactions energy: -52.556
where: short stacking energy: -50.174
Base-Backbone interact. energy: -1.198
local terms energy: -93.199677
where:
bonds (distance) C4'-P energy: -32.223
bonds (distance) P-C4' energy: -33.450
flat angles C4'-P-C4' energy: -18.263
flat angles P-C4'-P energy: -6.851
tors. eta vs tors. theta energy: -2.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -531.931522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.931522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.931522 (E_RNA)
where:
Base-Base interactions energy: -368.529
where: short stacking energy: -171.776
Base-Backbone interact. energy: -1.052
local terms energy: -162.349931
where:
bonds (distance) C4'-P energy: -29.447
bonds (distance) P-C4' energy: -31.440
flat angles C4'-P-C4' energy: -30.554
flat angles P-C4'-P energy: -26.556
tors. eta vs tors. theta energy: -44.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -512.234998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.234998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.234998 (E_RNA)
where:
Base-Base interactions energy: -349.718
where: short stacking energy: -161.068
Base-Backbone interact. energy: -0.068
local terms energy: -162.448253
where:
bonds (distance) C4'-P energy: -29.757
bonds (distance) P-C4' energy: -29.591
flat angles C4'-P-C4' energy: -36.888
flat angles P-C4'-P energy: -24.149
tors. eta vs tors. theta energy: -42.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -476.957843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.957843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.957843 (E_RNA)
where:
Base-Base interactions energy: -326.754
where: short stacking energy: -139.066
Base-Backbone interact. energy: -0.850
local terms energy: -149.354413
where:
bonds (distance) C4'-P energy: -21.208
bonds (distance) P-C4' energy: -30.899
flat angles C4'-P-C4' energy: -31.452
flat angles P-C4'-P energy: -28.184
tors. eta vs tors. theta energy: -37.611
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: 5
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -442.919279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.919279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.919279 (E_RNA)
where:
Base-Base interactions energy: -294.525
where: short stacking energy: -147.645
Base-Backbone interact. energy: -1.223
local terms energy: -147.171178
where:
bonds (distance) C4'-P energy: -30.468
bonds (distance) P-C4' energy: -21.182
flat angles C4'-P-C4' energy: -34.604
flat angles P-C4'-P energy: -24.854
tors. eta vs tors. theta energy: -36.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -440.386053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.386053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.386053 (E_RNA)
where:
Base-Base interactions energy: -284.730
where: short stacking energy: -145.573
Base-Backbone interact. energy: -2.218
local terms energy: -153.437877
where:
bonds (distance) C4'-P energy: -37.272
bonds (distance) P-C4' energy: -32.564
flat angles C4'-P-C4' energy: -29.099
flat angles P-C4'-P energy: -18.348
tors. eta vs tors. theta energy: -36.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -340.363562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.363562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.363562 (E_RNA)
where:
Base-Base interactions energy: -213.674
where: short stacking energy: -90.046
Base-Backbone interact. energy: -0.148
local terms energy: -126.542158
where:
bonds (distance) C4'-P energy: -29.204
bonds (distance) P-C4' energy: -31.513
flat angles C4'-P-C4' energy: -33.751
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -18.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -313.989174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.989174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.989174 (E_RNA)
where:
Base-Base interactions energy: -202.232
where: short stacking energy: -98.202
Base-Backbone interact. energy: -0.148
local terms energy: -111.608963
where:
bonds (distance) C4'-P energy: -22.052
bonds (distance) P-C4' energy: -25.771
flat angles C4'-P-C4' energy: -31.698
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -21.755
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: 8
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -226.409135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.409135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.409135 (E_RNA)
where:
Base-Base interactions energy: -119.301
where: short stacking energy: -79.046
Base-Backbone interact. energy: 2.987
local terms energy: -110.095113
where:
bonds (distance) C4'-P energy: -26.912
bonds (distance) P-C4' energy: -34.178
flat angles C4'-P-C4' energy: -23.225
flat angles P-C4'-P energy: -17.261
tors. eta vs tors. theta energy: -8.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -227.873352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.873352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.873352 (E_RNA)
where:
Base-Base interactions energy: -122.407
where: short stacking energy: -72.854
Base-Backbone interact. energy: -0.426
local terms energy: -105.040794
where:
bonds (distance) C4'-P energy: -26.386
bonds (distance) P-C4' energy: -32.905
flat angles C4'-P-C4' energy: -29.782
flat angles P-C4'-P energy: -14.407
tors. eta vs tors. theta energy: -1.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -155.958745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.958745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.958745 (E_RNA)
where:
Base-Base interactions energy: -61.577
where: short stacking energy: -61.577
Base-Backbone interact. energy: 0.662
local terms energy: -95.043072
where:
bonds (distance) C4'-P energy: -20.386
bonds (distance) P-C4' energy: -26.053
flat angles C4'-P-C4' energy: -22.738
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -14.587
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: 2
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -529.465999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.465999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.465999 (E_RNA)
where:
Base-Base interactions energy: -357.909
where: short stacking energy: -165.097
Base-Backbone interact. energy: -0.551
local terms energy: -171.005599
where:
bonds (distance) C4'-P energy: -29.123
bonds (distance) P-C4' energy: -28.388
flat angles C4'-P-C4' energy: -34.981
flat angles P-C4'-P energy: -29.599
tors. eta vs tors. theta energy: -48.915
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: 6
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -529.805118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.805118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.805118 (E_RNA)
where:
Base-Base interactions energy: -364.225
where: short stacking energy: -159.093
Base-Backbone interact. energy: 2.550
local terms energy: -168.129919
where:
bonds (distance) C4'-P energy: -36.415
bonds (distance) P-C4' energy: -32.626
flat angles C4'-P-C4' energy: -32.760
flat angles P-C4'-P energy: -22.801
tors. eta vs tors. theta energy: -43.529
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: 10
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -485.468953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.468953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.468953 (E_RNA)
where:
Base-Base interactions energy: -324.616
where: short stacking energy: -145.145
Base-Backbone interact. energy: -1.393
local terms energy: -159.459633
where:
bonds (distance) C4'-P energy: -32.152
bonds (distance) P-C4' energy: -32.321
flat angles C4'-P-C4' energy: -34.045
flat angles P-C4'-P energy: -20.985
tors. eta vs tors. theta energy: -39.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -447.091287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.091287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.091287 (E_RNA)
where:
Base-Base interactions energy: -304.064
where: short stacking energy: -133.335
Base-Backbone interact. energy: -0.088
local terms energy: -142.939495
where:
bonds (distance) C4'-P energy: -30.954
bonds (distance) P-C4' energy: -21.524
flat angles C4'-P-C4' energy: -31.905
flat angles P-C4'-P energy: -21.629
tors. eta vs tors. theta energy: -36.926
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: 1
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -422.127497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.127497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.127497 (E_RNA)
where:
Base-Base interactions energy: -285.936
where: short stacking energy: -121.005
Base-Backbone interact. energy: -0.074
local terms energy: -136.117219
where:
bonds (distance) C4'-P energy: -31.916
bonds (distance) P-C4' energy: -25.116
flat angles C4'-P-C4' energy: -32.725
flat angles P-C4'-P energy: -15.467
tors. eta vs tors. theta energy: -30.893
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: 195
Temperature: 1.150000
Total energy: -326.864081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.864081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.864081 (E_RNA)
where:
Base-Base interactions energy: -198.309
where: short stacking energy: -89.778
Base-Backbone interact. energy: -0.948
local terms energy: -127.607147
where:
bonds (distance) C4'-P energy: -23.657
bonds (distance) P-C4' energy: -24.350
flat angles C4'-P-C4' energy: -31.647
flat angles P-C4'-P energy: -27.193
tors. eta vs tors. theta energy: -20.759
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: 7, replica: 7
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -336.468223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.468223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.468223 (E_RNA)
where:
Base-Base interactions energy: -201.577
where: short stacking energy: -91.883
Base-Backbone interact. energy: 1.397
local terms energy: -136.288314
where:
bonds (distance) C4'-P energy: -32.702
bonds (distance) P-C4' energy: -26.453
flat angles C4'-P-C4' energy: -34.739
flat angles P-C4'-P energy: -21.521
tors. eta vs tors. theta energy: -20.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -263.360661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.360661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.360661 (E_RNA)
where:
Base-Base interactions energy: -141.820
where: short stacking energy: -77.290
Base-Backbone interact. energy: 0.184
local terms energy: -121.724986
where:
bonds (distance) C4'-P energy: -33.435
bonds (distance) P-C4' energy: -30.946
flat angles C4'-P-C4' energy: -21.315
flat angles P-C4'-P energy: -15.832
tors. eta vs tors. theta energy: -20.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -204.374116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.374116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.374116 (E_RNA)
where:
Base-Base interactions energy: -112.586
where: short stacking energy: -61.012
Base-Backbone interact. energy: 0.850
local terms energy: -92.637822
where:
bonds (distance) C4'-P energy: -21.462
bonds (distance) P-C4' energy: -26.613
flat angles C4'-P-C4' energy: -27.707
flat angles P-C4'-P energy: -17.300
tors. eta vs tors. theta energy: 0.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -151.408949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.408949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.408949 (E_RNA)
where:
Base-Base interactions energy: -61.890
where: short stacking energy: -43.096
Base-Backbone interact. energy: -0.332
local terms energy: -89.186814
where:
bonds (distance) C4'-P energy: -25.591
bonds (distance) P-C4' energy: -27.680
flat angles C4'-P-C4' energy: -23.910
flat angles P-C4'-P energy: -19.341
tors. eta vs tors. theta energy: 7.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -545.052648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.052648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.052648 (E_RNA)
where:
Base-Base interactions energy: -379.184
where: short stacking energy: -177.029
Base-Backbone interact. energy: -0.131
local terms energy: -165.737920
where:
bonds (distance) C4'-P energy: -25.982
bonds (distance) P-C4' energy: -34.996
flat angles C4'-P-C4' energy: -30.550
flat angles P-C4'-P energy: -24.912
tors. eta vs tors. theta energy: -49.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -523.707201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.707201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.707201 (E_RNA)
where:
Base-Base interactions energy: -352.205
where: short stacking energy: -160.962
Base-Backbone interact. energy: -1.255
local terms energy: -170.246734
where:
bonds (distance) C4'-P energy: -27.924
bonds (distance) P-C4' energy: -30.562
flat angles C4'-P-C4' energy: -35.699
flat angles P-C4'-P energy: -30.388
tors. eta vs tors. theta energy: -45.674
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: 10
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -480.816913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.816913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.816913 (E_RNA)
where:
Base-Base interactions energy: -322.770
where: short stacking energy: -146.463
Base-Backbone interact. energy: -0.328
local terms energy: -157.719365
where:
bonds (distance) C4'-P energy: -30.401
bonds (distance) P-C4' energy: -32.634
flat angles C4'-P-C4' energy: -30.167
flat angles P-C4'-P energy: -23.508
tors. eta vs tors. theta energy: -41.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -450.710553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.710553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.710553 (E_RNA)
where:
Base-Base interactions energy: -292.516
where: short stacking energy: -152.476
Base-Backbone interact. energy: -0.579
local terms energy: -157.615075
where:
bonds (distance) C4'-P energy: -28.958
bonds (distance) P-C4' energy: -30.083
flat angles C4'-P-C4' energy: -30.285
flat angles P-C4'-P energy: -19.890
tors. eta vs tors. theta energy: -48.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -449.543450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.543450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.543450 (E_RNA)
where:
Base-Base interactions energy: -293.686
where: short stacking energy: -152.243
Base-Backbone interact. energy: -1.317
local terms energy: -154.540758
where:
bonds (distance) C4'-P energy: -31.534
bonds (distance) P-C4' energy: -27.639
flat angles C4'-P-C4' energy: -33.802
flat angles P-C4'-P energy: -22.427
tors. eta vs tors. theta energy: -39.140
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: 3
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -340.533349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.533349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.533349 (E_RNA)
where:
Base-Base interactions energy: -196.851
where: short stacking energy: -98.314
Base-Backbone interact. energy: -0.050
local terms energy: -143.631809
where:
bonds (distance) C4'-P energy: -36.135
bonds (distance) P-C4' energy: -28.261
flat angles C4'-P-C4' energy: -34.104
flat angles P-C4'-P energy: -19.584
tors. eta vs tors. theta energy: -25.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -340.958091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.958091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.958091 (E_RNA)
where:
Base-Base interactions energy: -205.833
where: short stacking energy: -110.772
Base-Backbone interact. energy: 0.396
local terms energy: -135.520423
where:
bonds (distance) C4'-P energy: -25.884
bonds (distance) P-C4' energy: -34.026
flat angles C4'-P-C4' energy: -32.948
flat angles P-C4'-P energy: -16.878
tors. eta vs tors. theta energy: -25.785
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: 9
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -246.862448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.862448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.862448 (E_RNA)
where:
Base-Base interactions energy: -134.412
where: short stacking energy: -59.396
Base-Backbone interact. energy: -0.525
local terms energy: -111.925059
where:
bonds (distance) C4'-P energy: -36.933
bonds (distance) P-C4' energy: -28.913
flat angles C4'-P-C4' energy: -20.846
flat angles P-C4'-P energy: -15.211
tors. eta vs tors. theta energy: -10.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -231.421965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.421965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.421965 (E_RNA)
where:
Base-Base interactions energy: -112.611
where: short stacking energy: -62.184
Base-Backbone interact. energy: 0.085
local terms energy: -118.895917
where:
bonds (distance) C4'-P energy: -31.869
bonds (distance) P-C4' energy: -27.448
flat angles C4'-P-C4' energy: -28.614
flat angles P-C4'-P energy: -20.938
tors. eta vs tors. theta energy: -10.027
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: 4
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -147.619723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.619723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.619723 (E_RNA)
where:
Base-Base interactions energy: -44.684
where: short stacking energy: -38.361
Base-Backbone interact. energy: -0.426
local terms energy: -102.510521
where:
bonds (distance) C4'-P energy: -31.877
bonds (distance) P-C4' energy: -27.429
flat angles C4'-P-C4' energy: -23.127
flat angles P-C4'-P energy: -20.649
tors. eta vs tors. theta energy: 0.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -553.735608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.735608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.735608 (E_RNA)
where:
Base-Base interactions energy: -389.449
where: short stacking energy: -182.291
Base-Backbone interact. energy: -0.052
local terms energy: -164.234789
where:
bonds (distance) C4'-P energy: -25.509
bonds (distance) P-C4' energy: -34.544
flat angles C4'-P-C4' energy: -35.610
flat angles P-C4'-P energy: -20.374
tors. eta vs tors. theta energy: -48.197
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: 197
Temperature: 0.950000
Total energy: -508.922737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.922737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.922737 (E_RNA)
where:
Base-Base interactions energy: -338.300
where: short stacking energy: -156.698
Base-Backbone interact. energy: -2.008
local terms energy: -168.614333
where:
bonds (distance) C4'-P energy: -32.668
bonds (distance) P-C4' energy: -32.534
flat angles C4'-P-C4' energy: -35.674
flat angles P-C4'-P energy: -24.903
tors. eta vs tors. theta energy: -42.836
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: 2
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -491.767896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.767896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.767896 (E_RNA)
where:
Base-Base interactions energy: -331.478
where: short stacking energy: -155.440
Base-Backbone interact. energy: -1.805
local terms energy: -158.484959
where:
bonds (distance) C4'-P energy: -33.145
bonds (distance) P-C4' energy: -26.256
flat angles C4'-P-C4' energy: -37.539
flat angles P-C4'-P energy: -23.326
tors. eta vs tors. theta energy: -38.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -480.359385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.359385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.359385 (E_RNA)
where:
Base-Base interactions energy: -334.582
where: short stacking energy: -147.925
Base-Backbone interact. energy: -1.416
local terms energy: -144.360978
where:
bonds (distance) C4'-P energy: -25.386
bonds (distance) P-C4' energy: -30.556
flat angles C4'-P-C4' energy: -31.015
flat angles P-C4'-P energy: -18.685
tors. eta vs tors. theta energy: -38.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -439.700400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.700400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.700400 (E_RNA)
where:
Base-Base interactions energy: -291.081
where: short stacking energy: -147.943
Base-Backbone interact. energy: -0.012
local terms energy: -148.607497
where:
bonds (distance) C4'-P energy: -26.805
bonds (distance) P-C4' energy: -24.733
flat angles C4'-P-C4' energy: -32.167
flat angles P-C4'-P energy: -18.417
tors. eta vs tors. theta energy: -46.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -338.651999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.651999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.651999 (E_RNA)
where:
Base-Base interactions energy: -213.251
where: short stacking energy: -104.639
Base-Backbone interact. energy: -0.932
local terms energy: -124.468658
where:
bonds (distance) C4'-P energy: -27.684
bonds (distance) P-C4' energy: -29.973
flat angles C4'-P-C4' energy: -29.924
flat angles P-C4'-P energy: -16.868
tors. eta vs tors. theta energy: -20.021
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: 7
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -341.584828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.584828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.584828 (E_RNA)
where:
Base-Base interactions energy: -225.431
where: short stacking energy: -92.819
Base-Backbone interact. energy: 0.071
local terms energy: -116.225256
where:
bonds (distance) C4'-P energy: -26.141
bonds (distance) P-C4' energy: -29.539
flat angles C4'-P-C4' energy: -23.949
flat angles P-C4'-P energy: -16.445
tors. eta vs tors. theta energy: -20.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -226.899301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.899301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.899301 (E_RNA)
where:
Base-Base interactions energy: -126.518
where: short stacking energy: -76.522
Base-Backbone interact. energy: -0.169
local terms energy: -100.212644
where:
bonds (distance) C4'-P energy: -21.607
bonds (distance) P-C4' energy: -27.227
flat angles C4'-P-C4' energy: -22.624
flat angles P-C4'-P energy: -19.782
tors. eta vs tors. theta energy: -8.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -224.330320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.330320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.330320 (E_RNA)
where:
Base-Base interactions energy: -131.347
where: short stacking energy: -81.336
Base-Backbone interact. energy: 2.817
local terms energy: -95.800184
where:
bonds (distance) C4'-P energy: -25.597
bonds (distance) P-C4' energy: -22.733
flat angles C4'-P-C4' energy: -22.687
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -13.514
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: 4
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -148.911297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.911297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.911297 (E_RNA)
where:
Base-Base interactions energy: -62.647
where: short stacking energy: -43.338
Base-Backbone interact. energy: -0.766
local terms energy: -85.498070
where:
bonds (distance) C4'-P energy: -30.786
bonds (distance) P-C4' energy: -28.392
flat angles C4'-P-C4' energy: -20.026
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: 2.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -543.496234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.496234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.496234 (E_RNA)
where:
Base-Base interactions energy: -371.875
where: short stacking energy: -166.679
Base-Backbone interact. energy: -0.242
local terms energy: -171.379523
where:
bonds (distance) C4'-P energy: -29.638
bonds (distance) P-C4' energy: -34.563
flat angles C4'-P-C4' energy: -36.885
flat angles P-C4'-P energy: -22.779
tors. eta vs tors. theta energy: -47.515
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: 198
Temperature: 0.950000
Total energy: -522.538732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.538732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.538732 (E_RNA)
where:
Base-Base interactions energy: -350.318
where: short stacking energy: -165.357
Base-Backbone interact. energy: -0.029
local terms energy: -172.191611
where:
bonds (distance) C4'-P energy: -31.501
bonds (distance) P-C4' energy: -30.848
flat angles C4'-P-C4' energy: -35.510
flat angles P-C4'-P energy: -27.568
tors. eta vs tors. theta energy: -46.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -490.193691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.193691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.193691 (E_RNA)
where:
Base-Base interactions energy: -336.857
where: short stacking energy: -136.213
Base-Backbone interact. energy: -2.490
local terms energy: -150.846763
where:
bonds (distance) C4'-P energy: -23.805
bonds (distance) P-C4' energy: -33.736
flat angles C4'-P-C4' energy: -27.057
flat angles P-C4'-P energy: -24.199
tors. eta vs tors. theta energy: -42.050
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: 2
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -479.454433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.454433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.454433 (E_RNA)
where:
Base-Base interactions energy: -319.308
where: short stacking energy: -137.488
Base-Backbone interact. energy: -0.899
local terms energy: -159.248034
where:
bonds (distance) C4'-P energy: -30.551
bonds (distance) P-C4' energy: -33.748
flat angles C4'-P-C4' energy: -33.214
flat angles P-C4'-P energy: -19.914
tors. eta vs tors. theta energy: -41.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -414.322344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.322344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.322344 (E_RNA)
where:
Base-Base interactions energy: -255.611
where: short stacking energy: -122.614
Base-Backbone interact. energy: -0.800
local terms energy: -157.912210
where:
bonds (distance) C4'-P energy: -29.913
bonds (distance) P-C4' energy: -38.577
flat angles C4'-P-C4' energy: -29.180
flat angles P-C4'-P energy: -21.337
tors. eta vs tors. theta energy: -38.906
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: 3
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -338.310797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.310797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.310797 (E_RNA)
where:
Base-Base interactions energy: -208.194
where: short stacking energy: -102.857
Base-Backbone interact. energy: -0.307
local terms energy: -129.809339
where:
bonds (distance) C4'-P energy: -27.184
bonds (distance) P-C4' energy: -25.534
flat angles C4'-P-C4' energy: -34.519
flat angles P-C4'-P energy: -16.813
tors. eta vs tors. theta energy: -25.760
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: 7
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -345.686014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.686014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.686014 (E_RNA)
where:
Base-Base interactions energy: -210.968
where: short stacking energy: -107.715
Base-Backbone interact. energy: -1.084
local terms energy: -133.634847
where:
bonds (distance) C4'-P energy: -26.349
bonds (distance) P-C4' energy: -31.130
flat angles C4'-P-C4' energy: -25.304
flat angles P-C4'-P energy: -17.236
tors. eta vs tors. theta energy: -33.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -221.323395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.323395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.323395 (E_RNA)
where:
Base-Base interactions energy: -121.021
where: short stacking energy: -70.173
Base-Backbone interact. energy: -0.221
local terms energy: -100.080562
where:
bonds (distance) C4'-P energy: -17.789
bonds (distance) P-C4' energy: -35.769
flat angles C4'-P-C4' energy: -20.475
flat angles P-C4'-P energy: -14.023
tors. eta vs tors. theta energy: -12.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -240.556843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.556843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.556843 (E_RNA)
where:
Base-Base interactions energy: -122.683
where: short stacking energy: -74.352
Base-Backbone interact. energy: -0.672
local terms energy: -117.201745
where:
bonds (distance) C4'-P energy: -20.807
bonds (distance) P-C4' energy: -32.358
flat angles C4'-P-C4' energy: -30.352
flat angles P-C4'-P energy: -20.348
tors. eta vs tors. theta energy: -13.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -153.557422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.557422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.557422 (E_RNA)
where:
Base-Base interactions energy: -61.486
where: short stacking energy: -54.976
Base-Backbone interact. energy: -0.146
local terms energy: -91.925683
where:
bonds (distance) C4'-P energy: -31.538
bonds (distance) P-C4' energy: -31.588
flat angles C4'-P-C4' energy: -21.149
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: 1.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -539.693837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.693837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.693837 (E_RNA)
where:
Base-Base interactions energy: -360.287
where: short stacking energy: -164.596
Base-Backbone interact. energy: 0.150
local terms energy: -179.557116
where:
bonds (distance) C4'-P energy: -34.495
bonds (distance) P-C4' energy: -33.213
flat angles C4'-P-C4' energy: -33.900
flat angles P-C4'-P energy: -29.178
tors. eta vs tors. theta energy: -48.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -518.168945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.168945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.168945 (E_RNA)
where:
Base-Base interactions energy: -345.474
where: short stacking energy: -150.174
Base-Backbone interact. energy: -0.979
local terms energy: -171.716232
where:
bonds (distance) C4'-P energy: -36.291
bonds (distance) P-C4' energy: -33.777
flat angles C4'-P-C4' energy: -34.928
flat angles P-C4'-P energy: -21.255
tors. eta vs tors. theta energy: -45.465
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: 1
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -485.740649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.740649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.740649 (E_RNA)
where:
Base-Base interactions energy: -330.417
where: short stacking energy: -147.146
Base-Backbone interact. energy: -1.746
local terms energy: -153.577701
where:
bonds (distance) C4'-P energy: -25.388
bonds (distance) P-C4' energy: -26.136
flat angles C4'-P-C4' energy: -33.090
flat angles P-C4'-P energy: -26.653
tors. eta vs tors. theta energy: -42.311
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: 2
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -486.778499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.778499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.778499 (E_RNA)
where:
Base-Base interactions energy: -334.144
where: short stacking energy: -150.092
Base-Backbone interact. energy: -1.470
local terms energy: -151.164082
where:
bonds (distance) C4'-P energy: -29.526
bonds (distance) P-C4' energy: -26.378
flat angles C4'-P-C4' energy: -36.333
flat angles P-C4'-P energy: -19.592
tors. eta vs tors. theta energy: -39.335
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: 5
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -425.862768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.862768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.862768 (E_RNA)
where:
Base-Base interactions energy: -275.961
where: short stacking energy: -135.303
Base-Backbone interact. energy: -1.255
local terms energy: -148.646370
where:
bonds (distance) C4'-P energy: -19.975
bonds (distance) P-C4' energy: -31.787
flat angles C4'-P-C4' energy: -36.492
flat angles P-C4'-P energy: -23.499
tors. eta vs tors. theta energy: -36.893
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: 199
Temperature: 1.150000
Total energy: -358.555054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.555054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.555054 (E_RNA)
where:
Base-Base interactions energy: -218.574
where: short stacking energy: -111.656
Base-Backbone interact. energy: -2.534
local terms energy: -137.446892
where:
bonds (distance) C4'-P energy: -31.177
bonds (distance) P-C4' energy: -31.515
flat angles C4'-P-C4' energy: -27.377
flat angles P-C4'-P energy: -20.358
tors. eta vs tors. theta energy: -27.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -327.538231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.538231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.538231 (E_RNA)
where:
Base-Base interactions energy: -201.606
where: short stacking energy: -99.424
Base-Backbone interact. energy: -1.005
local terms energy: -124.927248
where:
bonds (distance) C4'-P energy: -27.918
bonds (distance) P-C4' energy: -28.585
flat angles C4'-P-C4' energy: -32.902
flat angles P-C4'-P energy: -14.762
tors. eta vs tors. theta energy: -20.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -273.701778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.701778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.701778 (E_RNA)
where:
Base-Base interactions energy: -163.460
where: short stacking energy: -82.889
Base-Backbone interact. energy: -0.328
local terms energy: -109.913197
where:
bonds (distance) C4'-P energy: -22.142
bonds (distance) P-C4' energy: -33.837
flat angles C4'-P-C4' energy: -24.854
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -16.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -184.190255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.190255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.190255 (E_RNA)
where:
Base-Base interactions energy: -94.469
where: short stacking energy: -58.466
Base-Backbone interact. energy: -0.450
local terms energy: -89.271252
where:
bonds (distance) C4'-P energy: -17.487
bonds (distance) P-C4' energy: -34.018
flat angles C4'-P-C4' energy: -21.787
flat angles P-C4'-P energy: -13.678
tors. eta vs tors. theta energy: -2.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -146.805936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.805936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.805936 (E_RNA)
where:
Base-Base interactions energy: -52.987
where: short stacking energy: -42.721
Base-Backbone interact. energy: -0.303
local terms energy: -93.515536
where:
bonds (distance) C4'-P energy: -25.222
bonds (distance) P-C4' energy: -26.835
flat angles C4'-P-C4' energy: -26.012
flat angles P-C4'-P energy: -13.569
tors. eta vs tors. theta energy: -1.877
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: 6
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -547.228738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.228738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.228738 (E_RNA)
where:
Base-Base interactions energy: -369.958
where: short stacking energy: -174.724
Base-Backbone interact. energy: -0.121
local terms energy: -177.150695
where:
bonds (distance) C4'-P energy: -31.721
bonds (distance) P-C4' energy: -32.513
flat angles C4'-P-C4' energy: -36.153
flat angles P-C4'-P energy: -28.478
tors. eta vs tors. theta energy: -48.286
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: 10
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -509.014345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.014345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.014345 (E_RNA)
where:
Base-Base interactions energy: -341.399
where: short stacking energy: -152.391
Base-Backbone interact. energy: 0.045
local terms energy: -167.659479
where:
bonds (distance) C4'-P energy: -34.537
bonds (distance) P-C4' energy: -33.278
flat angles C4'-P-C4' energy: -31.851
flat angles P-C4'-P energy: -28.538
tors. eta vs tors. theta energy: -39.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -511.587795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.587795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.587795 (E_RNA)
where:
Base-Base interactions energy: -350.007
where: short stacking energy: -168.202
Base-Backbone interact. energy: -0.460
local terms energy: -161.120719
where:
bonds (distance) C4'-P energy: -27.694
bonds (distance) P-C4' energy: -37.329
flat angles C4'-P-C4' energy: -34.811
flat angles P-C4'-P energy: -17.298
tors. eta vs tors. theta energy: -43.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -463.286791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.286791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.286791 (E_RNA)
where:
Base-Base interactions energy: -313.073
where: short stacking energy: -143.446
Base-Backbone interact. energy: -2.206
local terms energy: -148.007517
where:
bonds (distance) C4'-P energy: -23.573
bonds (distance) P-C4' energy: -34.461
flat angles C4'-P-C4' energy: -26.248
flat angles P-C4'-P energy: -22.192
tors. eta vs tors. theta energy: -41.534
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: 5
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -433.869576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.869576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.869576 (E_RNA)
where:
Base-Base interactions energy: -272.406
where: short stacking energy: -126.938
Base-Backbone interact. energy: -2.731
local terms energy: -158.732191
where:
bonds (distance) C4'-P energy: -30.079
bonds (distance) P-C4' energy: -35.395
flat angles C4'-P-C4' energy: -26.022
flat angles P-C4'-P energy: -26.227
tors. eta vs tors. theta energy: -41.009
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: 200
Temperature: 1.150000
Total energy: -359.935100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.935100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.935100 (E_RNA)
where:
Base-Base interactions energy: -215.636
where: short stacking energy: -102.797
Base-Backbone interact. energy: -0.737
local terms energy: -143.562939
where:
bonds (distance) C4'-P energy: -22.860
bonds (distance) P-C4' energy: -30.022
flat angles C4'-P-C4' energy: -30.729
flat angles P-C4'-P energy: -25.249
tors. eta vs tors. theta energy: -34.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -284.340609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.340609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.340609 (E_RNA)
where:
Base-Base interactions energy: -168.295
where: short stacking energy: -79.723
Base-Backbone interact. energy: -0.061
local terms energy: -115.984895
where:
bonds (distance) C4'-P energy: -25.363
bonds (distance) P-C4' energy: -34.145
flat angles C4'-P-C4' energy: -27.805
flat angles P-C4'-P energy: -15.411
tors. eta vs tors. theta energy: -13.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -309.062054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.062054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.062054 (E_RNA)
where:
Base-Base interactions energy: -185.496
where: short stacking energy: -91.897
Base-Backbone interact. energy: -0.977
local terms energy: -122.589303
where:
bonds (distance) C4'-P energy: -27.224
bonds (distance) P-C4' energy: -29.065
flat angles C4'-P-C4' energy: -26.275
flat angles P-C4'-P energy: -19.132
tors. eta vs tors. theta energy: -20.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -162.384822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.384822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.384822 (E_RNA)
where:
Base-Base interactions energy: -59.092
where: short stacking energy: -43.695
Base-Backbone interact. energy: -0.648
local terms energy: -102.644667
where:
bonds (distance) C4'-P energy: -27.777
bonds (distance) P-C4' energy: -24.213
flat angles C4'-P-C4' energy: -31.817
flat angles P-C4'-P energy: -15.092
tors. eta vs tors. theta energy: -3.746
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: 10, replica: 9
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -143.407090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.407090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.407090 (E_RNA)
where:
Base-Base interactions energy: -47.657
where: short stacking energy: -44.784
Base-Backbone interact. energy: -0.543
local terms energy: -95.207947
where:
bonds (distance) C4'-P energy: -28.027
bonds (distance) P-C4' energy: -30.699
flat angles C4'-P-C4' energy: -22.825
flat angles P-C4'-P energy: -15.569
tors. eta vs tors. theta energy: 1.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -557.916288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.916288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.916288 (E_RNA)
where:
Base-Base interactions energy: -379.002
where: short stacking energy: -174.554
Base-Backbone interact. energy: -0.309
local terms energy: -178.606029
where:
bonds (distance) C4'-P energy: -36.370
bonds (distance) P-C4' energy: -28.912
flat angles C4'-P-C4' energy: -34.516
flat angles P-C4'-P energy: -28.944
tors. eta vs tors. theta energy: -49.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -523.507269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.507269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.507269 (E_RNA)
where:
Base-Base interactions energy: -356.086
where: short stacking energy: -149.638
Base-Backbone interact. energy: -0.102
local terms energy: -167.319055
where:
bonds (distance) C4'-P energy: -31.552
bonds (distance) P-C4' energy: -29.736
flat angles C4'-P-C4' energy: -34.714
flat angles P-C4'-P energy: -23.932
tors. eta vs tors. theta energy: -47.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -490.440573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.440573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.440573 (E_RNA)
where:
Base-Base interactions energy: -331.560
where: short stacking energy: -148.717
Base-Backbone interact. energy: 0.562
local terms energy: -159.442141
where:
bonds (distance) C4'-P energy: -31.248
bonds (distance) P-C4' energy: -31.755
flat angles C4'-P-C4' energy: -32.553
flat angles P-C4'-P energy: -22.165
tors. eta vs tors. theta energy: -41.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -466.759328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.759328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.759328 (E_RNA)
where:
Base-Base interactions energy: -314.880
where: short stacking energy: -141.253
Base-Backbone interact. energy: -0.074
local terms energy: -151.805347
where:
bonds (distance) C4'-P energy: -34.006
bonds (distance) P-C4' energy: -26.679
flat angles C4'-P-C4' energy: -34.313
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -45.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -401.495769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.495769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.495769 (E_RNA)
where:
Base-Base interactions energy: -254.376
where: short stacking energy: -111.236
Base-Backbone interact. energy: -0.747
local terms energy: -146.372919
where:
bonds (distance) C4'-P energy: -28.905
bonds (distance) P-C4' energy: -34.201
flat angles C4'-P-C4' energy: -33.134
flat angles P-C4'-P energy: -21.743
tors. eta vs tors. theta energy: -28.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -345.509407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.509407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.509407 (E_RNA)
where:
Base-Base interactions energy: -218.573
where: short stacking energy: -105.682
Base-Backbone interact. energy: -0.432
local terms energy: -126.504929
where:
bonds (distance) C4'-P energy: -26.449
bonds (distance) P-C4' energy: -35.054
flat angles C4'-P-C4' energy: -28.527
flat angles P-C4'-P energy: -13.915
tors. eta vs tors. theta energy: -22.561
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: 8
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -317.776110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.776110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.776110 (E_RNA)
where:
Base-Base interactions energy: -202.589
where: short stacking energy: -104.737
Base-Backbone interact. energy: -0.345
local terms energy: -114.842152
where:
bonds (distance) C4'-P energy: -22.650
bonds (distance) P-C4' energy: -27.261
flat angles C4'-P-C4' energy: -28.939
flat angles P-C4'-P energy: -17.583
tors. eta vs tors. theta energy: -18.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -304.055213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.055213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.055213 (E_RNA)
where:
Base-Base interactions energy: -195.197
where: short stacking energy: -83.487
Base-Backbone interact. energy: 0.033
local terms energy: -108.891394
where:
bonds (distance) C4'-P energy: -26.965
bonds (distance) P-C4' energy: -29.195
flat angles C4'-P-C4' energy: -29.518
flat angles P-C4'-P energy: -14.929
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: 9, replica: 4
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -165.797837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.797837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.797837 (E_RNA)
where:
Base-Base interactions energy: -56.844
where: short stacking energy: -55.352
Base-Backbone interact. energy: -0.540
local terms energy: -108.413714
where:
bonds (distance) C4'-P energy: -27.170
bonds (distance) P-C4' energy: -31.115
flat angles C4'-P-C4' energy: -27.352
flat angles P-C4'-P energy: -20.972
tors. eta vs tors. theta energy: -1.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -173.747759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.747759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.747759 (E_RNA)
where:
Base-Base interactions energy: -78.894
where: short stacking energy: -60.047
Base-Backbone interact. energy: 0.430
local terms energy: -95.283841
where:
bonds (distance) C4'-P energy: -27.376
bonds (distance) P-C4' energy: -32.438
flat angles C4'-P-C4' energy: -19.297
flat angles P-C4'-P energy: -14.868
tors. eta vs tors. theta energy: -1.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -529.793692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.793692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.793692 (E_RNA)
where:
Base-Base interactions energy: -369.865
where: short stacking energy: -158.329
Base-Backbone interact. energy: -0.243
local terms energy: -159.685132
where:
bonds (distance) C4'-P energy: -29.792
bonds (distance) P-C4' energy: -30.944
flat angles C4'-P-C4' energy: -31.693
flat angles P-C4'-P energy: -24.512
tors. eta vs tors. theta energy: -42.744
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: 6
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -534.771810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.771810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.771810 (E_RNA)
where:
Base-Base interactions energy: -361.121
where: short stacking energy: -163.008
Base-Backbone interact. energy: -0.028
local terms energy: -173.622481
where:
bonds (distance) C4'-P energy: -30.972
bonds (distance) P-C4' energy: -31.470
flat angles C4'-P-C4' energy: -37.414
flat angles P-C4'-P energy: -25.293
tors. eta vs tors. theta energy: -48.474
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: 10
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -506.333336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.333336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.333336 (E_RNA)
where:
Base-Base interactions energy: -340.580
where: short stacking energy: -145.976
Base-Backbone interact. energy: -3.114
local terms energy: -162.639530
where:
bonds (distance) C4'-P energy: -28.728
bonds (distance) P-C4' energy: -30.060
flat angles C4'-P-C4' energy: -32.078
flat angles P-C4'-P energy: -27.443
tors. eta vs tors. theta energy: -44.330
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: 1
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -437.642702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.642702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.642702 (E_RNA)
where:
Base-Base interactions energy: -283.303
where: short stacking energy: -128.235
Base-Backbone interact. energy: -0.802
local terms energy: -153.537941
where:
bonds (distance) C4'-P energy: -27.776
bonds (distance) P-C4' energy: -35.074
flat angles C4'-P-C4' energy: -32.800
flat angles P-C4'-P energy: -24.597
tors. eta vs tors. theta energy: -33.291
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: 5
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -407.120912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.120912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.120912 (E_RNA)
where:
Base-Base interactions energy: -261.040
where: short stacking energy: -127.960
Base-Backbone interact. energy: 0.136
local terms energy: -146.217328
where:
bonds (distance) C4'-P energy: -34.040
bonds (distance) P-C4' energy: -25.509
flat angles C4'-P-C4' energy: -32.435
flat angles P-C4'-P energy: -19.048
tors. eta vs tors. theta energy: -35.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -336.750109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.750109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.750109 (E_RNA)
where:
Base-Base interactions energy: -214.408
where: short stacking energy: -105.113
Base-Backbone interact. energy: 0.123
local terms energy: -122.464919
where:
bonds (distance) C4'-P energy: -22.725
bonds (distance) P-C4' energy: -21.990
flat angles C4'-P-C4' energy: -30.082
flat angles P-C4'-P energy: -20.317
tors. eta vs tors. theta energy: -27.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -322.052499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.052499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.052499 (E_RNA)
where:
Base-Base interactions energy: -194.376
where: short stacking energy: -99.260
Base-Backbone interact. energy: -0.291
local terms energy: -127.384962
where:
bonds (distance) C4'-P energy: -26.560
bonds (distance) P-C4' energy: -35.409
flat angles C4'-P-C4' energy: -23.697
flat angles P-C4'-P energy: -18.632
tors. eta vs tors. theta energy: -23.088
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: 202
Temperature: 1.250000
Total energy: -314.819627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.819627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.819627 (E_RNA)
where:
Base-Base interactions energy: -198.308
where: short stacking energy: -93.196
Base-Backbone interact. energy: -0.318
local terms energy: -116.193897
where:
bonds (distance) C4'-P energy: -23.434
bonds (distance) P-C4' energy: -29.202
flat angles C4'-P-C4' energy: -25.290
flat angles P-C4'-P energy: -22.906
tors. eta vs tors. theta energy: -15.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -173.130408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.130408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.130408 (E_RNA)
where:
Base-Base interactions energy: -69.568
where: short stacking energy: -56.724
Base-Backbone interact. energy: -1.415
local terms energy: -102.146544
where:
bonds (distance) C4'-P energy: -25.304
bonds (distance) P-C4' energy: -33.877
flat angles C4'-P-C4' energy: -32.177
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -1.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -147.020674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.020674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.020674 (E_RNA)
where:
Base-Base interactions energy: -54.606
where: short stacking energy: -48.777
Base-Backbone interact. energy: -0.054
local terms energy: -92.361113
where:
bonds (distance) C4'-P energy: -31.258
bonds (distance) P-C4' energy: -20.702
flat angles C4'-P-C4' energy: -21.219
flat angles P-C4'-P energy: -20.285
tors. eta vs tors. theta energy: 1.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -537.335556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.335556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.335556 (E_RNA)
where:
Base-Base interactions energy: -376.751
where: short stacking energy: -172.471
Base-Backbone interact. energy: -0.428
local terms energy: -160.156135
where:
bonds (distance) C4'-P energy: -28.095
bonds (distance) P-C4' energy: -29.009
flat angles C4'-P-C4' energy: -30.371
flat angles P-C4'-P energy: -26.326
tors. eta vs tors. theta energy: -46.355
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: 6
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -546.218491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.218491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.218491 (E_RNA)
where:
Base-Base interactions energy: -369.498
where: short stacking energy: -167.401
Base-Backbone interact. energy: -0.528
local terms energy: -176.192556
where:
bonds (distance) C4'-P energy: -31.513
bonds (distance) P-C4' energy: -31.766
flat angles C4'-P-C4' energy: -34.408
flat angles P-C4'-P energy: -29.227
tors. eta vs tors. theta energy: -49.279
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: 10
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -504.834927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.834927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.834927 (E_RNA)
where:
Base-Base interactions energy: -355.533
where: short stacking energy: -160.368
Base-Backbone interact. energy: -0.185
local terms energy: -149.116350
where:
bonds (distance) C4'-P energy: -24.207
bonds (distance) P-C4' energy: -28.254
flat angles C4'-P-C4' energy: -33.038
flat angles P-C4'-P energy: -21.524
tors. eta vs tors. theta energy: -42.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -449.967569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.967569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.967569 (E_RNA)
where:
Base-Base interactions energy: -290.202
where: short stacking energy: -135.758
Base-Backbone interact. energy: -0.052
local terms energy: -159.713622
where:
bonds (distance) C4'-P energy: -30.526
bonds (distance) P-C4' energy: -35.423
flat angles C4'-P-C4' energy: -30.522
flat angles P-C4'-P energy: -20.881
tors. eta vs tors. theta energy: -42.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -402.497999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.497999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.497999 (E_RNA)
where:
Base-Base interactions energy: -282.414
where: short stacking energy: -135.748
Base-Backbone interact. energy: -0.515
local terms energy: -119.569331
where:
bonds (distance) C4'-P energy: -20.011
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -26.450
flat angles P-C4'-P energy: -21.905
tors. eta vs tors. theta energy: -31.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -347.020156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.020156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.020156 (E_RNA)
where:
Base-Base interactions energy: -220.760
where: short stacking energy: -101.921
Base-Backbone interact. energy: -0.184
local terms energy: -126.075984
where:
bonds (distance) C4'-P energy: -27.595
bonds (distance) P-C4' energy: -25.371
flat angles C4'-P-C4' energy: -24.918
flat angles P-C4'-P energy: -24.940
tors. eta vs tors. theta energy: -23.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -308.792260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.792260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.792260 (E_RNA)
where:
Base-Base interactions energy: -184.208
where: short stacking energy: -95.429
Base-Backbone interact. energy: -0.911
local terms energy: -123.673429
where:
bonds (distance) C4'-P energy: -33.078
bonds (distance) P-C4' energy: -30.358
flat angles C4'-P-C4' energy: -23.832
flat angles P-C4'-P energy: -21.558
tors. eta vs tors. theta energy: -14.848
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: 203
Temperature: 1.250000
Total energy: -305.900361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.900361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.900361 (E_RNA)
where:
Base-Base interactions energy: -197.971
where: short stacking energy: -106.246
Base-Backbone interact. energy: -0.818
local terms energy: -107.111308
where:
bonds (distance) C4'-P energy: -20.959
bonds (distance) P-C4' energy: -24.435
flat angles C4'-P-C4' energy: -26.315
flat angles P-C4'-P energy: -19.102
tors. eta vs tors. theta energy: -16.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -201.515395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.515395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.515395 (E_RNA)
where:
Base-Base interactions energy: -113.714
where: short stacking energy: -52.103
Base-Backbone interact. energy: -1.320
local terms energy: -86.481130
where:
bonds (distance) C4'-P energy: -20.658
bonds (distance) P-C4' energy: -20.597
flat angles C4'-P-C4' energy: -22.301
flat angles P-C4'-P energy: -18.521
tors. eta vs tors. theta energy: -4.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -154.767685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.767685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.767685 (E_RNA)
where:
Base-Base interactions energy: -69.684
where: short stacking energy: -37.473
Base-Backbone interact. energy: -1.550
local terms energy: -83.534292
where:
bonds (distance) C4'-P energy: -19.434
bonds (distance) P-C4' energy: -27.703
flat angles C4'-P-C4' energy: -23.673
flat angles P-C4'-P energy: -18.717
tors. eta vs tors. theta energy: 5.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -516.081078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.081078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.081078 (E_RNA)
where:
Base-Base interactions energy: -360.018
where: short stacking energy: -164.381
Base-Backbone interact. energy: -0.059
local terms energy: -156.004604
where:
bonds (distance) C4'-P energy: -26.091
bonds (distance) P-C4' energy: -27.703
flat angles C4'-P-C4' energy: -32.640
flat angles P-C4'-P energy: -24.615
tors. eta vs tors. theta energy: -44.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -532.362978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.362978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.362978 (E_RNA)
where:
Base-Base interactions energy: -378.965
where: short stacking energy: -170.234
Base-Backbone interact. energy: 0.358
local terms energy: -153.755751
where:
bonds (distance) C4'-P energy: -27.127
bonds (distance) P-C4' energy: -32.525
flat angles C4'-P-C4' energy: -31.397
flat angles P-C4'-P energy: -19.832
tors. eta vs tors. theta energy: -42.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -501.858799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.858799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.858799 (E_RNA)
where:
Base-Base interactions energy: -337.812
where: short stacking energy: -147.357
Base-Backbone interact. energy: -0.159
local terms energy: -163.887422
where:
bonds (distance) C4'-P energy: -29.385
bonds (distance) P-C4' energy: -34.019
flat angles C4'-P-C4' energy: -35.651
flat angles P-C4'-P energy: -24.922
tors. eta vs tors. theta energy: -39.911
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: 1
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -450.131609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.131609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.131609 (E_RNA)
where:
Base-Base interactions energy: -302.662
where: short stacking energy: -135.848
Base-Backbone interact. energy: -0.091
local terms energy: -147.378359
where:
bonds (distance) C4'-P energy: -29.382
bonds (distance) P-C4' energy: -29.552
flat angles C4'-P-C4' energy: -29.814
flat angles P-C4'-P energy: -19.175
tors. eta vs tors. theta energy: -39.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -412.629412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.629412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.629412 (E_RNA)
where:
Base-Base interactions energy: -261.629
where: short stacking energy: -128.258
Base-Backbone interact. energy: -0.666
local terms energy: -150.334401
where:
bonds (distance) C4'-P energy: -31.239
bonds (distance) P-C4' energy: -31.984
flat angles C4'-P-C4' energy: -29.226
flat angles P-C4'-P energy: -24.529
tors. eta vs tors. theta energy: -33.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -347.653394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.653394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.653394 (E_RNA)
where:
Base-Base interactions energy: -215.356
where: short stacking energy: -113.828
Base-Backbone interact. energy: -0.366
local terms energy: -131.930455
where:
bonds (distance) C4'-P energy: -29.469
bonds (distance) P-C4' energy: -28.968
flat angles C4'-P-C4' energy: -28.488
flat angles P-C4'-P energy: -20.166
tors. eta vs tors. theta energy: -24.839
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: 7, replica: 7
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -348.504939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.504939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.504939 (E_RNA)
where:
Base-Base interactions energy: -217.504
where: short stacking energy: -104.957
Base-Backbone interact. energy: -1.747
local terms energy: -129.253611
where:
bonds (distance) C4'-P energy: -27.775
bonds (distance) P-C4' energy: -30.445
flat angles C4'-P-C4' energy: -23.979
flat angles P-C4'-P energy: -21.739
tors. eta vs tors. theta energy: -25.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -331.100046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.100046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.100046 (E_RNA)
where:
Base-Base interactions energy: -202.104
where: short stacking energy: -100.625
Base-Backbone interact. energy: 0.232
local terms energy: -129.228031
where:
bonds (distance) C4'-P energy: -27.482
bonds (distance) P-C4' energy: -32.615
flat angles C4'-P-C4' energy: -33.832
flat angles P-C4'-P energy: -8.363
tors. eta vs tors. theta energy: -26.936
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: 4
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -157.492842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.492842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.492842 (E_RNA)
where:
Base-Base interactions energy: -62.578
where: short stacking energy: -39.370
Base-Backbone interact. energy: -0.597
local terms energy: -94.317955
where:
bonds (distance) C4'-P energy: -19.440
bonds (distance) P-C4' energy: -27.562
flat angles C4'-P-C4' energy: -29.236
flat angles P-C4'-P energy: -19.707
tors. eta vs tors. theta energy: 1.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -149.063562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.063562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.063562 (E_RNA)
where:
Base-Base interactions energy: -55.152
where: short stacking energy: -48.377
Base-Backbone interact. energy: -0.219
local terms energy: -93.692782
where:
bonds (distance) C4'-P energy: -25.449
bonds (distance) P-C4' energy: -24.874
flat angles C4'-P-C4' energy: -21.616
flat angles P-C4'-P energy: -14.583
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: 1, replica: 2
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -532.344233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.344233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.344233 (E_RNA)
where:
Base-Base interactions energy: -361.079
where: short stacking energy: -152.182
Base-Backbone interact. energy: -2.240
local terms energy: -169.024988
where:
bonds (distance) C4'-P energy: -24.882
bonds (distance) P-C4' energy: -37.703
flat angles C4'-P-C4' energy: -34.386
flat angles P-C4'-P energy: -27.739
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: 2, replica: 6
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -543.115109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.115109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.115109 (E_RNA)
where:
Base-Base interactions energy: -378.486
where: short stacking energy: -160.992
Base-Backbone interact. energy: -0.244
local terms energy: -164.385106
where:
bonds (distance) C4'-P energy: -25.834
bonds (distance) P-C4' energy: -30.433
flat angles C4'-P-C4' energy: -36.652
flat angles P-C4'-P energy: -21.558
tors. eta vs tors. theta energy: -49.909
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: 205
Temperature: 1.000000
Total energy: -481.907821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.907821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.907821 (E_RNA)
where:
Base-Base interactions energy: -328.262
where: short stacking energy: -138.415
Base-Backbone interact. energy: -2.486
local terms energy: -151.160396
where:
bonds (distance) C4'-P energy: -34.335
bonds (distance) P-C4' energy: -32.704
flat angles C4'-P-C4' energy: -25.313
flat angles P-C4'-P energy: -20.560
tors. eta vs tors. theta energy: -38.248
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: 1
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -460.861677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.861677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.861677 (E_RNA)
where:
Base-Base interactions energy: -307.139
where: short stacking energy: -136.225
Base-Backbone interact. energy: -1.954
local terms energy: -151.768634
where:
bonds (distance) C4'-P energy: -31.874
bonds (distance) P-C4' energy: -31.853
flat angles C4'-P-C4' energy: -35.036
flat angles P-C4'-P energy: -21.472
tors. eta vs tors. theta energy: -31.533
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: 5
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -428.074952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.074952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.074952 (E_RNA)
where:
Base-Base interactions energy: -275.547
where: short stacking energy: -130.529
Base-Backbone interact. energy: -0.043
local terms energy: -152.484304
where:
bonds (distance) C4'-P energy: -27.881
bonds (distance) P-C4' energy: -33.899
flat angles C4'-P-C4' energy: -29.849
flat angles P-C4'-P energy: -22.726
tors. eta vs tors. theta energy: -38.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -380.772821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.772821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.772821 (E_RNA)
where:
Base-Base interactions energy: -240.936
where: short stacking energy: -137.212
Base-Backbone interact. energy: -0.343
local terms energy: -139.493619
where:
bonds (distance) C4'-P energy: -24.428
bonds (distance) P-C4' energy: -24.585
flat angles C4'-P-C4' energy: -31.169
flat angles P-C4'-P energy: -23.378
tors. eta vs tors. theta energy: -35.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -330.472011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.472011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.472011 (E_RNA)
where:
Base-Base interactions energy: -198.257
where: short stacking energy: -107.545
Base-Backbone interact. energy: -0.217
local terms energy: -131.998730
where:
bonds (distance) C4'-P energy: -31.247
bonds (distance) P-C4' energy: -26.609
flat angles C4'-P-C4' energy: -32.411
flat angles P-C4'-P energy: -16.895
tors. eta vs tors. theta energy: -24.836
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: 3
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -304.004151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.004151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.004151 (E_RNA)
where:
Base-Base interactions energy: -172.606
where: short stacking energy: -98.472
Base-Backbone interact. energy: 0.245
local terms energy: -131.643187
where:
bonds (distance) C4'-P energy: -27.294
bonds (distance) P-C4' energy: -35.338
flat angles C4'-P-C4' energy: -28.674
flat angles P-C4'-P energy: -16.268
tors. eta vs tors. theta energy: -24.069
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: 4
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -181.510570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.510570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.510570 (E_RNA)
where:
Base-Base interactions energy: -89.722
where: short stacking energy: -49.333
Base-Backbone interact. energy: -0.235
local terms energy: -91.553109
where:
bonds (distance) C4'-P energy: -24.591
bonds (distance) P-C4' energy: -28.247
flat angles C4'-P-C4' energy: -23.940
flat angles P-C4'-P energy: -16.886
tors. eta vs tors. theta energy: 2.111
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: 205
Temperature: 1.350000
Total energy: -156.682421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.682421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.682421 (E_RNA)
where:
Base-Base interactions energy: -66.443
where: short stacking energy: -60.141
Base-Backbone interact. energy: -0.494
local terms energy: -89.745661
where:
bonds (distance) C4'-P energy: -11.899
bonds (distance) P-C4' energy: -34.703
flat angles C4'-P-C4' energy: -22.166
flat angles P-C4'-P energy: -20.474
tors. eta vs tors. theta energy: -0.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -548.261596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.261596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.261596 (E_RNA)
where:
Base-Base interactions energy: -368.695
where: short stacking energy: -160.231
Base-Backbone interact. energy: -0.094
local terms energy: -179.472191
where:
bonds (distance) C4'-P energy: -32.068
bonds (distance) P-C4' energy: -34.879
flat angles C4'-P-C4' energy: -37.145
flat angles P-C4'-P energy: -24.244
tors. eta vs tors. theta energy: -51.136
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: 2
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -530.207234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.207234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.207234 (E_RNA)
where:
Base-Base interactions energy: -356.992
where: short stacking energy: -165.645
Base-Backbone interact. energy: -0.729
local terms energy: -172.485480
where:
bonds (distance) C4'-P energy: -28.390
bonds (distance) P-C4' energy: -31.654
flat angles C4'-P-C4' energy: -35.974
flat angles P-C4'-P energy: -30.059
tors. eta vs tors. theta energy: -46.408
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: 1
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -472.390459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.390459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.390459 (E_RNA)
where:
Base-Base interactions energy: -311.491
where: short stacking energy: -143.874
Base-Backbone interact. energy: -1.180
local terms energy: -159.719493
where:
bonds (distance) C4'-P energy: -24.800
bonds (distance) P-C4' energy: -35.723
flat angles C4'-P-C4' energy: -35.288
flat angles P-C4'-P energy: -22.828
tors. eta vs tors. theta energy: -41.080
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: 206
Temperature: 1.050000
Total energy: -492.737025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.737025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.737025 (E_RNA)
where:
Base-Base interactions energy: -330.845
where: short stacking energy: -153.482
Base-Backbone interact. energy: -0.139
local terms energy: -161.752827
where:
bonds (distance) C4'-P energy: -31.472
bonds (distance) P-C4' energy: -34.566
flat angles C4'-P-C4' energy: -32.282
flat angles P-C4'-P energy: -21.221
tors. eta vs tors. theta energy: -42.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -418.562649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.562649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.562649 (E_RNA)
where:
Base-Base interactions energy: -285.235
where: short stacking energy: -126.328
Base-Backbone interact. energy: -0.335
local terms energy: -132.992740
where:
bonds (distance) C4'-P energy: -29.038
bonds (distance) P-C4' energy: -27.265
flat angles C4'-P-C4' energy: -23.191
flat angles P-C4'-P energy: -18.607
tors. eta vs tors. theta energy: -34.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -354.411444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.411444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.411444 (E_RNA)
where:
Base-Base interactions energy: -240.656
where: short stacking energy: -104.001
Base-Backbone interact. energy: -1.391
local terms energy: -112.365093
where:
bonds (distance) C4'-P energy: -18.378
bonds (distance) P-C4' energy: -23.566
flat angles C4'-P-C4' energy: -27.092
flat angles P-C4'-P energy: -20.650
tors. eta vs tors. theta energy: -22.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -318.821319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.821319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.821319 (E_RNA)
where:
Base-Base interactions energy: -204.814
where: short stacking energy: -80.553
Base-Backbone interact. energy: -0.322
local terms energy: -113.684758
where:
bonds (distance) C4'-P energy: -28.988
bonds (distance) P-C4' energy: -31.162
flat angles C4'-P-C4' energy: -25.538
flat angles P-C4'-P energy: -14.137
tors. eta vs tors. theta energy: -13.860
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: 3
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -296.982921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.982921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.982921 (E_RNA)
where:
Base-Base interactions energy: -168.764
where: short stacking energy: -84.943
Base-Backbone interact. energy: -0.149
local terms energy: -128.069958
where:
bonds (distance) C4'-P energy: -25.520
bonds (distance) P-C4' energy: -28.492
flat angles C4'-P-C4' energy: -33.188
flat angles P-C4'-P energy: -18.381
tors. eta vs tors. theta energy: -22.489
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: 9, replica: 4
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -244.690672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.690672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.690672 (E_RNA)
where:
Base-Base interactions energy: -148.006
where: short stacking energy: -65.491
Base-Backbone interact. energy: 0.773
local terms energy: -97.457904
where:
bonds (distance) C4'-P energy: -24.531
bonds (distance) P-C4' energy: -22.765
flat angles C4'-P-C4' energy: -26.344
flat angles P-C4'-P energy: -18.181
tors. eta vs tors. theta energy: -5.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -164.818058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.818058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.818058 (E_RNA)
where:
Base-Base interactions energy: -73.512
where: short stacking energy: -65.820
Base-Backbone interact. energy: -0.492
local terms energy: -90.813913
where:
bonds (distance) C4'-P energy: -26.408
bonds (distance) P-C4' energy: -34.174
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -1.168
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: 6
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -550.887240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.887240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.887240 (E_RNA)
where:
Base-Base interactions energy: -377.351
where: short stacking energy: -169.626
Base-Backbone interact. energy: -0.184
local terms energy: -173.351986
where:
bonds (distance) C4'-P energy: -26.042
bonds (distance) P-C4' energy: -34.505
flat angles C4'-P-C4' energy: -33.462
flat angles P-C4'-P energy: -28.400
tors. eta vs tors. theta energy: -50.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -521.142189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.142189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.142189 (E_RNA)
where:
Base-Base interactions energy: -357.381
where: short stacking energy: -155.220
Base-Backbone interact. energy: -2.007
local terms energy: -161.753278
where:
bonds (distance) C4'-P energy: -30.549
bonds (distance) P-C4' energy: -27.025
flat angles C4'-P-C4' energy: -32.841
flat angles P-C4'-P energy: -26.367
tors. eta vs tors. theta energy: -44.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -484.276103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.276103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.276103 (E_RNA)
where:
Base-Base interactions energy: -317.426
where: short stacking energy: -152.540
Base-Backbone interact. energy: -0.302
local terms energy: -166.547520
where:
bonds (distance) C4'-P energy: -34.158
bonds (distance) P-C4' energy: -32.548
flat angles C4'-P-C4' energy: -30.653
flat angles P-C4'-P energy: -24.580
tors. eta vs tors. theta energy: -44.609
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: 207
Temperature: 1.050000
Total energy: -470.319808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.319808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.319808 (E_RNA)
where:
Base-Base interactions energy: -313.912
where: short stacking energy: -130.376
Base-Backbone interact. energy: -3.863
local terms energy: -152.544119
where:
bonds (distance) C4'-P energy: -30.221
bonds (distance) P-C4' energy: -31.126
flat angles C4'-P-C4' energy: -35.014
flat angles P-C4'-P energy: -23.853
tors. eta vs tors. theta energy: -32.331
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: 5
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -409.247995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.247995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.247995 (E_RNA)
where:
Base-Base interactions energy: -257.155
where: short stacking energy: -120.570
Base-Backbone interact. energy: -1.744
local terms energy: -150.348987
where:
bonds (distance) C4'-P energy: -34.445
bonds (distance) P-C4' energy: -32.714
flat angles C4'-P-C4' energy: -32.036
flat angles P-C4'-P energy: -20.738
tors. eta vs tors. theta energy: -30.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -416.297593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.297593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.297593 (E_RNA)
where:
Base-Base interactions energy: -279.058
where: short stacking energy: -136.523
Base-Backbone interact. energy: -0.401
local terms energy: -136.838926
where:
bonds (distance) C4'-P energy: -24.914
bonds (distance) P-C4' energy: -21.848
flat angles C4'-P-C4' energy: -31.028
flat angles P-C4'-P energy: -19.070
tors. eta vs tors. theta energy: -39.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -332.013200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.013200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.013200 (E_RNA)
where:
Base-Base interactions energy: -206.298
where: short stacking energy: -101.926
Base-Backbone interact. energy: -1.271
local terms energy: -124.443556
where:
bonds (distance) C4'-P energy: -32.142
bonds (distance) P-C4' energy: -27.765
flat angles C4'-P-C4' energy: -30.354
flat angles P-C4'-P energy: -6.973
tors. eta vs tors. theta energy: -27.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -319.444636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.444636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.444636 (E_RNA)
where:
Base-Base interactions energy: -195.508
where: short stacking energy: -102.271
Base-Backbone interact. energy: -0.458
local terms energy: -123.478476
where:
bonds (distance) C4'-P energy: -18.449
bonds (distance) P-C4' energy: -26.783
flat angles C4'-P-C4' energy: -29.462
flat angles P-C4'-P energy: -25.124
tors. eta vs tors. theta energy: -23.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -213.984972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.984972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.984972 (E_RNA)
where:
Base-Base interactions energy: -107.980
where: short stacking energy: -71.715
Base-Backbone interact. energy: -0.111
local terms energy: -105.893653
where:
bonds (distance) C4'-P energy: -33.598
bonds (distance) P-C4' energy: -27.855
flat angles C4'-P-C4' energy: -22.404
flat angles P-C4'-P energy: -14.231
tors. eta vs tors. theta energy: -7.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -146.549484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.549484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.549484 (E_RNA)
where:
Base-Base interactions energy: -50.156
where: short stacking energy: -40.739
Base-Backbone interact. energy: 4.383
local terms energy: -100.776754
where:
bonds (distance) C4'-P energy: -29.170
bonds (distance) P-C4' energy: -20.174
flat angles C4'-P-C4' energy: -29.220
flat angles P-C4'-P energy: -20.259
tors. eta vs tors. theta energy: -1.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -551.460124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.460124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.460124 (E_RNA)
where:
Base-Base interactions energy: -375.726
where: short stacking energy: -172.641
Base-Backbone interact. energy: -0.091
local terms energy: -175.642591
where:
bonds (distance) C4'-P energy: -32.138
bonds (distance) P-C4' energy: -34.627
flat angles C4'-P-C4' energy: -34.984
flat angles P-C4'-P energy: -26.047
tors. eta vs tors. theta energy: -47.847
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: 2
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -531.316183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.316183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.316183 (E_RNA)
where:
Base-Base interactions energy: -368.316
where: short stacking energy: -152.532
Base-Backbone interact. energy: 0.073
local terms energy: -163.073012
where:
bonds (distance) C4'-P energy: -33.348
bonds (distance) P-C4' energy: -26.753
flat angles C4'-P-C4' energy: -34.655
flat angles P-C4'-P energy: -30.952
tors. eta vs tors. theta energy: -37.365
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: 10
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -481.034689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.034689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.034689 (E_RNA)
where:
Base-Base interactions energy: -321.480
where: short stacking energy: -144.740
Base-Backbone interact. energy: -0.321
local terms energy: -159.233523
where:
bonds (distance) C4'-P energy: -28.263
bonds (distance) P-C4' energy: -35.160
flat angles C4'-P-C4' energy: -32.582
flat angles P-C4'-P energy: -22.500
tors. eta vs tors. theta energy: -40.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -456.289537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.289537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.289537 (E_RNA)
where:
Base-Base interactions energy: -307.145
where: short stacking energy: -150.384
Base-Backbone interact. energy: -0.394
local terms energy: -148.750958
where:
bonds (distance) C4'-P energy: -24.728
bonds (distance) P-C4' energy: -30.659
flat angles C4'-P-C4' energy: -31.303
flat angles P-C4'-P energy: -25.796
tors. eta vs tors. theta energy: -36.266
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: 7
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -458.568682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.568682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.568682 (E_RNA)
where:
Base-Base interactions energy: -313.874
where: short stacking energy: -136.254
Base-Backbone interact. energy: -0.631
local terms energy: -144.064021
where:
bonds (distance) C4'-P energy: -31.306
bonds (distance) P-C4' energy: -22.995
flat angles C4'-P-C4' energy: -32.603
flat angles P-C4'-P energy: -19.447
tors. eta vs tors. theta energy: -37.713
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: 5
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -405.393339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.393339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.393339 (E_RNA)
where:
Base-Base interactions energy: -277.993
where: short stacking energy: -127.838
Base-Backbone interact. energy: -0.594
local terms energy: -126.805990
where:
bonds (distance) C4'-P energy: -18.597
bonds (distance) P-C4' energy: -31.618
flat angles C4'-P-C4' energy: -28.328
flat angles P-C4'-P energy: -19.513
tors. eta vs tors. theta energy: -28.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -329.725230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.725230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.725230 (E_RNA)
where:
Base-Base interactions energy: -196.540
where: short stacking energy: -97.759
Base-Backbone interact. energy: -0.395
local terms energy: -132.791051
where:
bonds (distance) C4'-P energy: -30.777
bonds (distance) P-C4' energy: -30.790
flat angles C4'-P-C4' energy: -25.186
flat angles P-C4'-P energy: -19.659
tors. eta vs tors. theta energy: -26.379
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: 8
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -323.549298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.549298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.549298 (E_RNA)
where:
Base-Base interactions energy: -200.948
where: short stacking energy: -98.179
Base-Backbone interact. energy: -1.009
local terms energy: -121.592192
where:
bonds (distance) C4'-P energy: -28.118
bonds (distance) P-C4' energy: -27.840
flat angles C4'-P-C4' energy: -31.929
flat angles P-C4'-P energy: -14.970
tors. eta vs tors. theta energy: -18.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -233.433745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.433745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.433745 (E_RNA)
where:
Base-Base interactions energy: -119.646
where: short stacking energy: -67.940
Base-Backbone interact. energy: -0.275
local terms energy: -113.512770
where:
bonds (distance) C4'-P energy: -29.903
bonds (distance) P-C4' energy: -29.017
flat angles C4'-P-C4' energy: -27.897
flat angles P-C4'-P energy: -20.974
tors. eta vs tors. theta energy: -5.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -178.318060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.318060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.318060 (E_RNA)
where:
Base-Base interactions energy: -90.013
where: short stacking energy: -52.003
Base-Backbone interact. energy: -0.783
local terms energy: -87.522627
where:
bonds (distance) C4'-P energy: -28.806
bonds (distance) P-C4' energy: -27.389
flat angles C4'-P-C4' energy: -25.700
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: 4.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -555.765982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.765982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.765982 (E_RNA)
where:
Base-Base interactions energy: -381.287
where: short stacking energy: -168.023
Base-Backbone interact. energy: -0.731
local terms energy: -173.747681
where:
bonds (distance) C4'-P energy: -30.017
bonds (distance) P-C4' energy: -32.419
flat angles C4'-P-C4' energy: -36.972
flat angles P-C4'-P energy: -26.372
tors. eta vs tors. theta energy: -47.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -519.302706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.302706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.302706 (E_RNA)
where:
Base-Base interactions energy: -356.423
where: short stacking energy: -153.278
Base-Backbone interact. energy: 0.033
local terms energy: -162.912628
where:
bonds (distance) C4'-P energy: -33.157
bonds (distance) P-C4' energy: -28.174
flat angles C4'-P-C4' energy: -32.384
flat angles P-C4'-P energy: -22.990
tors. eta vs tors. theta energy: -46.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -498.823795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.823795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.823795 (E_RNA)
where:
Base-Base interactions energy: -327.123
where: short stacking energy: -144.597
Base-Backbone interact. energy: -0.952
local terms energy: -170.749122
where:
bonds (distance) C4'-P energy: -33.135
bonds (distance) P-C4' energy: -36.344
flat angles C4'-P-C4' energy: -34.332
flat angles P-C4'-P energy: -21.010
tors. eta vs tors. theta energy: -45.928
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: 1
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -455.140672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.140672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.140672 (E_RNA)
where:
Base-Base interactions energy: -298.266
where: short stacking energy: -132.188
Base-Backbone interact. energy: -1.505
local terms energy: -155.369874
where:
bonds (distance) C4'-P energy: -28.675
bonds (distance) P-C4' energy: -33.639
flat angles C4'-P-C4' energy: -32.875
flat angles P-C4'-P energy: -25.496
tors. eta vs tors. theta energy: -34.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -444.133564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.133564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.133564 (E_RNA)
where:
Base-Base interactions energy: -284.691
where: short stacking energy: -129.634
Base-Backbone interact. energy: -0.166
local terms energy: -159.276780
where:
bonds (distance) C4'-P energy: -27.373
bonds (distance) P-C4' energy: -31.346
flat angles C4'-P-C4' energy: -29.402
flat angles P-C4'-P energy: -32.056
tors. eta vs tors. theta energy: -39.099
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: 5
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -407.203427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.203427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.203427 (E_RNA)
where:
Base-Base interactions energy: -265.201
where: short stacking energy: -125.623
Base-Backbone interact. energy: 0.064
local terms energy: -142.066422
where:
bonds (distance) C4'-P energy: -27.812
bonds (distance) P-C4' energy: -24.410
flat angles C4'-P-C4' energy: -36.024
flat angles P-C4'-P energy: -20.792
tors. eta vs tors. theta energy: -33.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -343.787565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.787565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.787565 (E_RNA)
where:
Base-Base interactions energy: -233.542
where: short stacking energy: -108.086
Base-Backbone interact. energy: -0.645
local terms energy: -109.600550
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -19.465
flat angles C4'-P-C4' energy: -29.893
flat angles P-C4'-P energy: -24.348
tors. eta vs tors. theta energy: -19.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -274.786127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.786127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.786127 (E_RNA)
where:
Base-Base interactions energy: -147.846
where: short stacking energy: -75.467
Base-Backbone interact. energy: 2.516
local terms energy: -129.456524
where:
bonds (distance) C4'-P energy: -32.909
bonds (distance) P-C4' energy: -31.770
flat angles C4'-P-C4' energy: -27.656
flat angles P-C4'-P energy: -22.419
tors. eta vs tors. theta energy: -14.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -318.410960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.410960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.410960 (E_RNA)
where:
Base-Base interactions energy: -190.996
where: short stacking energy: -92.151
Base-Backbone interact. energy: -0.328
local terms energy: -127.086802
where:
bonds (distance) C4'-P energy: -31.442
bonds (distance) P-C4' energy: -31.537
flat angles C4'-P-C4' energy: -22.652
flat angles P-C4'-P energy: -15.765
tors. eta vs tors. theta energy: -25.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -197.223800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.223800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.223800 (E_RNA)
where:
Base-Base interactions energy: -80.983
where: short stacking energy: -41.596
Base-Backbone interact. energy: -0.427
local terms energy: -115.814428
where:
bonds (distance) C4'-P energy: -33.618
bonds (distance) P-C4' energy: -36.415
flat angles C4'-P-C4' energy: -20.196
flat angles P-C4'-P energy: -23.644
tors. eta vs tors. theta energy: -1.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -561.387018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.387018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.387018 (E_RNA)
where:
Base-Base interactions energy: -379.271
where: short stacking energy: -180.250
Base-Backbone interact. energy: -1.441
local terms energy: -180.674927
where:
bonds (distance) C4'-P energy: -34.756
bonds (distance) P-C4' energy: -37.406
flat angles C4'-P-C4' energy: -40.065
flat angles P-C4'-P energy: -21.207
tors. eta vs tors. theta energy: -47.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -532.377594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.377594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.377594 (E_RNA)
where:
Base-Base interactions energy: -361.806
where: short stacking energy: -167.794
Base-Backbone interact. energy: -0.188
local terms energy: -170.383447
where:
bonds (distance) C4'-P energy: -29.090
bonds (distance) P-C4' energy: -32.034
flat angles C4'-P-C4' energy: -39.976
flat angles P-C4'-P energy: -25.225
tors. eta vs tors. theta energy: -44.058
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: 1
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -468.752017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.752017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.752017 (E_RNA)
where:
Base-Base interactions energy: -302.530
where: short stacking energy: -144.707
Base-Backbone interact. energy: -1.513
local terms energy: -164.708222
where:
bonds (distance) C4'-P energy: -29.821
bonds (distance) P-C4' energy: -31.710
flat angles C4'-P-C4' energy: -37.847
flat angles P-C4'-P energy: -26.619
tors. eta vs tors. theta energy: -38.712
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: 10
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -487.357004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.357004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.357004 (E_RNA)
where:
Base-Base interactions energy: -344.178
where: short stacking energy: -149.325
Base-Backbone interact. energy: 2.840
local terms energy: -146.019439
where:
bonds (distance) C4'-P energy: -28.205
bonds (distance) P-C4' energy: -26.573
flat angles C4'-P-C4' energy: -33.079
flat angles P-C4'-P energy: -14.597
tors. eta vs tors. theta energy: -43.565
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: 7
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -436.236211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.236211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.236211 (E_RNA)
where:
Base-Base interactions energy: -298.891
where: short stacking energy: -139.513
Base-Backbone interact. energy: 1.458
local terms energy: -138.802994
where:
bonds (distance) C4'-P energy: -24.650
bonds (distance) P-C4' energy: -26.337
flat angles C4'-P-C4' energy: -32.526
flat angles P-C4'-P energy: -15.445
tors. eta vs tors. theta energy: -39.846
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: 6, replica: 5
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -411.583179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.583179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.583179 (E_RNA)
where:
Base-Base interactions energy: -265.727
where: short stacking energy: -119.545
Base-Backbone interact. energy: -1.971
local terms energy: -143.885101
where:
bonds (distance) C4'-P energy: -20.625
bonds (distance) P-C4' energy: -32.038
flat angles C4'-P-C4' energy: -31.828
flat angles P-C4'-P energy: -23.307
tors. eta vs tors. theta energy: -36.088
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: 210
Temperature: 1.200000
Total energy: -347.464740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.464740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.464740 (E_RNA)
where:
Base-Base interactions energy: -204.341
where: short stacking energy: -107.895
Base-Backbone interact. energy: -0.119
local terms energy: -143.005329
where:
bonds (distance) C4'-P energy: -31.352
bonds (distance) P-C4' energy: -29.900
flat angles C4'-P-C4' energy: -29.788
flat angles P-C4'-P energy: -21.553
tors. eta vs tors. theta energy: -30.411
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: 4
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -231.612222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.612222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.612222 (E_RNA)
where:
Base-Base interactions energy: -119.789
where: short stacking energy: -74.617
Base-Backbone interact. energy: -0.371
local terms energy: -111.451642
where:
bonds (distance) C4'-P energy: -21.847
bonds (distance) P-C4' energy: -30.048
flat angles C4'-P-C4' energy: -29.470
flat angles P-C4'-P energy: -22.012
tors. eta vs tors. theta energy: -8.074
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: 8
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -297.360139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.360139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.360139 (E_RNA)
where:
Base-Base interactions energy: -182.415
where: short stacking energy: -87.303
Base-Backbone interact. energy: -0.809
local terms energy: -114.136427
where:
bonds (distance) C4'-P energy: -23.221
bonds (distance) P-C4' energy: -23.181
flat angles C4'-P-C4' energy: -24.594
flat angles P-C4'-P energy: -21.329
tors. eta vs tors. theta energy: -21.811
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: 10, replica: 9
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -194.153937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.153937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.153937 (E_RNA)
where:
Base-Base interactions energy: -91.283
where: short stacking energy: -61.711
Base-Backbone interact. energy: -0.565
local terms energy: -102.306587
where:
bonds (distance) C4'-P energy: -33.580
bonds (distance) P-C4' energy: -28.802
flat angles C4'-P-C4' energy: -23.836
flat angles P-C4'-P energy: -12.905
tors. eta vs tors. theta energy: -3.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -552.608199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.608199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.608199 (E_RNA)
where:
Base-Base interactions energy: -389.126
where: short stacking energy: -166.946
Base-Backbone interact. energy: -0.058
local terms energy: -163.424508
where:
bonds (distance) C4'-P energy: -23.331
bonds (distance) P-C4' energy: -34.461
flat angles C4'-P-C4' energy: -33.083
flat angles P-C4'-P energy: -27.011
tors. eta vs tors. theta energy: -45.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -537.482273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.482273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.482273 (E_RNA)
where:
Base-Base interactions energy: -370.103
where: short stacking energy: -162.914
Base-Backbone interact. energy: -1.519
local terms energy: -165.860035
where:
bonds (distance) C4'-P energy: -25.265
bonds (distance) P-C4' energy: -33.080
flat angles C4'-P-C4' energy: -37.066
flat angles P-C4'-P energy: -23.208
tors. eta vs tors. theta energy: -47.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -472.298947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.298947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.298947 (E_RNA)
where:
Base-Base interactions energy: -303.891
where: short stacking energy: -145.223
Base-Backbone interact. energy: -1.047
local terms energy: -167.361143
where:
bonds (distance) C4'-P energy: -30.513
bonds (distance) P-C4' energy: -27.091
flat angles C4'-P-C4' energy: -35.091
flat angles P-C4'-P energy: -26.925
tors. eta vs tors. theta energy: -47.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -485.446888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.446888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.446888 (E_RNA)
where:
Base-Base interactions energy: -337.758
where: short stacking energy: -135.142
Base-Backbone interact. energy: -0.317
local terms energy: -147.371769
where:
bonds (distance) C4'-P energy: -29.058
bonds (distance) P-C4' energy: -31.728
flat angles C4'-P-C4' energy: -32.499
flat angles P-C4'-P energy: -21.613
tors. eta vs tors. theta energy: -32.474
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: 211
Temperature: 1.100000
Total energy: -438.278192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.278192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.278192 (E_RNA)
where:
Base-Base interactions energy: -289.970
where: short stacking energy: -126.391
Base-Backbone interact. energy: -1.881
local terms energy: -146.427419
where:
bonds (distance) C4'-P energy: -28.552
bonds (distance) P-C4' energy: -31.524
flat angles C4'-P-C4' energy: -30.209
flat angles P-C4'-P energy: -19.546
tors. eta vs tors. theta energy: -36.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -343.114469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.114469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.114469 (E_RNA)
where:
Base-Base interactions energy: -209.710
where: short stacking energy: -96.236
Base-Backbone interact. energy: 1.063
local terms energy: -134.468043
where:
bonds (distance) C4'-P energy: -28.996
bonds (distance) P-C4' energy: -36.987
flat angles C4'-P-C4' energy: -28.242
flat angles P-C4'-P energy: -19.347
tors. eta vs tors. theta energy: -20.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -380.257036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.257036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.257036 (E_RNA)
where:
Base-Base interactions energy: -256.525
where: short stacking energy: -94.352
Base-Backbone interact. energy: -1.269
local terms energy: -122.462912
where:
bonds (distance) C4'-P energy: -26.683
bonds (distance) P-C4' energy: -28.502
flat angles C4'-P-C4' energy: -28.951
flat angles P-C4'-P energy: -16.274
tors. eta vs tors. theta energy: -22.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -312.084243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.084243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.084243 (E_RNA)
where:
Base-Base interactions energy: -197.815
where: short stacking energy: -100.575
Base-Backbone interact. energy: -0.440
local terms energy: -113.828981
where:
bonds (distance) C4'-P energy: -20.297
bonds (distance) P-C4' energy: -28.843
flat angles C4'-P-C4' energy: -25.060
flat angles P-C4'-P energy: -20.388
tors. eta vs tors. theta energy: -19.241
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: 4
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -228.411440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.411440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.411440 (E_RNA)
where:
Base-Base interactions energy: -119.747
where: short stacking energy: -76.539
Base-Backbone interact. energy: -0.445
local terms energy: -108.218806
where:
bonds (distance) C4'-P energy: -25.632
bonds (distance) P-C4' energy: -35.220
flat angles C4'-P-C4' energy: -19.141
flat angles P-C4'-P energy: -15.564
tors. eta vs tors. theta energy: -12.662
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: 9
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -199.035337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.035337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.035337 (E_RNA)
where:
Base-Base interactions energy: -116.076
where: short stacking energy: -51.329
Base-Backbone interact. energy: 1.201
local terms energy: -84.160157
where:
bonds (distance) C4'-P energy: -18.018
bonds (distance) P-C4' energy: -29.193
flat angles C4'-P-C4' energy: -26.553
flat angles P-C4'-P energy: -9.605
tors. eta vs tors. theta energy: -0.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -533.018251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.018251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.018251 (E_RNA)
where:
Base-Base interactions energy: -374.752
where: short stacking energy: -167.950
Base-Backbone interact. energy: 3.091
local terms energy: -161.357204
where:
bonds (distance) C4'-P energy: -28.441
bonds (distance) P-C4' energy: -26.222
flat angles C4'-P-C4' energy: -35.541
flat angles P-C4'-P energy: -29.312
tors. eta vs tors. theta energy: -41.841
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: 6
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -536.686462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.686462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.686462 (E_RNA)
where:
Base-Base interactions energy: -371.816
where: short stacking energy: -168.816
Base-Backbone interact. energy: -0.014
local terms energy: -164.856948
where:
bonds (distance) C4'-P energy: -28.825
bonds (distance) P-C4' energy: -22.596
flat angles C4'-P-C4' energy: -37.002
flat angles P-C4'-P energy: -27.937
tors. eta vs tors. theta energy: -48.497
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: 212
Temperature: 1.000000
Total energy: -509.118509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.118509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.118509 (E_RNA)
where:
Base-Base interactions energy: -340.494
where: short stacking energy: -145.248
Base-Backbone interact. energy: -1.816
local terms energy: -166.808059
where:
bonds (distance) C4'-P energy: -32.784
bonds (distance) P-C4' energy: -31.207
flat angles C4'-P-C4' energy: -37.579
flat angles P-C4'-P energy: -23.196
tors. eta vs tors. theta energy: -42.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -467.961410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.961410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.961410 (E_RNA)
where:
Base-Base interactions energy: -309.718
where: short stacking energy: -144.901
Base-Backbone interact. energy: -1.627
local terms energy: -156.616309
where:
bonds (distance) C4'-P energy: -30.781
bonds (distance) P-C4' energy: -33.017
flat angles C4'-P-C4' energy: -29.321
flat angles P-C4'-P energy: -18.833
tors. eta vs tors. theta energy: -44.664
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: 7
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -438.707276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.707276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.707276 (E_RNA)
where:
Base-Base interactions energy: -300.182
where: short stacking energy: -117.707
Base-Backbone interact. energy: -0.371
local terms energy: -138.154267
where:
bonds (distance) C4'-P energy: -32.081
bonds (distance) P-C4' energy: -34.255
flat angles C4'-P-C4' energy: -27.596
flat angles P-C4'-P energy: -15.364
tors. eta vs tors. theta energy: -28.858
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: 212
Temperature: 1.150000
Total energy: -349.765044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.765044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.765044 (E_RNA)
where:
Base-Base interactions energy: -213.598
where: short stacking energy: -109.207
Base-Backbone interact. energy: -0.123
local terms energy: -136.044160
where:
bonds (distance) C4'-P energy: -29.945
bonds (distance) P-C4' energy: -29.691
flat angles C4'-P-C4' energy: -30.565
flat angles P-C4'-P energy: -17.644
tors. eta vs tors. theta energy: -28.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -424.581871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.581871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.581871 (E_RNA)
where:
Base-Base interactions energy: -278.804
where: short stacking energy: -128.132
Base-Backbone interact. energy: -0.450
local terms energy: -145.327605
where:
bonds (distance) C4'-P energy: -29.831
bonds (distance) P-C4' energy: -28.078
flat angles C4'-P-C4' energy: -31.631
flat angles P-C4'-P energy: -21.641
tors. eta vs tors. theta energy: -34.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -312.352612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.352612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.352612 (E_RNA)
where:
Base-Base interactions energy: -185.335
where: short stacking energy: -78.740
Base-Backbone interact. energy: -0.979
local terms energy: -126.038073
where:
bonds (distance) C4'-P energy: -32.627
bonds (distance) P-C4' energy: -33.172
flat angles C4'-P-C4' energy: -27.844
flat angles P-C4'-P energy: -15.805
tors. eta vs tors. theta energy: -16.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -201.286444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.286444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.286444 (E_RNA)
where:
Base-Base interactions energy: -101.977
where: short stacking energy: -62.432
Base-Backbone interact. energy: 0.853
local terms energy: -100.162602
where:
bonds (distance) C4'-P energy: -30.575
bonds (distance) P-C4' energy: -30.555
flat angles C4'-P-C4' energy: -26.911
flat angles P-C4'-P energy: -14.061
tors. eta vs tors. theta energy: 1.940
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: 212
Temperature: 1.350000
Total energy: -198.440858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.440858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.440858 (E_RNA)
where:
Base-Base interactions energy: -99.025
where: short stacking energy: -64.430
Base-Backbone interact. energy: -0.369
local terms energy: -99.047084
where:
bonds (distance) C4'-P energy: -23.366
bonds (distance) P-C4' energy: -29.884
flat angles C4'-P-C4' energy: -19.273
flat angles P-C4'-P energy: -13.937
tors. eta vs tors. theta energy: -12.587
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: 2
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -532.499133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.499133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.499133 (E_RNA)
where:
Base-Base interactions energy: -358.401
where: short stacking energy: -160.514
Base-Backbone interact. energy: -0.602
local terms energy: -173.497029
where:
bonds (distance) C4'-P energy: -31.228
bonds (distance) P-C4' energy: -38.030
flat angles C4'-P-C4' energy: -35.757
flat angles P-C4'-P energy: -23.520
tors. eta vs tors. theta energy: -44.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -549.563617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.563617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.563617 (E_RNA)
where:
Base-Base interactions energy: -380.042
where: short stacking energy: -166.628
Base-Backbone interact. energy: -1.164
local terms energy: -168.356880
where:
bonds (distance) C4'-P energy: -31.663
bonds (distance) P-C4' energy: -27.095
flat angles C4'-P-C4' energy: -35.475
flat angles P-C4'-P energy: -26.216
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: 3, replica: 10
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -497.150719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.150719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.150719 (E_RNA)
where:
Base-Base interactions energy: -348.695
where: short stacking energy: -148.839
Base-Backbone interact. energy: -0.779
local terms energy: -147.676069
where:
bonds (distance) C4'-P energy: -28.988
bonds (distance) P-C4' energy: -35.384
flat angles C4'-P-C4' energy: -26.534
flat angles P-C4'-P energy: -16.704
tors. eta vs tors. theta energy: -40.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -456.835767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.835767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.835767 (E_RNA)
where:
Base-Base interactions energy: -306.351
where: short stacking energy: -142.447
Base-Backbone interact. energy: -1.830
local terms energy: -148.654015
where:
bonds (distance) C4'-P energy: -25.535
bonds (distance) P-C4' energy: -29.547
flat angles C4'-P-C4' energy: -33.916
flat angles P-C4'-P energy: -17.984
tors. eta vs tors. theta energy: -41.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -435.785483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.785483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.785483 (E_RNA)
where:
Base-Base interactions energy: -277.276
where: short stacking energy: -140.447
Base-Backbone interact. energy: -0.059
local terms energy: -158.450526
where:
bonds (distance) C4'-P energy: -33.696
bonds (distance) P-C4' energy: -32.976
flat angles C4'-P-C4' energy: -27.300
flat angles P-C4'-P energy: -26.707
tors. eta vs tors. theta energy: -37.771
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: 5
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -414.178335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.178335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.178335 (E_RNA)
where:
Base-Base interactions energy: -273.337
where: short stacking energy: -127.891
Base-Backbone interact. energy: -0.741
local terms energy: -140.099826
where:
bonds (distance) C4'-P energy: -29.436
bonds (distance) P-C4' energy: -27.513
flat angles C4'-P-C4' energy: -32.873
flat angles P-C4'-P energy: -17.971
tors. eta vs tors. theta energy: -32.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -332.691478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.691478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.691478 (E_RNA)
where:
Base-Base interactions energy: -203.275
where: short stacking energy: -96.752
Base-Backbone interact. energy: -1.974
local terms energy: -127.441934
where:
bonds (distance) C4'-P energy: -29.044
bonds (distance) P-C4' energy: -31.857
flat angles C4'-P-C4' energy: -23.894
flat angles P-C4'-P energy: -21.913
tors. eta vs tors. theta energy: -20.734
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: 8
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -302.109758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.109758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.109758 (E_RNA)
where:
Base-Base interactions energy: -188.641
where: short stacking energy: -79.957
Base-Backbone interact. energy: -0.550
local terms energy: -112.918707
where:
bonds (distance) C4'-P energy: -22.082
bonds (distance) P-C4' energy: -26.158
flat angles C4'-P-C4' energy: -27.601
flat angles P-C4'-P energy: -17.492
tors. eta vs tors. theta energy: -19.586
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: 4
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -208.184948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.184948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.184948 (E_RNA)
where:
Base-Base interactions energy: -104.794
where: short stacking energy: -64.073
Base-Backbone interact. energy: -0.492
local terms energy: -102.899419
where:
bonds (distance) C4'-P energy: -30.354
bonds (distance) P-C4' energy: -25.558
flat angles C4'-P-C4' energy: -19.631
flat angles P-C4'-P energy: -19.046
tors. eta vs tors. theta energy: -8.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -161.287009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.287009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.287009 (E_RNA)
where:
Base-Base interactions energy: -78.027
where: short stacking energy: -66.282
Base-Backbone interact. energy: -0.719
local terms energy: -82.540952
where:
bonds (distance) C4'-P energy: -29.654
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -20.727
flat angles P-C4'-P energy: -13.001
tors. eta vs tors. theta energy: -1.002
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: 1, replica: 6
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -556.485008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.485008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.485008 (E_RNA)
where:
Base-Base interactions energy: -377.853
where: short stacking energy: -176.466
Base-Backbone interact. energy: -0.090
local terms energy: -178.542008
where:
bonds (distance) C4'-P energy: -32.929
bonds (distance) P-C4' energy: -32.079
flat angles C4'-P-C4' energy: -35.529
flat angles P-C4'-P energy: -28.149
tors. eta vs tors. theta energy: -49.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -524.095332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.095332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.095332 (E_RNA)
where:
Base-Base interactions energy: -350.018
where: short stacking energy: -158.601
Base-Backbone interact. energy: -1.071
local terms energy: -173.006028
where:
bonds (distance) C4'-P energy: -33.266
bonds (distance) P-C4' energy: -35.718
flat angles C4'-P-C4' energy: -32.652
flat angles P-C4'-P energy: -25.222
tors. eta vs tors. theta energy: -46.149
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: 214
Temperature: 1.000000
Total energy: -473.311368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.311368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.311368 (E_RNA)
where:
Base-Base interactions energy: -322.681
where: short stacking energy: -143.608
Base-Backbone interact. energy: -0.657
local terms energy: -149.973148
where:
bonds (distance) C4'-P energy: -27.903
bonds (distance) P-C4' energy: -34.941
flat angles C4'-P-C4' energy: -28.609
flat angles P-C4'-P energy: -23.083
tors. eta vs tors. theta energy: -35.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -438.426276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.426276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.426276 (E_RNA)
where:
Base-Base interactions energy: -300.718
where: short stacking energy: -122.923
Base-Backbone interact. energy: -0.382
local terms energy: -137.326129
where:
bonds (distance) C4'-P energy: -25.051
bonds (distance) P-C4' energy: -29.193
flat angles C4'-P-C4' energy: -35.861
flat angles P-C4'-P energy: -19.446
tors. eta vs tors. theta energy: -27.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -422.884645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.884645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.884645 (E_RNA)
where:
Base-Base interactions energy: -293.403
where: short stacking energy: -124.223
Base-Backbone interact. energy: -0.659
local terms energy: -128.822996
where:
bonds (distance) C4'-P energy: -28.038
bonds (distance) P-C4' energy: -25.556
flat angles C4'-P-C4' energy: -29.424
flat angles P-C4'-P energy: -18.446
tors. eta vs tors. theta energy: -27.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -420.547427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.547427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.547427 (E_RNA)
where:
Base-Base interactions energy: -290.799
where: short stacking energy: -124.250
Base-Backbone interact. energy: -1.068
local terms energy: -128.680736
where:
bonds (distance) C4'-P energy: -29.701
bonds (distance) P-C4' energy: -26.393
flat angles C4'-P-C4' energy: -21.432
flat angles P-C4'-P energy: -17.138
tors. eta vs tors. theta energy: -34.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -335.430226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.430226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.430226 (E_RNA)
where:
Base-Base interactions energy: -202.215
where: short stacking energy: -101.397
Base-Backbone interact. energy: -1.588
local terms energy: -131.626997
where:
bonds (distance) C4'-P energy: -25.623
bonds (distance) P-C4' energy: -34.781
flat angles C4'-P-C4' energy: -31.218
flat angles P-C4'-P energy: -17.726
tors. eta vs tors. theta energy: -22.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -288.974891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.974891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.974891 (E_RNA)
where:
Base-Base interactions energy: -185.094
where: short stacking energy: -85.517
Base-Backbone interact. energy: 0.572
local terms energy: -104.452822
where:
bonds (distance) C4'-P energy: -24.861
bonds (distance) P-C4' energy: -26.690
flat angles C4'-P-C4' energy: -23.950
flat angles P-C4'-P energy: -19.479
tors. eta vs tors. theta energy: -9.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -156.744844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.744844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.744844 (E_RNA)
where:
Base-Base interactions energy: -64.745
where: short stacking energy: -51.099
Base-Backbone interact. energy: -0.522
local terms energy: -91.477802
where:
bonds (distance) C4'-P energy: -28.806
bonds (distance) P-C4' energy: -23.601
flat angles C4'-P-C4' energy: -31.292
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: 4.644
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: 4
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -155.188884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.188884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.188884 (E_RNA)
where:
Base-Base interactions energy: -58.440
where: short stacking energy: -37.634
Base-Backbone interact. energy: 0.871
local terms energy: -97.619305
where:
bonds (distance) C4'-P energy: -21.774
bonds (distance) P-C4' energy: -28.116
flat angles C4'-P-C4' energy: -29.613
flat angles P-C4'-P energy: -17.126
tors. eta vs tors. theta energy: -0.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -556.699877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.699877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.699877 (E_RNA)
where:
Base-Base interactions energy: -389.495
where: short stacking energy: -175.120
Base-Backbone interact. energy: 1.767
local terms energy: -168.971615
where:
bonds (distance) C4'-P energy: -35.597
bonds (distance) P-C4' energy: -26.902
flat angles C4'-P-C4' energy: -36.352
flat angles P-C4'-P energy: -22.888
tors. eta vs tors. theta energy: -47.233
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: 2
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -528.006740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.006740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.006740 (E_RNA)
where:
Base-Base interactions energy: -362.800
where: short stacking energy: -161.601
Base-Backbone interact. energy: -0.327
local terms energy: -164.879875
where:
bonds (distance) C4'-P energy: -34.780
bonds (distance) P-C4' energy: -27.973
flat angles C4'-P-C4' energy: -25.562
flat angles P-C4'-P energy: -29.673
tors. eta vs tors. theta energy: -46.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -471.987503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.987503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.987503 (E_RNA)
where:
Base-Base interactions energy: -329.889
where: short stacking energy: -137.550
Base-Backbone interact. energy: -1.450
local terms energy: -140.648382
where:
bonds (distance) C4'-P energy: -25.147
bonds (distance) P-C4' energy: -31.800
flat angles C4'-P-C4' energy: -32.514
flat angles P-C4'-P energy: -16.638
tors. eta vs tors. theta energy: -34.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -435.891916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.891916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.891916 (E_RNA)
where:
Base-Base interactions energy: -290.238
where: short stacking energy: -131.161
Base-Backbone interact. energy: -2.239
local terms energy: -143.413977
where:
bonds (distance) C4'-P energy: -22.749
bonds (distance) P-C4' energy: -33.089
flat angles C4'-P-C4' energy: -32.324
flat angles P-C4'-P energy: -25.335
tors. eta vs tors. theta energy: -29.917
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: 1
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -436.246550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.246550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.246550 (E_RNA)
where:
Base-Base interactions energy: -304.572
where: short stacking energy: -135.071
Base-Backbone interact. energy: -0.281
local terms energy: -131.392747
where:
bonds (distance) C4'-P energy: -30.014
bonds (distance) P-C4' energy: -31.479
flat angles C4'-P-C4' energy: -24.243
flat angles P-C4'-P energy: -16.805
tors. eta vs tors. theta energy: -28.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -417.695439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.695439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.695439 (E_RNA)
where:
Base-Base interactions energy: -284.169
where: short stacking energy: -115.800
Base-Backbone interact. energy: -1.439
local terms energy: -132.087858
where:
bonds (distance) C4'-P energy: -27.094
bonds (distance) P-C4' energy: -32.909
flat angles C4'-P-C4' energy: -23.339
flat angles P-C4'-P energy: -19.107
tors. eta vs tors. theta energy: -29.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -311.314793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.314793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.314793 (E_RNA)
where:
Base-Base interactions energy: -197.154
where: short stacking energy: -99.105
Base-Backbone interact. energy: -0.668
local terms energy: -113.492715
where:
bonds (distance) C4'-P energy: -22.383
bonds (distance) P-C4' energy: -27.529
flat angles C4'-P-C4' energy: -29.859
flat angles P-C4'-P energy: -15.400
tors. eta vs tors. theta energy: -18.322
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: 8
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -331.153935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.153935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.153935 (E_RNA)
where:
Base-Base interactions energy: -203.477
where: short stacking energy: -118.618
Base-Backbone interact. energy: 0.899
local terms energy: -128.576216
where:
bonds (distance) C4'-P energy: -27.519
bonds (distance) P-C4' energy: -27.393
flat angles C4'-P-C4' energy: -25.057
flat angles P-C4'-P energy: -23.163
tors. eta vs tors. theta energy: -25.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -160.470142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.470142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.470142 (E_RNA)
where:
Base-Base interactions energy: -56.410
where: short stacking energy: -32.689
Base-Backbone interact. energy: -2.056
local terms energy: -102.004519
where:
bonds (distance) C4'-P energy: -30.346
bonds (distance) P-C4' energy: -36.496
flat angles C4'-P-C4' energy: -21.155
flat angles P-C4'-P energy: -20.132
tors. eta vs tors. theta energy: 6.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -181.749990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.749990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.749990 (E_RNA)
where:
Base-Base interactions energy: -86.063
where: short stacking energy: -57.131
Base-Backbone interact. energy: -0.271
local terms energy: -95.416090
where:
bonds (distance) C4'-P energy: -27.298
bonds (distance) P-C4' energy: -27.131
flat angles C4'-P-C4' energy: -25.558
flat angles P-C4'-P energy: -12.810
tors. eta vs tors. theta energy: -2.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -554.652668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.652668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.652668 (E_RNA)
where:
Base-Base interactions energy: -381.419
where: short stacking energy: -175.309
Base-Backbone interact. energy: -0.465
local terms energy: -172.768571
where:
bonds (distance) C4'-P energy: -30.337
bonds (distance) P-C4' energy: -31.972
flat angles C4'-P-C4' energy: -35.378
flat angles P-C4'-P energy: -24.572
tors. eta vs tors. theta energy: -50.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -523.012428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.012428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.012428 (E_RNA)
where:
Base-Base interactions energy: -358.572
where: short stacking energy: -159.006
Base-Backbone interact. energy: -1.634
local terms energy: -162.806527
where:
bonds (distance) C4'-P energy: -34.382
bonds (distance) P-C4' energy: -28.829
flat angles C4'-P-C4' energy: -36.794
flat angles P-C4'-P energy: -22.234
tors. eta vs tors. theta energy: -40.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -478.746916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.746916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.746916 (E_RNA)
where:
Base-Base interactions energy: -311.323
where: short stacking energy: -142.099
Base-Backbone interact. energy: -0.003
local terms energy: -167.420301
where:
bonds (distance) C4'-P energy: -32.554
bonds (distance) P-C4' energy: -34.431
flat angles C4'-P-C4' energy: -35.990
flat angles P-C4'-P energy: -21.366
tors. eta vs tors. theta energy: -43.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -450.320417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.320417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.320417 (E_RNA)
where:
Base-Base interactions energy: -301.561
where: short stacking energy: -129.764
Base-Backbone interact. energy: -1.665
local terms energy: -147.094544
where:
bonds (distance) C4'-P energy: -30.413
bonds (distance) P-C4' energy: -27.966
flat angles C4'-P-C4' energy: -31.377
flat angles P-C4'-P energy: -18.372
tors. eta vs tors. theta energy: -38.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -431.150772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.150772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.150772 (E_RNA)
where:
Base-Base interactions energy: -286.023
where: short stacking energy: -120.717
Base-Backbone interact. energy: -0.074
local terms energy: -145.052929
where:
bonds (distance) C4'-P energy: -29.857
bonds (distance) P-C4' energy: -34.837
flat angles C4'-P-C4' energy: -29.541
flat angles P-C4'-P energy: -17.070
tors. eta vs tors. theta energy: -33.748
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: 7
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -419.540371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.540371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.540371 (E_RNA)
where:
Base-Base interactions energy: -275.224
where: short stacking energy: -105.685
Base-Backbone interact. energy: -0.743
local terms energy: -143.573036
where:
bonds (distance) C4'-P energy: -30.939
bonds (distance) P-C4' energy: -39.175
flat angles C4'-P-C4' energy: -29.071
flat angles P-C4'-P energy: -20.068
tors. eta vs tors. theta energy: -24.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -348.030232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.030232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.030232 (E_RNA)
where:
Base-Base interactions energy: -219.317
where: short stacking energy: -100.723
Base-Backbone interact. energy: -1.166
local terms energy: -127.547075
where:
bonds (distance) C4'-P energy: -31.558
bonds (distance) P-C4' energy: -28.921
flat angles C4'-P-C4' energy: -33.558
flat angles P-C4'-P energy: -18.639
tors. eta vs tors. theta energy: -14.871
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: 3
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -323.135485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.135485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.135485 (E_RNA)
where:
Base-Base interactions energy: -192.131
where: short stacking energy: -108.548
Base-Backbone interact. energy: -0.022
local terms energy: -130.981622
where:
bonds (distance) C4'-P energy: -27.985
bonds (distance) P-C4' energy: -25.664
flat angles C4'-P-C4' energy: -30.357
flat angles P-C4'-P energy: -18.067
tors. eta vs tors. theta energy: -28.909
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: 4
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -223.894278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.894278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.894278 (E_RNA)
where:
Base-Base interactions energy: -110.147
where: short stacking energy: -63.804
Base-Backbone interact. energy: -0.867
local terms energy: -112.880910
where:
bonds (distance) C4'-P energy: -31.481
bonds (distance) P-C4' energy: -26.873
flat angles C4'-P-C4' energy: -29.188
flat angles P-C4'-P energy: -14.874
tors. eta vs tors. theta energy: -10.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -157.424145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.424145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.424145 (E_RNA)
where:
Base-Base interactions energy: -58.158
where: short stacking energy: -49.318
Base-Backbone interact. energy: -0.823
local terms energy: -98.443126
where:
bonds (distance) C4'-P energy: -25.336
bonds (distance) P-C4' energy: -31.638
flat angles C4'-P-C4' energy: -24.680
flat angles P-C4'-P energy: -11.375
tors. eta vs tors. theta energy: -5.415
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: 6
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -550.380980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.380980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.380980 (E_RNA)
where:
Base-Base interactions energy: -378.385
where: short stacking energy: -173.524
Base-Backbone interact. energy: -0.131
local terms energy: -171.865685
where:
bonds (distance) C4'-P energy: -31.021
bonds (distance) P-C4' energy: -31.498
flat angles C4'-P-C4' energy: -37.119
flat angles P-C4'-P energy: -25.006
tors. eta vs tors. theta energy: -47.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -516.762035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.762035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.762035 (E_RNA)
where:
Base-Base interactions energy: -350.265
where: short stacking energy: -158.595
Base-Backbone interact. energy: -0.527
local terms energy: -165.970630
where:
bonds (distance) C4'-P energy: -28.227
bonds (distance) P-C4' energy: -32.474
flat angles C4'-P-C4' energy: -39.477
flat angles P-C4'-P energy: -22.384
tors. eta vs tors. theta energy: -43.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -493.630189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.630189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.630189 (E_RNA)
where:
Base-Base interactions energy: -336.246
where: short stacking energy: -157.263
Base-Backbone interact. energy: -0.157
local terms energy: -157.227507
where:
bonds (distance) C4'-P energy: -27.165
bonds (distance) P-C4' energy: -31.566
flat angles C4'-P-C4' energy: -33.178
flat angles P-C4'-P energy: -23.510
tors. eta vs tors. theta energy: -41.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -469.250987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.250987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.250987 (E_RNA)
where:
Base-Base interactions energy: -303.959
where: short stacking energy: -152.460
Base-Backbone interact. energy: -1.365
local terms energy: -163.926620
where:
bonds (distance) C4'-P energy: -32.213
bonds (distance) P-C4' energy: -28.058
flat angles C4'-P-C4' energy: -38.043
flat angles P-C4'-P energy: -25.469
tors. eta vs tors. theta energy: -40.144
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: 5
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -444.875314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.875314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.875314 (E_RNA)
where:
Base-Base interactions energy: -280.192
where: short stacking energy: -128.033
Base-Backbone interact. energy: -0.188
local terms energy: -164.495286
where:
bonds (distance) C4'-P energy: -30.366
bonds (distance) P-C4' energy: -34.865
flat angles C4'-P-C4' energy: -37.390
flat angles P-C4'-P energy: -24.782
tors. eta vs tors. theta energy: -37.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -430.398381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.398381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.398381 (E_RNA)
where:
Base-Base interactions energy: -286.716
where: short stacking energy: -132.410
Base-Backbone interact. energy: -0.312
local terms energy: -143.370627
where:
bonds (distance) C4'-P energy: -30.175
bonds (distance) P-C4' energy: -25.804
flat angles C4'-P-C4' energy: -34.540
flat angles P-C4'-P energy: -13.545
tors. eta vs tors. theta energy: -39.307
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: 8
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -328.751080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.751080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.751080 (E_RNA)
where:
Base-Base interactions energy: -199.338
where: short stacking energy: -96.838
Base-Backbone interact. energy: -0.661
local terms energy: -128.751580
where:
bonds (distance) C4'-P energy: -23.043
bonds (distance) P-C4' energy: -32.695
flat angles C4'-P-C4' energy: -30.978
flat angles P-C4'-P energy: -18.817
tors. eta vs tors. theta energy: -23.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -337.846323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.846323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.846323 (E_RNA)
where:
Base-Base interactions energy: -207.650
where: short stacking energy: -97.986
Base-Backbone interact. energy: -0.957
local terms energy: -129.239057
where:
bonds (distance) C4'-P energy: -23.984
bonds (distance) P-C4' energy: -28.950
flat angles C4'-P-C4' energy: -32.385
flat angles P-C4'-P energy: -21.547
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: 9, replica: 4
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -168.941683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.941683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.941683 (E_RNA)
where:
Base-Base interactions energy: -76.645
where: short stacking energy: -61.303
Base-Backbone interact. energy: 0.484
local terms energy: -92.780855
where:
bonds (distance) C4'-P energy: -29.688
bonds (distance) P-C4' energy: -30.600
flat angles C4'-P-C4' energy: -17.430
flat angles P-C4'-P energy: -19.003
tors. eta vs tors. theta energy: 3.941
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: 10, replica: 9
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -149.917621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.917621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.917621 (E_RNA)
where:
Base-Base interactions energy: -49.194
where: short stacking energy: -39.548
Base-Backbone interact. energy: -1.311
local terms energy: -99.413127
where:
bonds (distance) C4'-P energy: -25.099
bonds (distance) P-C4' energy: -30.013
flat angles C4'-P-C4' energy: -25.806
flat angles P-C4'-P energy: -20.498
tors. eta vs tors. theta energy: 2.003
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: 1, replica: 6
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -557.479694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.479694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.479694 (E_RNA)
where:
Base-Base interactions energy: -384.060
where: short stacking energy: -172.424
Base-Backbone interact. energy: -0.312
local terms energy: -173.107415
where:
bonds (distance) C4'-P energy: -26.260
bonds (distance) P-C4' energy: -36.843
flat angles C4'-P-C4' energy: -34.850
flat angles P-C4'-P energy: -25.159
tors. eta vs tors. theta energy: -49.995
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: 2
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -501.797566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.797566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.797566 (E_RNA)
where:
Base-Base interactions energy: -339.065
where: short stacking energy: -150.504
Base-Backbone interact. energy: -1.105
local terms energy: -161.627428
where:
bonds (distance) C4'-P energy: -31.370
bonds (distance) P-C4' energy: -31.359
flat angles C4'-P-C4' energy: -32.508
flat angles P-C4'-P energy: -25.233
tors. eta vs tors. theta energy: -41.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -463.758915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.758915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.758915 (E_RNA)
where:
Base-Base interactions energy: -312.636
where: short stacking energy: -148.764
Base-Backbone interact. energy: 0.882
local terms energy: -152.004924
where:
bonds (distance) C4'-P energy: -28.646
bonds (distance) P-C4' energy: -33.386
flat angles C4'-P-C4' energy: -30.872
flat angles P-C4'-P energy: -18.384
tors. eta vs tors. theta energy: -40.717
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: 10
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -482.448593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.448593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.448593 (E_RNA)
where:
Base-Base interactions energy: -327.352
where: short stacking energy: -149.922
Base-Backbone interact. energy: -0.671
local terms energy: -154.425438
where:
bonds (distance) C4'-P energy: -27.217
bonds (distance) P-C4' energy: -29.480
flat angles C4'-P-C4' energy: -33.933
flat angles P-C4'-P energy: -21.847
tors. eta vs tors. theta energy: -41.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -435.811895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.811895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.811895 (E_RNA)
where:
Base-Base interactions energy: -285.266
where: short stacking energy: -124.655
Base-Backbone interact. energy: -0.423
local terms energy: -150.123461
where:
bonds (distance) C4'-P energy: -29.630
bonds (distance) P-C4' energy: -30.873
flat angles C4'-P-C4' energy: -28.261
flat angles P-C4'-P energy: -20.983
tors. eta vs tors. theta energy: -40.377
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: 7
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -431.911743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.911743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.911743 (E_RNA)
where:
Base-Base interactions energy: -278.220
where: short stacking energy: -118.014
Base-Backbone interact. energy: -0.505
local terms energy: -153.186621
where:
bonds (distance) C4'-P energy: -31.377
bonds (distance) P-C4' energy: -30.380
flat angles C4'-P-C4' energy: -30.347
flat angles P-C4'-P energy: -24.418
tors. eta vs tors. theta energy: -36.666
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: 3
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -351.360373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.360373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.360373 (E_RNA)
where:
Base-Base interactions energy: -216.376
where: short stacking energy: -95.443
Base-Backbone interact. energy: -0.524
local terms energy: -134.460099
where:
bonds (distance) C4'-P energy: -27.937
bonds (distance) P-C4' energy: -29.975
flat angles C4'-P-C4' energy: -35.996
flat angles P-C4'-P energy: -18.215
tors. eta vs tors. theta energy: -22.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -329.465424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.465424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.465424 (E_RNA)
where:
Base-Base interactions energy: -231.138
where: short stacking energy: -98.144
Base-Backbone interact. energy: -1.273
local terms energy: -97.054516
where:
bonds (distance) C4'-P energy: -24.885
bonds (distance) P-C4' energy: -19.300
flat angles C4'-P-C4' energy: -23.976
flat angles P-C4'-P energy: -15.093
tors. eta vs tors. theta energy: -13.801
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: 4
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -157.798624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.798624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.798624 (E_RNA)
where:
Base-Base interactions energy: -67.192
where: short stacking energy: -66.487
Base-Backbone interact. energy: -0.266
local terms energy: -90.340957
where:
bonds (distance) C4'-P energy: -23.636
bonds (distance) P-C4' energy: -32.576
flat angles C4'-P-C4' energy: -17.816
flat angles P-C4'-P energy: -13.102
tors. eta vs tors. theta energy: -3.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -154.786792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.786792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.786792 (E_RNA)
where:
Base-Base interactions energy: -61.791
where: short stacking energy: -53.431
Base-Backbone interact. energy: -1.304
local terms energy: -91.691780
where:
bonds (distance) C4'-P energy: -25.510
bonds (distance) P-C4' energy: -34.036
flat angles C4'-P-C4' energy: -27.840
flat angles P-C4'-P energy: -8.363
tors. eta vs tors. theta energy: 4.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -552.208758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.208758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.208758 (E_RNA)
where:
Base-Base interactions energy: -380.186
where: short stacking energy: -167.729
Base-Backbone interact. energy: -0.294
local terms energy: -171.728653
where:
bonds (distance) C4'-P energy: -28.210
bonds (distance) P-C4' energy: -37.476
flat angles C4'-P-C4' energy: -32.346
flat angles P-C4'-P energy: -28.184
tors. eta vs tors. theta energy: -45.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -505.225253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.225253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.225253 (E_RNA)
where:
Base-Base interactions energy: -353.112
where: short stacking energy: -152.745
Base-Backbone interact. energy: -0.022
local terms energy: -152.091319
where:
bonds (distance) C4'-P energy: -31.155
bonds (distance) P-C4' energy: -24.715
flat angles C4'-P-C4' energy: -30.392
flat angles P-C4'-P energy: -24.867
tors. eta vs tors. theta energy: -40.962
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: 1
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -473.477505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.477505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.477505 (E_RNA)
where:
Base-Base interactions energy: -321.974
where: short stacking energy: -149.661
Base-Backbone interact. energy: 0.894
local terms energy: -152.397677
where:
bonds (distance) C4'-P energy: -32.230
bonds (distance) P-C4' energy: -26.892
flat angles C4'-P-C4' energy: -29.717
flat angles P-C4'-P energy: -24.082
tors. eta vs tors. theta energy: -39.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -477.173311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.173311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.173311 (E_RNA)
where:
Base-Base interactions energy: -323.624
where: short stacking energy: -139.651
Base-Backbone interact. energy: -0.409
local terms energy: -153.139911
where:
bonds (distance) C4'-P energy: -29.742
bonds (distance) P-C4' energy: -29.017
flat angles C4'-P-C4' energy: -34.454
flat angles P-C4'-P energy: -19.026
tors. eta vs tors. theta energy: -40.902
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: 5, replica: 5
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -428.952554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.952554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.952554 (E_RNA)
where:
Base-Base interactions energy: -283.701
where: short stacking energy: -133.380
Base-Backbone interact. energy: -0.884
local terms energy: -144.367838
where:
bonds (distance) C4'-P energy: -27.134
bonds (distance) P-C4' energy: -32.799
flat angles C4'-P-C4' energy: -27.941
flat angles P-C4'-P energy: -16.854
tors. eta vs tors. theta energy: -39.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -435.950662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.950662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.950662 (E_RNA)
where:
Base-Base interactions energy: -306.585
where: short stacking energy: -116.677
Base-Backbone interact. energy: -0.658
local terms energy: -128.707498
where:
bonds (distance) C4'-P energy: -27.048
bonds (distance) P-C4' energy: -22.640
flat angles C4'-P-C4' energy: -32.225
flat angles P-C4'-P energy: -21.532
tors. eta vs tors. theta energy: -25.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -348.725488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.725488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.725488 (E_RNA)
where:
Base-Base interactions energy: -231.684
where: short stacking energy: -102.448
Base-Backbone interact. energy: -0.192
local terms energy: -116.849896
where:
bonds (distance) C4'-P energy: -19.443
bonds (distance) P-C4' energy: -28.443
flat angles C4'-P-C4' energy: -32.027
flat angles P-C4'-P energy: -15.262
tors. eta vs tors. theta energy: -21.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -341.713507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.713507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.713507 (E_RNA)
where:
Base-Base interactions energy: -218.301
where: short stacking energy: -111.608
Base-Backbone interact. energy: 0.851
local terms energy: -124.263587
where:
bonds (distance) C4'-P energy: -27.848
bonds (distance) P-C4' energy: -27.576
flat angles C4'-P-C4' energy: -26.900
flat angles P-C4'-P energy: -15.166
tors. eta vs tors. theta energy: -26.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -173.106192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.106192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.106192 (E_RNA)
where:
Base-Base interactions energy: -75.125
where: short stacking energy: -56.414
Base-Backbone interact. energy: -0.875
local terms energy: -97.105786
where:
bonds (distance) C4'-P energy: -18.316
bonds (distance) P-C4' energy: -28.348
flat angles C4'-P-C4' energy: -29.875
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -9.782
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: 219
Temperature: 1.350000
Total energy: -157.375188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.375188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.375188 (E_RNA)
where:
Base-Base interactions energy: -67.852
where: short stacking energy: -61.071
Base-Backbone interact. energy: -0.581
local terms energy: -88.941914
where:
bonds (distance) C4'-P energy: -25.623
bonds (distance) P-C4' energy: -32.911
flat angles C4'-P-C4' energy: -18.715
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -1.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -554.077860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.077860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.077860 (E_RNA)
where:
Base-Base interactions energy: -379.352
where: short stacking energy: -174.526
Base-Backbone interact. energy: -0.027
local terms energy: -174.698553
where:
bonds (distance) C4'-P energy: -31.765
bonds (distance) P-C4' energy: -31.253
flat angles C4'-P-C4' energy: -36.997
flat angles P-C4'-P energy: -20.327
tors. eta vs tors. theta energy: -54.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -517.561206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.561206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.561206 (E_RNA)
where:
Base-Base interactions energy: -346.199
where: short stacking energy: -159.994
Base-Backbone interact. energy: -1.423
local terms energy: -169.939369
where:
bonds (distance) C4'-P energy: -34.626
bonds (distance) P-C4' energy: -29.052
flat angles C4'-P-C4' energy: -35.231
flat angles P-C4'-P energy: -20.408
tors. eta vs tors. theta energy: -50.622
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: 10
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -479.465088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.465088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.465088 (E_RNA)
where:
Base-Base interactions energy: -323.465
where: short stacking energy: -139.847
Base-Backbone interact. energy: -0.432
local terms energy: -155.568246
where:
bonds (distance) C4'-P energy: -33.064
bonds (distance) P-C4' energy: -30.448
flat angles C4'-P-C4' energy: -31.753
flat angles P-C4'-P energy: -19.151
tors. eta vs tors. theta energy: -41.153
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: 1
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -462.985625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.985625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.985625 (E_RNA)
where:
Base-Base interactions energy: -303.525
where: short stacking energy: -145.006
Base-Backbone interact. energy: -0.464
local terms energy: -158.996250
where:
bonds (distance) C4'-P energy: -26.135
bonds (distance) P-C4' energy: -32.296
flat angles C4'-P-C4' energy: -30.115
flat angles P-C4'-P energy: -21.675
tors. eta vs tors. theta energy: -48.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -444.960742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.960742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.960742 (E_RNA)
where:
Base-Base interactions energy: -291.828
where: short stacking energy: -136.615
Base-Backbone interact. energy: 0.428
local terms energy: -153.560605
where:
bonds (distance) C4'-P energy: -29.531
bonds (distance) P-C4' energy: -30.746
flat angles C4'-P-C4' energy: -33.432
flat angles P-C4'-P energy: -23.024
tors. eta vs tors. theta energy: -36.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -403.588247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.588247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.588247 (E_RNA)
where:
Base-Base interactions energy: -254.680
where: short stacking energy: -119.330
Base-Backbone interact. energy: -0.088
local terms energy: -148.820012
where:
bonds (distance) C4'-P energy: -32.047
bonds (distance) P-C4' energy: -29.486
flat angles C4'-P-C4' energy: -30.547
flat angles P-C4'-P energy: -20.942
tors. eta vs tors. theta energy: -35.799
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: 7, replica: 3
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -347.278213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.278213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.278213 (E_RNA)
where:
Base-Base interactions energy: -222.391
where: short stacking energy: -114.720
Base-Backbone interact. energy: -0.111
local terms energy: -124.776473
where:
bonds (distance) C4'-P energy: -20.384
bonds (distance) P-C4' energy: -30.983
flat angles C4'-P-C4' energy: -27.607
flat angles P-C4'-P energy: -15.418
tors. eta vs tors. theta energy: -30.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -287.092201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.092201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.092201 (E_RNA)
where:
Base-Base interactions energy: -173.307
where: short stacking energy: -89.874
Base-Backbone interact. energy: -0.924
local terms energy: -112.861511
where:
bonds (distance) C4'-P energy: -24.259
bonds (distance) P-C4' energy: -26.382
flat angles C4'-P-C4' energy: -32.240
flat angles P-C4'-P energy: -18.389
tors. eta vs tors. theta energy: -11.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -163.511976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.511976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.511976 (E_RNA)
where:
Base-Base interactions energy: -55.984
where: short stacking energy: -54.920
Base-Backbone interact. energy: 1.282
local terms energy: -108.810054
where:
bonds (distance) C4'-P energy: -21.165
bonds (distance) P-C4' energy: -31.445
flat angles C4'-P-C4' energy: -30.735
flat angles P-C4'-P energy: -21.729
tors. eta vs tors. theta energy: -3.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -162.498335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.498335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.498335 (E_RNA)
where:
Base-Base interactions energy: -60.164
where: short stacking energy: -47.963
Base-Backbone interact. energy: -0.201
local terms energy: -102.132909
where:
bonds (distance) C4'-P energy: -23.813
bonds (distance) P-C4' energy: -27.456
flat angles C4'-P-C4' energy: -33.179
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -7.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -545.516824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.516824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.516824 (E_RNA)
where:
Base-Base interactions energy: -369.550
where: short stacking energy: -163.267
Base-Backbone interact. energy: -0.194
local terms energy: -175.772929
where:
bonds (distance) C4'-P energy: -31.518
bonds (distance) P-C4' energy: -35.118
flat angles C4'-P-C4' energy: -34.888
flat angles P-C4'-P energy: -26.390
tors. eta vs tors. theta energy: -47.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -515.528931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.528931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.528931 (E_RNA)
where:
Base-Base interactions energy: -356.784
where: short stacking energy: -157.806
Base-Backbone interact. energy: -1.035
local terms energy: -157.710322
where:
bonds (distance) C4'-P energy: -32.334
bonds (distance) P-C4' energy: -29.735
flat angles C4'-P-C4' energy: -33.227
flat angles P-C4'-P energy: -20.632
tors. eta vs tors. theta energy: -41.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -470.693217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.693217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.693217 (E_RNA)
where:
Base-Base interactions energy: -318.075
where: short stacking energy: -147.891
Base-Backbone interact. energy: -1.564
local terms energy: -151.054086
where:
bonds (distance) C4'-P energy: -28.124
bonds (distance) P-C4' energy: -30.881
flat angles C4'-P-C4' energy: -35.035
flat angles P-C4'-P energy: -18.058
tors. eta vs tors. theta energy: -38.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -453.706598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.706598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.706598 (E_RNA)
where:
Base-Base interactions energy: -298.501
where: short stacking energy: -143.878
Base-Backbone interact. energy: -2.026
local terms energy: -153.179032
where:
bonds (distance) C4'-P energy: -32.402
bonds (distance) P-C4' energy: -31.657
flat angles C4'-P-C4' energy: -28.958
flat angles P-C4'-P energy: -24.000
tors. eta vs tors. theta energy: -36.162
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: 7
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -442.122110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.122110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.122110 (E_RNA)
where:
Base-Base interactions energy: -307.172
where: short stacking energy: -126.227
Base-Backbone interact. energy: -0.514
local terms energy: -134.436334
where:
bonds (distance) C4'-P energy: -18.903
bonds (distance) P-C4' energy: -31.482
flat angles C4'-P-C4' energy: -34.132
flat angles P-C4'-P energy: -21.617
tors. eta vs tors. theta energy: -28.303
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: 5
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -407.590044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.590044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.590044 (E_RNA)
where:
Base-Base interactions energy: -274.582
where: short stacking energy: -120.336
Base-Backbone interact. energy: -1.038
local terms energy: -131.969843
where:
bonds (distance) C4'-P energy: -24.477
bonds (distance) P-C4' energy: -27.370
flat angles C4'-P-C4' energy: -35.942
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -31.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -364.314586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.314586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.314586 (E_RNA)
where:
Base-Base interactions energy: -229.391
where: short stacking energy: -104.678
Base-Backbone interact. energy: 0.127
local terms energy: -135.050341
where:
bonds (distance) C4'-P energy: -29.072
bonds (distance) P-C4' energy: -30.233
flat angles C4'-P-C4' energy: -31.412
flat angles P-C4'-P energy: -13.841
tors. eta vs tors. theta energy: -30.492
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: 9
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -174.875885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.875885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.875885 (E_RNA)
where:
Base-Base interactions energy: -72.949
where: short stacking energy: -54.413
Base-Backbone interact. energy: -0.113
local terms energy: -101.813982
where:
bonds (distance) C4'-P energy: -33.984
bonds (distance) P-C4' energy: -26.925
flat angles C4'-P-C4' energy: -20.708
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -11.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -274.035637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.035637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.035637 (E_RNA)
where:
Base-Base interactions energy: -157.916
where: short stacking energy: -75.694
Base-Backbone interact. energy: -0.519
local terms energy: -115.600642
where:
bonds (distance) C4'-P energy: -26.969
bonds (distance) P-C4' energy: -32.645
flat angles C4'-P-C4' energy: -27.691
flat angles P-C4'-P energy: -16.600
tors. eta vs tors. theta energy: -11.694
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: 4
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -146.186899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.186899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.186899 (E_RNA)
where:
Base-Base interactions energy: -50.342
where: short stacking energy: -43.854
Base-Backbone interact. energy: -0.286
local terms energy: -95.558330
where:
bonds (distance) C4'-P energy: -25.137
bonds (distance) P-C4' energy: -32.107
flat angles C4'-P-C4' energy: -21.626
flat angles P-C4'-P energy: -13.661
tors. eta vs tors. theta energy: -3.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -537.811002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.811002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.811002 (E_RNA)
where:
Base-Base interactions energy: -371.087
where: short stacking energy: -169.570
Base-Backbone interact. energy: -0.252
local terms energy: -166.471769
where:
bonds (distance) C4'-P energy: -29.721
bonds (distance) P-C4' energy: -32.655
flat angles C4'-P-C4' energy: -34.137
flat angles P-C4'-P energy: -18.556
tors. eta vs tors. theta energy: -51.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -501.167481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.167481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.167481 (E_RNA)
where:
Base-Base interactions energy: -340.456
where: short stacking energy: -162.244
Base-Backbone interact. energy: -0.578
local terms energy: -160.133355
where:
bonds (distance) C4'-P energy: -25.177
bonds (distance) P-C4' energy: -33.945
flat angles C4'-P-C4' energy: -35.733
flat angles P-C4'-P energy: -21.358
tors. eta vs tors. theta energy: -43.920
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: 3, replica: 10
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -495.613252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.613252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.613252 (E_RNA)
where:
Base-Base interactions energy: -335.050
where: short stacking energy: -153.076
Base-Backbone interact. energy: -0.237
local terms energy: -160.326511
where:
bonds (distance) C4'-P energy: -29.455
bonds (distance) P-C4' energy: -29.136
flat angles C4'-P-C4' energy: -34.204
flat angles P-C4'-P energy: -22.723
tors. eta vs tors. theta energy: -44.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -450.369048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.369048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.369048 (E_RNA)
where:
Base-Base interactions energy: -297.614
where: short stacking energy: -140.274
Base-Backbone interact. energy: -1.081
local terms energy: -151.673574
where:
bonds (distance) C4'-P energy: -31.043
bonds (distance) P-C4' energy: -29.499
flat angles C4'-P-C4' energy: -30.434
flat angles P-C4'-P energy: -21.198
tors. eta vs tors. theta energy: -39.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -421.300502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.300502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.300502 (E_RNA)
where:
Base-Base interactions energy: -271.741
where: short stacking energy: -131.226
Base-Backbone interact. energy: 1.403
local terms energy: -150.961933
where:
bonds (distance) C4'-P energy: -29.651
bonds (distance) P-C4' energy: -28.186
flat angles C4'-P-C4' energy: -31.569
flat angles P-C4'-P energy: -27.665
tors. eta vs tors. theta energy: -33.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -423.912486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.912486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.912486 (E_RNA)
where:
Base-Base interactions energy: -283.448
where: short stacking energy: -113.803
Base-Backbone interact. energy: -0.492
local terms energy: -139.972713
where:
bonds (distance) C4'-P energy: -27.406
bonds (distance) P-C4' energy: -24.111
flat angles C4'-P-C4' energy: -36.117
flat angles P-C4'-P energy: -18.769
tors. eta vs tors. theta energy: -33.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -339.667885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.667885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.667885 (E_RNA)
where:
Base-Base interactions energy: -220.220
where: short stacking energy: -101.440
Base-Backbone interact. energy: -0.011
local terms energy: -119.437215
where:
bonds (distance) C4'-P energy: -26.947
bonds (distance) P-C4' energy: -32.178
flat angles C4'-P-C4' energy: -24.474
flat angles P-C4'-P energy: -16.951
tors. eta vs tors. theta energy: -18.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -160.317637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.317637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.317637 (E_RNA)
where:
Base-Base interactions energy: -57.739
where: short stacking energy: -49.207
Base-Backbone interact. energy: 1.249
local terms energy: -103.828144
where:
bonds (distance) C4'-P energy: -27.946
bonds (distance) P-C4' energy: -35.203
flat angles C4'-P-C4' energy: -21.479
flat angles P-C4'-P energy: -18.868
tors. eta vs tors. theta energy: -0.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -274.675588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.675588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.675588 (E_RNA)
where:
Base-Base interactions energy: -172.688
where: short stacking energy: -84.974
Base-Backbone interact. energy: 1.089
local terms energy: -103.076477
where:
bonds (distance) C4'-P energy: -26.788
bonds (distance) P-C4' energy: -33.432
flat angles C4'-P-C4' energy: -20.961
flat angles P-C4'-P energy: -10.244
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: 10, replica: 4
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -159.039181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.039181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.039181 (E_RNA)
where:
Base-Base interactions energy: -44.586
where: short stacking energy: -43.461
Base-Backbone interact. energy: -1.246
local terms energy: -113.207414
where:
bonds (distance) C4'-P energy: -31.384
bonds (distance) P-C4' energy: -28.235
flat angles C4'-P-C4' energy: -30.252
flat angles P-C4'-P energy: -18.219
tors. eta vs tors. theta energy: -5.118
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: 1, replica: 6
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -546.443916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.443916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.443916 (E_RNA)
where:
Base-Base interactions energy: -367.782
where: short stacking energy: -172.223
Base-Backbone interact. energy: -1.124
local terms energy: -177.537555
where:
bonds (distance) C4'-P energy: -30.443
bonds (distance) P-C4' energy: -36.039
flat angles C4'-P-C4' energy: -33.129
flat angles P-C4'-P energy: -27.405
tors. eta vs tors. theta energy: -50.522
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: 10
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -510.969695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.969695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.969695 (E_RNA)
where:
Base-Base interactions energy: -351.630
where: short stacking energy: -148.171
Base-Backbone interact. energy: 4.711
local terms energy: -164.050993
where:
bonds (distance) C4'-P energy: -32.719
bonds (distance) P-C4' energy: -37.703
flat angles C4'-P-C4' energy: -30.147
flat angles P-C4'-P energy: -21.367
tors. eta vs tors. theta energy: -42.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -516.162164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.162164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.162164 (E_RNA)
where:
Base-Base interactions energy: -346.947
where: short stacking energy: -151.134
Base-Backbone interact. energy: -0.616
local terms energy: -168.598777
where:
bonds (distance) C4'-P energy: -34.544
bonds (distance) P-C4' energy: -34.092
flat angles C4'-P-C4' energy: -30.813
flat angles P-C4'-P energy: -23.344
tors. eta vs tors. theta energy: -45.805
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: 223
Temperature: 1.050000
Total energy: -450.571345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.571345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.571345 (E_RNA)
where:
Base-Base interactions energy: -295.706
where: short stacking energy: -129.851
Base-Backbone interact. energy: 0.300
local terms energy: -155.165589
where:
bonds (distance) C4'-P energy: -30.991
bonds (distance) P-C4' energy: -31.893
flat angles C4'-P-C4' energy: -34.196
flat angles P-C4'-P energy: -16.402
tors. eta vs tors. theta energy: -41.684
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: 1
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -440.329630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.329630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.329630 (E_RNA)
where:
Base-Base interactions energy: -286.413
where: short stacking energy: -125.752
Base-Backbone interact. energy: -0.967
local terms energy: -152.949945
where:
bonds (distance) C4'-P energy: -36.114
bonds (distance) P-C4' energy: -29.975
flat angles C4'-P-C4' energy: -34.976
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -40.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -428.564923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.564923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.564923 (E_RNA)
where:
Base-Base interactions energy: -281.601
where: short stacking energy: -121.333
Base-Backbone interact. energy: -0.811
local terms energy: -146.153035
where:
bonds (distance) C4'-P energy: -23.879
bonds (distance) P-C4' energy: -32.241
flat angles C4'-P-C4' energy: -35.722
flat angles P-C4'-P energy: -23.702
tors. eta vs tors. theta energy: -30.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -333.843510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.843510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.843510 (E_RNA)
where:
Base-Base interactions energy: -190.714
where: short stacking energy: -93.397
Base-Backbone interact. energy: -0.926
local terms energy: -142.204129
where:
bonds (distance) C4'-P energy: -24.520
bonds (distance) P-C4' energy: -35.314
flat angles C4'-P-C4' energy: -38.039
flat angles P-C4'-P energy: -20.512
tors. eta vs tors. theta energy: -23.820
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: 8
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -250.301623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.301623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.301623 (E_RNA)
where:
Base-Base interactions energy: -144.895
where: short stacking energy: -80.974
Base-Backbone interact. energy: -0.116
local terms energy: -105.290673
where:
bonds (distance) C4'-P energy: -28.237
bonds (distance) P-C4' energy: -25.106
flat angles C4'-P-C4' energy: -29.971
flat angles P-C4'-P energy: -13.242
tors. eta vs tors. theta energy: -8.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -168.070738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.070738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.070738 (E_RNA)
where:
Base-Base interactions energy: -75.524
where: short stacking energy: -62.264
Base-Backbone interact. energy: -0.657
local terms energy: -91.889782
where:
bonds (distance) C4'-P energy: -17.252
bonds (distance) P-C4' energy: -30.149
flat angles C4'-P-C4' energy: -24.790
flat angles P-C4'-P energy: -13.802
tors. eta vs tors. theta energy: -5.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -144.961982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.961982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.961982 (E_RNA)
where:
Base-Base interactions energy: -48.241
where: short stacking energy: -46.936
Base-Backbone interact. energy: -0.416
local terms energy: -96.305661
where:
bonds (distance) C4'-P energy: -18.544
bonds (distance) P-C4' energy: -33.080
flat angles C4'-P-C4' energy: -30.844
flat angles P-C4'-P energy: -12.438
tors. eta vs tors. theta energy: -1.399
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: 6
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -537.907760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.907760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.907760 (E_RNA)
where:
Base-Base interactions energy: -360.557
where: short stacking energy: -164.762
Base-Backbone interact. energy: -0.070
local terms energy: -177.281462
where:
bonds (distance) C4'-P energy: -36.553
bonds (distance) P-C4' energy: -32.197
flat angles C4'-P-C4' energy: -35.755
flat angles P-C4'-P energy: -25.889
tors. eta vs tors. theta energy: -46.888
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: 10
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -504.909576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.909576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.909576 (E_RNA)
where:
Base-Base interactions energy: -335.050
where: short stacking energy: -141.487
Base-Backbone interact. energy: -2.434
local terms energy: -167.425291
where:
bonds (distance) C4'-P energy: -32.424
bonds (distance) P-C4' energy: -33.121
flat angles C4'-P-C4' energy: -32.691
flat angles P-C4'-P energy: -26.361
tors. eta vs tors. theta energy: -42.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -506.663682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.663682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.663682 (E_RNA)
where:
Base-Base interactions energy: -345.368
where: short stacking energy: -162.555
Base-Backbone interact. energy: -0.337
local terms energy: -160.958754
where:
bonds (distance) C4'-P energy: -30.483
bonds (distance) P-C4' energy: -30.043
flat angles C4'-P-C4' energy: -31.280
flat angles P-C4'-P energy: -23.473
tors. eta vs tors. theta energy: -45.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -465.088811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.088811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.088811 (E_RNA)
where:
Base-Base interactions energy: -308.856
where: short stacking energy: -131.624
Base-Backbone interact. energy: -0.499
local terms energy: -155.733823
where:
bonds (distance) C4'-P energy: -29.088
bonds (distance) P-C4' energy: -32.192
flat angles C4'-P-C4' energy: -31.899
flat angles P-C4'-P energy: -23.336
tors. eta vs tors. theta energy: -39.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -450.269888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.269888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.269888 (E_RNA)
where:
Base-Base interactions energy: -302.013
where: short stacking energy: -148.017
Base-Backbone interact. energy: 1.734
local terms energy: -149.990652
where:
bonds (distance) C4'-P energy: -25.790
bonds (distance) P-C4' energy: -24.629
flat angles C4'-P-C4' energy: -31.444
flat angles P-C4'-P energy: -22.506
tors. eta vs tors. theta energy: -45.623
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: 7
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -411.402705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.402705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.402705 (E_RNA)
where:
Base-Base interactions energy: -287.405
where: short stacking energy: -132.136
Base-Backbone interact. energy: -0.726
local terms energy: -123.271582
where:
bonds (distance) C4'-P energy: -16.290
bonds (distance) P-C4' energy: -22.998
flat angles C4'-P-C4' energy: -31.643
flat angles P-C4'-P energy: -15.793
tors. eta vs tors. theta energy: -36.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -317.130233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.130233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.130233 (E_RNA)
where:
Base-Base interactions energy: -197.385
where: short stacking energy: -101.061
Base-Backbone interact. energy: -0.736
local terms energy: -119.009473
where:
bonds (distance) C4'-P energy: -28.068
bonds (distance) P-C4' energy: -30.457
flat angles C4'-P-C4' energy: -25.986
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -21.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -225.795747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.795747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.795747 (E_RNA)
where:
Base-Base interactions energy: -129.301
where: short stacking energy: -80.197
Base-Backbone interact. energy: -0.292
local terms energy: -96.202919
where:
bonds (distance) C4'-P energy: -31.266
bonds (distance) P-C4' energy: -28.038
flat angles C4'-P-C4' energy: -16.492
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -9.299
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: 4
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -178.402938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.402938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.402938 (E_RNA)
where:
Base-Base interactions energy: -78.241
where: short stacking energy: -47.376
Base-Backbone interact. energy: -0.876
local terms energy: -99.285419
where:
bonds (distance) C4'-P energy: -29.432
bonds (distance) P-C4' energy: -30.146
flat angles C4'-P-C4' energy: -24.051
flat angles P-C4'-P energy: -14.427
tors. eta vs tors. theta energy: -1.229
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: 9
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -156.445678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.445678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.445678 (E_RNA)
where:
Base-Base interactions energy: -61.138
where: short stacking energy: -60.726
Base-Backbone interact. energy: 0.022
local terms energy: -95.329723
where:
bonds (distance) C4'-P energy: -22.467
bonds (distance) P-C4' energy: -21.547
flat angles C4'-P-C4' energy: -29.939
flat angles P-C4'-P energy: -13.362
tors. eta vs tors. theta energy: -8.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -541.488440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.488440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.488440 (E_RNA)
where:
Base-Base interactions energy: -365.674
where: short stacking energy: -164.081
Base-Backbone interact. energy: -0.403
local terms energy: -175.411432
where:
bonds (distance) C4'-P energy: -28.695
bonds (distance) P-C4' energy: -36.121
flat angles C4'-P-C4' energy: -38.317
flat angles P-C4'-P energy: -24.987
tors. eta vs tors. theta energy: -47.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -487.558764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.558764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.558764 (E_RNA)
where:
Base-Base interactions energy: -324.508
where: short stacking energy: -137.240
Base-Backbone interact. energy: -0.729
local terms energy: -162.321202
where:
bonds (distance) C4'-P energy: -30.069
bonds (distance) P-C4' energy: -30.385
flat angles C4'-P-C4' energy: -30.284
flat angles P-C4'-P energy: -26.045
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: 3, replica: 10
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -494.992469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.992469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.992469 (E_RNA)
where:
Base-Base interactions energy: -339.361
where: short stacking energy: -153.553
Base-Backbone interact. energy: -1.407
local terms energy: -154.224494
where:
bonds (distance) C4'-P energy: -30.565
bonds (distance) P-C4' energy: -28.498
flat angles C4'-P-C4' energy: -32.191
flat angles P-C4'-P energy: -17.903
tors. eta vs tors. theta energy: -45.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -452.796860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.796860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.796860 (E_RNA)
where:
Base-Base interactions energy: -288.752
where: short stacking energy: -134.798
Base-Backbone interact. energy: -0.533
local terms energy: -163.511728
where:
bonds (distance) C4'-P energy: -25.739
bonds (distance) P-C4' energy: -35.426
flat angles C4'-P-C4' energy: -33.866
flat angles P-C4'-P energy: -22.401
tors. eta vs tors. theta energy: -46.080
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: 5
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -422.774862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.774862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.774862 (E_RNA)
where:
Base-Base interactions energy: -267.238
where: short stacking energy: -130.616
Base-Backbone interact. energy: -0.993
local terms energy: -154.543713
where:
bonds (distance) C4'-P energy: -24.470
bonds (distance) P-C4' energy: -28.812
flat angles C4'-P-C4' energy: -35.609
flat angles P-C4'-P energy: -22.597
tors. eta vs tors. theta energy: -43.057
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: 7
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -413.648001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.648001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.648001 (E_RNA)
where:
Base-Base interactions energy: -291.232
where: short stacking energy: -124.950
Base-Backbone interact. energy: -0.796
local terms energy: -121.619588
where:
bonds (distance) C4'-P energy: -29.349
bonds (distance) P-C4' energy: -19.321
flat angles C4'-P-C4' energy: -25.824
flat angles P-C4'-P energy: -16.896
tors. eta vs tors. theta energy: -30.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -332.013084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.013084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.013084 (E_RNA)
where:
Base-Base interactions energy: -211.815
where: short stacking energy: -86.627
Base-Backbone interact. energy: 0.806
local terms energy: -121.003929
where:
bonds (distance) C4'-P energy: -27.925
bonds (distance) P-C4' energy: -26.080
flat angles C4'-P-C4' energy: -25.254
flat angles P-C4'-P energy: -19.125
tors. eta vs tors. theta energy: -22.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -238.451223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.451223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.451223 (E_RNA)
where:
Base-Base interactions energy: -130.671
where: short stacking energy: -80.321
Base-Backbone interact. energy: -0.186
local terms energy: -107.594195
where:
bonds (distance) C4'-P energy: -30.217
bonds (distance) P-C4' energy: -31.786
flat angles C4'-P-C4' energy: -22.563
flat angles P-C4'-P energy: -14.451
tors. eta vs tors. theta energy: -8.577
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: 4
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -171.440911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.440911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.440911 (E_RNA)
where:
Base-Base interactions energy: -74.522
where: short stacking energy: -42.594
Base-Backbone interact. energy: 1.316
local terms energy: -98.235332
where:
bonds (distance) C4'-P energy: -27.245
bonds (distance) P-C4' energy: -25.738
flat angles C4'-P-C4' energy: -24.476
flat angles P-C4'-P energy: -14.578
tors. eta vs tors. theta energy: -6.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -148.874401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.874401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.874401 (E_RNA)
where:
Base-Base interactions energy: -46.770
where: short stacking energy: -39.151
Base-Backbone interact. energy: -0.143
local terms energy: -101.961757
where:
bonds (distance) C4'-P energy: -26.217
bonds (distance) P-C4' energy: -35.479
flat angles C4'-P-C4' energy: -24.479
flat angles P-C4'-P energy: -16.749
tors. eta vs tors. theta energy: 0.962
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: 1, replica: 6
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -534.190578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.190578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.190578 (E_RNA)
where:
Base-Base interactions energy: -358.124
where: short stacking energy: -163.775
Base-Backbone interact. energy: -0.048
local terms energy: -176.018831
where:
bonds (distance) C4'-P energy: -33.128
bonds (distance) P-C4' energy: -30.913
flat angles C4'-P-C4' energy: -39.268
flat angles P-C4'-P energy: -22.896
tors. eta vs tors. theta energy: -49.815
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: 2
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -511.619201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.619201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.619201 (E_RNA)
where:
Base-Base interactions energy: -339.459
where: short stacking energy: -144.104
Base-Backbone interact. energy: -1.450
local terms energy: -170.710316
where:
bonds (distance) C4'-P energy: -31.439
bonds (distance) P-C4' energy: -35.616
flat angles C4'-P-C4' energy: -35.168
flat angles P-C4'-P energy: -23.222
tors. eta vs tors. theta energy: -45.265
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: 3, replica: 10
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -506.218900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.218900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.218900 (E_RNA)
where:
Base-Base interactions energy: -339.363
where: short stacking energy: -154.581
Base-Backbone interact. energy: -3.737
local terms energy: -163.118442
where:
bonds (distance) C4'-P energy: -24.702
bonds (distance) P-C4' energy: -35.037
flat angles C4'-P-C4' energy: -31.614
flat angles P-C4'-P energy: -25.379
tors. eta vs tors. theta energy: -46.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -465.388554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.388554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.388554 (E_RNA)
where:
Base-Base interactions energy: -303.237
where: short stacking energy: -151.219
Base-Backbone interact. energy: -0.440
local terms energy: -161.711744
where:
bonds (distance) C4'-P energy: -32.798
bonds (distance) P-C4' energy: -36.275
flat angles C4'-P-C4' energy: -25.805
flat angles P-C4'-P energy: -23.072
tors. eta vs tors. theta energy: -43.762
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: 5, replica: 5
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -434.151023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.151023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.151023 (E_RNA)
where:
Base-Base interactions energy: -276.788
where: short stacking energy: -116.366
Base-Backbone interact. energy: -1.650
local terms energy: -155.712700
where:
bonds (distance) C4'-P energy: -30.295
bonds (distance) P-C4' energy: -36.275
flat angles C4'-P-C4' energy: -27.769
flat angles P-C4'-P energy: -23.276
tors. eta vs tors. theta energy: -38.099
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: 7
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -423.490603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.490603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.490603 (E_RNA)
where:
Base-Base interactions energy: -299.922
where: short stacking energy: -117.387
Base-Backbone interact. energy: -0.248
local terms energy: -123.319830
where:
bonds (distance) C4'-P energy: -26.465
bonds (distance) P-C4' energy: -24.800
flat angles C4'-P-C4' energy: -28.601
flat angles P-C4'-P energy: -15.134
tors. eta vs tors. theta energy: -28.320
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: 3
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -317.818866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.818866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.818866 (E_RNA)
where:
Base-Base interactions energy: -205.004
where: short stacking energy: -98.378
Base-Backbone interact. energy: -2.107
local terms energy: -110.708641
where:
bonds (distance) C4'-P energy: -28.047
bonds (distance) P-C4' energy: -30.767
flat angles C4'-P-C4' energy: -20.052
flat angles P-C4'-P energy: -15.120
tors. eta vs tors. theta energy: -16.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -227.614923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.614923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.614923 (E_RNA)
where:
Base-Base interactions energy: -127.373
where: short stacking energy: -61.087
Base-Backbone interact. energy: -0.243
local terms energy: -99.998995
where:
bonds (distance) C4'-P energy: -21.950
bonds (distance) P-C4' energy: -25.582
flat angles C4'-P-C4' energy: -29.742
flat angles P-C4'-P energy: -13.395
tors. eta vs tors. theta energy: -9.330
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: 4
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -206.227879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.227879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.227879 (E_RNA)
where:
Base-Base interactions energy: -102.047
where: short stacking energy: -65.358
Base-Backbone interact. energy: -0.371
local terms energy: -103.810287
where:
bonds (distance) C4'-P energy: -26.504
bonds (distance) P-C4' energy: -32.887
flat angles C4'-P-C4' energy: -25.396
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -6.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -162.112731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.112731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.112731 (E_RNA)
where:
Base-Base interactions energy: -64.697
where: short stacking energy: -35.197
Base-Backbone interact. energy: -1.101
local terms energy: -96.314843
where:
bonds (distance) C4'-P energy: -20.227
bonds (distance) P-C4' energy: -30.434
flat angles C4'-P-C4' energy: -24.817
flat angles P-C4'-P energy: -22.389
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: 6
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -541.929540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.929540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.929540 (E_RNA)
where:
Base-Base interactions energy: -373.717
where: short stacking energy: -160.051
Base-Backbone interact. energy: -0.460
local terms energy: -167.752770
where:
bonds (distance) C4'-P energy: -30.242
bonds (distance) P-C4' energy: -29.000
flat angles C4'-P-C4' energy: -36.074
flat angles P-C4'-P energy: -25.581
tors. eta vs tors. theta energy: -46.857
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: 227
Temperature: 0.950000
Total energy: -499.703665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.703665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.703665 (E_RNA)
where:
Base-Base interactions energy: -332.938
where: short stacking energy: -143.649
Base-Backbone interact. energy: -1.843
local terms energy: -164.922448
where:
bonds (distance) C4'-P energy: -32.329
bonds (distance) P-C4' energy: -35.991
flat angles C4'-P-C4' energy: -34.248
flat angles P-C4'-P energy: -26.290
tors. eta vs tors. theta energy: -36.064
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: 2
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -514.057050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.057050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.057050 (E_RNA)
where:
Base-Base interactions energy: -360.635
where: short stacking energy: -159.455
Base-Backbone interact. energy: -0.617
local terms energy: -152.804832
where:
bonds (distance) C4'-P energy: -24.244
bonds (distance) P-C4' energy: -34.234
flat angles C4'-P-C4' energy: -31.694
flat angles P-C4'-P energy: -18.643
tors. eta vs tors. theta energy: -43.989
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: 1
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -442.276996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.276996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.276996 (E_RNA)
where:
Base-Base interactions energy: -292.970
where: short stacking energy: -137.935
Base-Backbone interact. energy: -1.997
local terms energy: -147.309959
where:
bonds (distance) C4'-P energy: -23.543
bonds (distance) P-C4' energy: -31.639
flat angles C4'-P-C4' energy: -32.297
flat angles P-C4'-P energy: -21.731
tors. eta vs tors. theta energy: -38.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -412.619411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.619411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.619411 (E_RNA)
where:
Base-Base interactions energy: -267.133
where: short stacking energy: -117.797
Base-Backbone interact. energy: -0.789
local terms energy: -144.696961
where:
bonds (distance) C4'-P energy: -29.607
bonds (distance) P-C4' energy: -34.253
flat angles C4'-P-C4' energy: -33.154
flat angles P-C4'-P energy: -19.728
tors. eta vs tors. theta energy: -27.956
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: 7
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -433.030658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.030658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.030658 (E_RNA)
where:
Base-Base interactions energy: -302.562
where: short stacking energy: -119.087
Base-Backbone interact. energy: -0.848
local terms energy: -129.620954
where:
bonds (distance) C4'-P energy: -25.291
bonds (distance) P-C4' energy: -30.413
flat angles C4'-P-C4' energy: -23.983
flat angles P-C4'-P energy: -16.766
tors. eta vs tors. theta energy: -33.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -324.155289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.155289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.155289 (E_RNA)
where:
Base-Base interactions energy: -195.891
where: short stacking energy: -91.358
Base-Backbone interact. energy: -1.081
local terms energy: -127.183563
where:
bonds (distance) C4'-P energy: -31.813
bonds (distance) P-C4' energy: -31.063
flat angles C4'-P-C4' energy: -24.972
flat angles P-C4'-P energy: -13.641
tors. eta vs tors. theta energy: -25.695
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: 8, replica: 4
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -205.468348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.468348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.468348 (E_RNA)
where:
Base-Base interactions energy: -104.159
where: short stacking energy: -62.902
Base-Backbone interact. energy: -0.921
local terms energy: -100.388663
where:
bonds (distance) C4'-P energy: -19.302
bonds (distance) P-C4' energy: -29.964
flat angles C4'-P-C4' energy: -26.856
flat angles P-C4'-P energy: -17.242
tors. eta vs tors. theta energy: -7.025
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: 8
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -230.600408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.600408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.600408 (E_RNA)
where:
Base-Base interactions energy: -134.343
where: short stacking energy: -73.904
Base-Backbone interact. energy: -0.366
local terms energy: -95.891336
where:
bonds (distance) C4'-P energy: -26.248
bonds (distance) P-C4' energy: -22.693
flat angles C4'-P-C4' energy: -19.903
flat angles P-C4'-P energy: -17.614
tors. eta vs tors. theta energy: -9.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -145.999776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.999776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.999776 (E_RNA)
where:
Base-Base interactions energy: -53.358
where: short stacking energy: -46.047
Base-Backbone interact. energy: -0.077
local terms energy: -92.564265
where:
bonds (distance) C4'-P energy: -30.429
bonds (distance) P-C4' energy: -26.642
flat angles C4'-P-C4' energy: -30.048
flat angles P-C4'-P energy: -8.240
tors. eta vs tors. theta energy: 2.794
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: 6
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -539.359583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.359583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.359583 (E_RNA)
where:
Base-Base interactions energy: -370.216
where: short stacking energy: -169.523
Base-Backbone interact. energy: -0.530
local terms energy: -168.613462
where:
bonds (distance) C4'-P energy: -31.460
bonds (distance) P-C4' energy: -34.232
flat angles C4'-P-C4' energy: -31.354
flat angles P-C4'-P energy: -21.577
tors. eta vs tors. theta energy: -49.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -503.120237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.120237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.120237 (E_RNA)
where:
Base-Base interactions energy: -338.594
where: short stacking energy: -155.687
Base-Backbone interact. energy: -1.369
local terms energy: -163.157355
where:
bonds (distance) C4'-P energy: -32.147
bonds (distance) P-C4' energy: -35.634
flat angles C4'-P-C4' energy: -32.166
flat angles P-C4'-P energy: -22.909
tors. eta vs tors. theta energy: -40.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -499.986316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.986316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.986316 (E_RNA)
where:
Base-Base interactions energy: -335.267
where: short stacking energy: -148.123
Base-Backbone interact. energy: 0.795
local terms energy: -165.514574
where:
bonds (distance) C4'-P energy: -33.413
bonds (distance) P-C4' energy: -33.740
flat angles C4'-P-C4' energy: -33.114
flat angles P-C4'-P energy: -20.492
tors. eta vs tors. theta energy: -44.756
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: 1
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -451.698407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.698407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.698407 (E_RNA)
where:
Base-Base interactions energy: -304.074
where: short stacking energy: -127.523
Base-Backbone interact. energy: -1.527
local terms energy: -146.097935
where:
bonds (distance) C4'-P energy: -24.909
bonds (distance) P-C4' energy: -28.487
flat angles C4'-P-C4' energy: -31.664
flat angles P-C4'-P energy: -27.128
tors. eta vs tors. theta energy: -33.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -459.707789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.707789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.707789 (E_RNA)
where:
Base-Base interactions energy: -312.704
where: short stacking energy: -135.345
Base-Backbone interact. energy: -0.327
local terms energy: -146.676846
where:
bonds (distance) C4'-P energy: -28.026
bonds (distance) P-C4' energy: -32.540
flat angles C4'-P-C4' energy: -26.212
flat angles P-C4'-P energy: -22.126
tors. eta vs tors. theta energy: -37.773
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: 5
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -420.674593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.674593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.674593 (E_RNA)
where:
Base-Base interactions energy: -281.554
where: short stacking energy: -125.162
Base-Backbone interact. energy: -0.325
local terms energy: -138.795745
where:
bonds (distance) C4'-P energy: -30.707
bonds (distance) P-C4' energy: -21.127
flat angles C4'-P-C4' energy: -30.703
flat angles P-C4'-P energy: -20.605
tors. eta vs tors. theta energy: -35.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -332.514457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.514457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.514457 (E_RNA)
where:
Base-Base interactions energy: -203.133
where: short stacking energy: -101.100
Base-Backbone interact. energy: -0.070
local terms energy: -129.312306
where:
bonds (distance) C4'-P energy: -29.601
bonds (distance) P-C4' energy: -31.199
flat angles C4'-P-C4' energy: -25.950
flat angles P-C4'-P energy: -18.769
tors. eta vs tors. theta energy: -23.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -169.567637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.567637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.567637 (E_RNA)
where:
Base-Base interactions energy: -59.924
where: short stacking energy: -55.080
Base-Backbone interact. energy: 0.417
local terms energy: -110.060953
where:
bonds (distance) C4'-P energy: -26.082
bonds (distance) P-C4' energy: -26.189
flat angles C4'-P-C4' energy: -28.087
flat angles P-C4'-P energy: -19.222
tors. eta vs tors. theta energy: -10.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -174.341473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.341473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.341473 (E_RNA)
where:
Base-Base interactions energy: -75.393
where: short stacking energy: -55.726
Base-Backbone interact. energy: -1.169
local terms energy: -97.779692
where:
bonds (distance) C4'-P energy: -30.481
bonds (distance) P-C4' energy: -20.211
flat angles C4'-P-C4' energy: -24.798
flat angles P-C4'-P energy: -13.710
tors. eta vs tors. theta energy: -8.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -240.770245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.770245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.770245 (E_RNA)
where:
Base-Base interactions energy: -128.696
where: short stacking energy: -67.255
Base-Backbone interact. energy: -1.749
local terms energy: -110.324710
where:
bonds (distance) C4'-P energy: -27.657
bonds (distance) P-C4' energy: -35.832
flat angles C4'-P-C4' energy: -20.366
flat angles P-C4'-P energy: -20.112
tors. eta vs tors. theta energy: -6.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -538.353067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.353067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.353067 (E_RNA)
where:
Base-Base interactions energy: -360.321
where: short stacking energy: -168.523
Base-Backbone interact. energy: -0.053
local terms energy: -177.979047
where:
bonds (distance) C4'-P energy: -31.129
bonds (distance) P-C4' energy: -36.488
flat angles C4'-P-C4' energy: -39.970
flat angles P-C4'-P energy: -21.975
tors. eta vs tors. theta energy: -48.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -515.281559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.281559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.281559 (E_RNA)
where:
Base-Base interactions energy: -357.930
where: short stacking energy: -153.489
Base-Backbone interact. energy: -0.019
local terms energy: -157.332865
where:
bonds (distance) C4'-P energy: -27.279
bonds (distance) P-C4' energy: -36.207
flat angles C4'-P-C4' energy: -30.039
flat angles P-C4'-P energy: -21.795
tors. eta vs tors. theta energy: -42.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -488.577617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.577617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.577617 (E_RNA)
where:
Base-Base interactions energy: -333.110
where: short stacking energy: -144.475
Base-Backbone interact. energy: 0.155
local terms energy: -155.621865
where:
bonds (distance) C4'-P energy: -26.236
bonds (distance) P-C4' energy: -34.408
flat angles C4'-P-C4' energy: -33.319
flat angles P-C4'-P energy: -24.935
tors. eta vs tors. theta energy: -36.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -495.253315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.253315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.253315 (E_RNA)
where:
Base-Base interactions energy: -341.227
where: short stacking energy: -152.235
Base-Backbone interact. energy: -0.545
local terms energy: -153.480804
where:
bonds (distance) C4'-P energy: -20.079
bonds (distance) P-C4' energy: -32.124
flat angles C4'-P-C4' energy: -34.584
flat angles P-C4'-P energy: -23.718
tors. eta vs tors. theta energy: -42.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -441.052641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.052641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.052641 (E_RNA)
where:
Base-Base interactions energy: -288.603
where: short stacking energy: -128.893
Base-Backbone interact. energy: -1.386
local terms energy: -151.063650
where:
bonds (distance) C4'-P energy: -26.052
bonds (distance) P-C4' energy: -29.122
flat angles C4'-P-C4' energy: -35.886
flat angles P-C4'-P energy: -23.998
tors. eta vs tors. theta energy: -36.007
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: 6, replica: 5
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -423.437299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.437299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.437299 (E_RNA)
where:
Base-Base interactions energy: -290.548
where: short stacking energy: -119.719
Base-Backbone interact. energy: -0.629
local terms energy: -132.260293
where:
bonds (distance) C4'-P energy: -22.823
bonds (distance) P-C4' energy: -27.823
flat angles C4'-P-C4' energy: -30.487
flat angles P-C4'-P energy: -14.086
tors. eta vs tors. theta energy: -37.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -324.349615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.349615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.349615 (E_RNA)
where:
Base-Base interactions energy: -204.868
where: short stacking energy: -85.851
Base-Backbone interact. energy: 0.019
local terms energy: -119.500947
where:
bonds (distance) C4'-P energy: -27.742
bonds (distance) P-C4' energy: -26.314
flat angles C4'-P-C4' energy: -23.374
flat angles P-C4'-P energy: -24.632
tors. eta vs tors. theta energy: -17.439
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: 4
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -162.302339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.302339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.302339 (E_RNA)
where:
Base-Base interactions energy: -56.352
where: short stacking energy: -46.586
Base-Backbone interact. energy: 1.503
local terms energy: -107.452874
where:
bonds (distance) C4'-P energy: -32.406
bonds (distance) P-C4' energy: -31.880
flat angles C4'-P-C4' energy: -24.391
flat angles P-C4'-P energy: -18.705
tors. eta vs tors. theta energy: -0.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -178.564666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.564666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.564666 (E_RNA)
where:
Base-Base interactions energy: -93.141
where: short stacking energy: -48.632
Base-Backbone interact. energy: 5.451
local terms energy: -90.874648
where:
bonds (distance) C4'-P energy: -22.339
bonds (distance) P-C4' energy: -30.440
flat angles C4'-P-C4' energy: -20.841
flat angles P-C4'-P energy: -16.611
tors. eta vs tors. theta energy: -0.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -219.260146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.260146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.260146 (E_RNA)
where:
Base-Base interactions energy: -121.040
where: short stacking energy: -68.239
Base-Backbone interact. energy: -0.851
local terms energy: -97.369915
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -33.413
flat angles C4'-P-C4' energy: -21.856
flat angles P-C4'-P energy: -14.213
tors. eta vs tors. theta energy: -12.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -545.199992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.199992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.199992 (E_RNA)
where:
Base-Base interactions energy: -376.434
where: short stacking energy: -170.580
Base-Backbone interact. energy: -0.615
local terms energy: -168.150823
where:
bonds (distance) C4'-P energy: -36.768
bonds (distance) P-C4' energy: -26.014
flat angles C4'-P-C4' energy: -36.273
flat angles P-C4'-P energy: -23.684
tors. eta vs tors. theta energy: -45.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -520.480625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.480625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.480625 (E_RNA)
where:
Base-Base interactions energy: -355.215
where: short stacking energy: -160.757
Base-Backbone interact. energy: -0.331
local terms energy: -164.934162
where:
bonds (distance) C4'-P energy: -27.829
bonds (distance) P-C4' energy: -34.353
flat angles C4'-P-C4' energy: -35.437
flat angles P-C4'-P energy: -21.193
tors. eta vs tors. theta energy: -46.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -505.632599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.632599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.632599 (E_RNA)
where:
Base-Base interactions energy: -351.825
where: short stacking energy: -145.174
Base-Backbone interact. energy: -0.731
local terms energy: -153.076490
where:
bonds (distance) C4'-P energy: -26.531
bonds (distance) P-C4' energy: -28.032
flat angles C4'-P-C4' energy: -37.427
flat angles P-C4'-P energy: -17.748
tors. eta vs tors. theta energy: -43.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -477.385597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.385597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.385597 (E_RNA)
where:
Base-Base interactions energy: -322.777
where: short stacking energy: -134.741
Base-Backbone interact. energy: -1.025
local terms energy: -153.583916
where:
bonds (distance) C4'-P energy: -24.494
bonds (distance) P-C4' energy: -32.568
flat angles C4'-P-C4' energy: -38.082
flat angles P-C4'-P energy: -19.107
tors. eta vs tors. theta energy: -39.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -425.217389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.217389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.217389 (E_RNA)
where:
Base-Base interactions energy: -276.537
where: short stacking energy: -132.031
Base-Backbone interact. energy: -0.481
local terms energy: -148.199415
where:
bonds (distance) C4'-P energy: -27.794
bonds (distance) P-C4' energy: -35.051
flat angles C4'-P-C4' energy: -26.430
flat angles P-C4'-P energy: -22.006
tors. eta vs tors. theta energy: -36.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -408.220977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.220977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.220977 (E_RNA)
where:
Base-Base interactions energy: -268.816
where: short stacking energy: -134.330
Base-Backbone interact. energy: -0.695
local terms energy: -138.709911
where:
bonds (distance) C4'-P energy: -28.757
bonds (distance) P-C4' energy: -29.135
flat angles C4'-P-C4' energy: -29.181
flat angles P-C4'-P energy: -20.803
tors. eta vs tors. theta energy: -30.834
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: 230
Temperature: 1.200000
Total energy: -324.232611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.232611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.232611 (E_RNA)
where:
Base-Base interactions energy: -201.016
where: short stacking energy: -106.238
Base-Backbone interact. energy: -1.006
local terms energy: -122.211383
where:
bonds (distance) C4'-P energy: -26.350
bonds (distance) P-C4' energy: -24.735
flat angles C4'-P-C4' energy: -32.930
flat angles P-C4'-P energy: -15.729
tors. eta vs tors. theta energy: -22.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -207.996899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.996899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.996899 (E_RNA)
where:
Base-Base interactions energy: -102.242
where: short stacking energy: -67.632
Base-Backbone interact. energy: -0.277
local terms energy: -105.477935
where:
bonds (distance) C4'-P energy: -31.677
bonds (distance) P-C4' energy: -28.421
flat angles C4'-P-C4' energy: -26.391
flat angles P-C4'-P energy: -13.384
tors. eta vs tors. theta energy: -5.604
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: 8
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -219.169889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.169889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.169889 (E_RNA)
where:
Base-Base interactions energy: -123.016
where: short stacking energy: -69.208
Base-Backbone interact. energy: 1.643
local terms energy: -97.797312
where:
bonds (distance) C4'-P energy: -22.596
bonds (distance) P-C4' energy: -32.876
flat angles C4'-P-C4' energy: -21.940
flat angles P-C4'-P energy: -15.179
tors. eta vs tors. theta energy: -5.206
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: -150.696929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.696929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.696929 (E_RNA)
where:
Base-Base interactions energy: -67.767
where: short stacking energy: -40.140
Base-Backbone interact. energy: 0.274
local terms energy: -83.204067
where:
bonds (distance) C4'-P energy: -17.031
bonds (distance) P-C4' energy: -31.129
flat angles C4'-P-C4' energy: -25.711
flat angles P-C4'-P energy: -4.181
tors. eta vs tors. theta energy: -5.153
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: 6
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -550.941523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.941523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.941523 (E_RNA)
where:
Base-Base interactions energy: -375.196
where: short stacking energy: -171.808
Base-Backbone interact. energy: 1.194
local terms energy: -176.939972
where:
bonds (distance) C4'-P energy: -38.392
bonds (distance) P-C4' energy: -28.605
flat angles C4'-P-C4' energy: -38.115
flat angles P-C4'-P energy: -25.030
tors. eta vs tors. theta energy: -46.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -513.888868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.888868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.888868 (E_RNA)
where:
Base-Base interactions energy: -353.533
where: short stacking energy: -140.246
Base-Backbone interact. energy: -1.449
local terms energy: -158.907254
where:
bonds (distance) C4'-P energy: -29.531
bonds (distance) P-C4' energy: -30.708
flat angles C4'-P-C4' energy: -35.625
flat angles P-C4'-P energy: -19.338
tors. eta vs tors. theta energy: -43.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -520.677614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.677614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.677614 (E_RNA)
where:
Base-Base interactions energy: -350.149
where: short stacking energy: -159.769
Base-Backbone interact. energy: -0.004
local terms energy: -170.524707
where:
bonds (distance) C4'-P energy: -30.279
bonds (distance) P-C4' energy: -28.274
flat angles C4'-P-C4' energy: -34.302
flat angles P-C4'-P energy: -21.537
tors. eta vs tors. theta energy: -56.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -477.871977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.871977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.871977 (E_RNA)
where:
Base-Base interactions energy: -329.592
where: short stacking energy: -142.478
Base-Backbone interact. energy: -0.157
local terms energy: -148.123439
where:
bonds (distance) C4'-P energy: -32.254
bonds (distance) P-C4' energy: -27.620
flat angles C4'-P-C4' energy: -30.178
flat angles P-C4'-P energy: -21.000
tors. eta vs tors. theta energy: -37.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -442.902948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.902948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.902948 (E_RNA)
where:
Base-Base interactions energy: -298.302
where: short stacking energy: -131.409
Base-Backbone interact. energy: -0.363
local terms energy: -144.238662
where:
bonds (distance) C4'-P energy: -19.629
bonds (distance) P-C4' energy: -32.209
flat angles C4'-P-C4' energy: -32.224
flat angles P-C4'-P energy: -24.198
tors. eta vs tors. theta energy: -35.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -422.195068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.195068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.195068 (E_RNA)
where:
Base-Base interactions energy: -264.183
where: short stacking energy: -121.837
Base-Backbone interact. energy: -0.808
local terms energy: -157.204259
where:
bonds (distance) C4'-P energy: -33.725
bonds (distance) P-C4' energy: -33.377
flat angles C4'-P-C4' energy: -30.707
flat angles P-C4'-P energy: -19.441
tors. eta vs tors. theta energy: -39.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -343.411311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.411311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.411311 (E_RNA)
where:
Base-Base interactions energy: -204.625
where: short stacking energy: -100.708
Base-Backbone interact. energy: -0.174
local terms energy: -138.612203
where:
bonds (distance) C4'-P energy: -35.758
bonds (distance) P-C4' energy: -30.765
flat angles C4'-P-C4' energy: -24.847
flat angles P-C4'-P energy: -20.100
tors. eta vs tors. theta energy: -27.141
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: 8
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -237.494939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.494939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.494939 (E_RNA)
where:
Base-Base interactions energy: -115.855
where: short stacking energy: -78.166
Base-Backbone interact. energy: 0.307
local terms energy: -121.946895
where:
bonds (distance) C4'-P energy: -27.581
bonds (distance) P-C4' energy: -33.108
flat angles C4'-P-C4' energy: -29.163
flat angles P-C4'-P energy: -25.028
tors. eta vs tors. theta energy: -7.066
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: 4
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -168.090631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.090631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.090631 (E_RNA)
where:
Base-Base interactions energy: -71.261
where: short stacking energy: -66.769
Base-Backbone interact. energy: -0.478
local terms energy: -96.352373
where:
bonds (distance) C4'-P energy: -25.513
bonds (distance) P-C4' energy: -27.430
flat angles C4'-P-C4' energy: -30.615
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -3.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -181.220654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.220654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.220654 (E_RNA)
where:
Base-Base interactions energy: -85.397
where: short stacking energy: -43.780
Base-Backbone interact. energy: 1.663
local terms energy: -97.486964
where:
bonds (distance) C4'-P energy: -18.619
bonds (distance) P-C4' energy: -30.873
flat angles C4'-P-C4' energy: -24.581
flat angles P-C4'-P energy: -19.113
tors. eta vs tors. theta energy: -4.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -556.875349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.875349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.875349 (E_RNA)
where:
Base-Base interactions energy: -377.796
where: short stacking energy: -172.034
Base-Backbone interact. energy: -0.117
local terms energy: -178.962043
where:
bonds (distance) C4'-P energy: -32.205
bonds (distance) P-C4' energy: -36.774
flat angles C4'-P-C4' energy: -32.016
flat angles P-C4'-P energy: -28.299
tors. eta vs tors. theta energy: -49.669
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: 7
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -508.939199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.939199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.939199 (E_RNA)
where:
Base-Base interactions energy: -350.091
where: short stacking energy: -133.041
Base-Backbone interact. energy: -2.294
local terms energy: -156.554395
where:
bonds (distance) C4'-P energy: -29.791
bonds (distance) P-C4' energy: -35.223
flat angles C4'-P-C4' energy: -35.458
flat angles P-C4'-P energy: -20.374
tors. eta vs tors. theta energy: -35.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -495.349042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.349042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.349042 (E_RNA)
where:
Base-Base interactions energy: -337.292
where: short stacking energy: -142.327
Base-Backbone interact. energy: -1.675
local terms energy: -156.382538
where:
bonds (distance) C4'-P energy: -30.235
bonds (distance) P-C4' energy: -33.815
flat angles C4'-P-C4' energy: -32.387
flat angles P-C4'-P energy: -23.478
tors. eta vs tors. theta energy: -36.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -493.325743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.325743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.325743 (E_RNA)
where:
Base-Base interactions energy: -332.060
where: short stacking energy: -149.034
Base-Backbone interact. energy: -0.578
local terms energy: -160.687480
where:
bonds (distance) C4'-P energy: -32.018
bonds (distance) P-C4' energy: -24.750
flat angles C4'-P-C4' energy: -35.483
flat angles P-C4'-P energy: -24.678
tors. eta vs tors. theta energy: -43.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -427.222692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.222692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.222692 (E_RNA)
where:
Base-Base interactions energy: -276.744
where: short stacking energy: -131.965
Base-Backbone interact. energy: -2.353
local terms energy: -148.126043
where:
bonds (distance) C4'-P energy: -30.521
bonds (distance) P-C4' energy: -29.066
flat angles C4'-P-C4' energy: -34.118
flat angles P-C4'-P energy: -24.293
tors. eta vs tors. theta energy: -30.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -439.628539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.628539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.628539 (E_RNA)
where:
Base-Base interactions energy: -281.542
where: short stacking energy: -137.262
Base-Backbone interact. energy: -2.223
local terms energy: -155.863914
where:
bonds (distance) C4'-P energy: -27.503
bonds (distance) P-C4' energy: -33.377
flat angles C4'-P-C4' energy: -30.701
flat angles P-C4'-P energy: -21.664
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: 7, replica: 8
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -262.372995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.372995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.372995 (E_RNA)
where:
Base-Base interactions energy: -143.862
where: short stacking energy: -80.706
Base-Backbone interact. energy: -1.126
local terms energy: -117.385338
where:
bonds (distance) C4'-P energy: -27.091
bonds (distance) P-C4' energy: -33.502
flat angles C4'-P-C4' energy: -24.566
flat angles P-C4'-P energy: -20.467
tors. eta vs tors. theta energy: -11.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -323.937338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.937338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.937338 (E_RNA)
where:
Base-Base interactions energy: -189.860
where: short stacking energy: -95.556
Base-Backbone interact. energy: 0.243
local terms energy: -134.320224
where:
bonds (distance) C4'-P energy: -29.954
bonds (distance) P-C4' energy: -35.349
flat angles C4'-P-C4' energy: -29.130
flat angles P-C4'-P energy: -20.382
tors. eta vs tors. theta energy: -19.506
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: 9
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -209.194792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.194792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.194792 (E_RNA)
where:
Base-Base interactions energy: -100.602
where: short stacking energy: -58.784
Base-Backbone interact. energy: -0.407
local terms energy: -108.185741
where:
bonds (distance) C4'-P energy: -27.440
bonds (distance) P-C4' energy: -29.094
flat angles C4'-P-C4' energy: -22.246
flat angles P-C4'-P energy: -20.870
tors. eta vs tors. theta energy: -8.536
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: 4
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -152.435316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.435316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.435316 (E_RNA)
where:
Base-Base interactions energy: -63.219
where: short stacking energy: -59.234
Base-Backbone interact. energy: -0.405
local terms energy: -88.811012
where:
bonds (distance) C4'-P energy: -26.395
bonds (distance) P-C4' energy: -24.918
flat angles C4'-P-C4' energy: -26.383
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -1.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -551.048959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.048959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.048959 (E_RNA)
where:
Base-Base interactions energy: -381.057
where: short stacking energy: -171.547
Base-Backbone interact. energy: -0.361
local terms energy: -169.630567
where:
bonds (distance) C4'-P energy: -27.939
bonds (distance) P-C4' energy: -33.220
flat angles C4'-P-C4' energy: -36.647
flat angles P-C4'-P energy: -22.332
tors. eta vs tors. theta energy: -49.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -515.034044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.034044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.034044 (E_RNA)
where:
Base-Base interactions energy: -361.333
where: short stacking energy: -150.804
Base-Backbone interact. energy: -0.203
local terms energy: -153.497996
where:
bonds (distance) C4'-P energy: -28.391
bonds (distance) P-C4' energy: -27.065
flat angles C4'-P-C4' energy: -32.848
flat angles P-C4'-P energy: -23.227
tors. eta vs tors. theta energy: -41.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -489.125058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.125058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.125058 (E_RNA)
where:
Base-Base interactions energy: -340.818
where: short stacking energy: -153.244
Base-Backbone interact. energy: -1.666
local terms energy: -146.641676
where:
bonds (distance) C4'-P energy: -32.352
bonds (distance) P-C4' energy: -29.751
flat angles C4'-P-C4' energy: -26.044
flat angles P-C4'-P energy: -18.342
tors. eta vs tors. theta energy: -40.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -486.667434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.667434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.667434 (E_RNA)
where:
Base-Base interactions energy: -336.156
where: short stacking energy: -141.613
Base-Backbone interact. energy: 0.079
local terms energy: -150.590387
where:
bonds (distance) C4'-P energy: -28.767
bonds (distance) P-C4' energy: -21.898
flat angles C4'-P-C4' energy: -35.722
flat angles P-C4'-P energy: -22.713
tors. eta vs tors. theta energy: -41.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -430.946660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.946660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.946660 (E_RNA)
where:
Base-Base interactions energy: -284.928
where: short stacking energy: -144.986
Base-Backbone interact. energy: -0.122
local terms energy: -145.897316
where:
bonds (distance) C4'-P energy: -33.377
bonds (distance) P-C4' energy: -28.391
flat angles C4'-P-C4' energy: -28.779
flat angles P-C4'-P energy: -19.042
tors. eta vs tors. theta energy: -36.308
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: 233
Temperature: 1.150000
Total energy: -447.579881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.579881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.579881 (E_RNA)
where:
Base-Base interactions energy: -294.804
where: short stacking energy: -145.717
Base-Backbone interact. energy: -0.769
local terms energy: -152.007409
where:
bonds (distance) C4'-P energy: -26.869
bonds (distance) P-C4' energy: -28.695
flat angles C4'-P-C4' energy: -30.513
flat angles P-C4'-P energy: -23.755
tors. eta vs tors. theta energy: -42.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -264.174328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.174328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.174328 (E_RNA)
where:
Base-Base interactions energy: -153.790
where: short stacking energy: -70.942
Base-Backbone interact. energy: -0.293
local terms energy: -110.091279
where:
bonds (distance) C4'-P energy: -30.395
bonds (distance) P-C4' energy: -21.639
flat angles C4'-P-C4' energy: -23.689
flat angles P-C4'-P energy: -21.439
tors. eta vs tors. theta energy: -12.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -227.366967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.366967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.366967 (E_RNA)
where:
Base-Base interactions energy: -127.833
where: short stacking energy: -80.309
Base-Backbone interact. energy: -1.115
local terms energy: -98.419130
where:
bonds (distance) C4'-P energy: -19.136
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -27.833
flat angles P-C4'-P energy: -18.668
tors. eta vs tors. theta energy: -15.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -287.033644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.033644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.033644 (E_RNA)
where:
Base-Base interactions energy: -164.055
where: short stacking energy: -79.639
Base-Backbone interact. energy: -0.276
local terms energy: -122.703509
where:
bonds (distance) C4'-P energy: -35.005
bonds (distance) P-C4' energy: -21.171
flat angles C4'-P-C4' energy: -31.595
flat angles P-C4'-P energy: -15.720
tors. eta vs tors. theta energy: -19.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -166.092782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.092782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.092782 (E_RNA)
where:
Base-Base interactions energy: -54.363
where: short stacking energy: -54.363
Base-Backbone interact. energy: 0.028
local terms energy: -111.757073
where:
bonds (distance) C4'-P energy: -30.352
bonds (distance) P-C4' energy: -27.795
flat angles C4'-P-C4' energy: -23.051
flat angles P-C4'-P energy: -23.394
tors. eta vs tors. theta energy: -7.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -521.757563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.757563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.757563 (E_RNA)
where:
Base-Base interactions energy: -360.383
where: short stacking energy: -145.397
Base-Backbone interact. energy: -0.885
local terms energy: -160.489318
where:
bonds (distance) C4'-P energy: -29.150
bonds (distance) P-C4' energy: -33.889
flat angles C4'-P-C4' energy: -33.669
flat angles P-C4'-P energy: -23.018
tors. eta vs tors. theta energy: -40.763
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: 6
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -538.172639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.172639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.172639 (E_RNA)
where:
Base-Base interactions energy: -369.358
where: short stacking energy: -159.963
Base-Backbone interact. energy: -0.137
local terms energy: -168.677557
where:
bonds (distance) C4'-P energy: -29.336
bonds (distance) P-C4' energy: -28.766
flat angles C4'-P-C4' energy: -37.620
flat angles P-C4'-P energy: -28.441
tors. eta vs tors. theta energy: -44.514
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: 2
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -504.602988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.602988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.602988 (E_RNA)
where:
Base-Base interactions energy: -337.020
where: short stacking energy: -134.793
Base-Backbone interact. energy: -0.545
local terms energy: -167.038132
where:
bonds (distance) C4'-P energy: -32.993
bonds (distance) P-C4' energy: -32.284
flat angles C4'-P-C4' energy: -30.177
flat angles P-C4'-P energy: -26.955
tors. eta vs tors. theta energy: -44.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -476.678670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.678670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.678670 (E_RNA)
where:
Base-Base interactions energy: -329.379
where: short stacking energy: -141.826
Base-Backbone interact. energy: -1.095
local terms energy: -146.204716
where:
bonds (distance) C4'-P energy: -22.295
bonds (distance) P-C4' energy: -28.949
flat angles C4'-P-C4' energy: -28.838
flat angles P-C4'-P energy: -21.256
tors. eta vs tors. theta energy: -44.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -434.191497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.191497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.191497 (E_RNA)
where:
Base-Base interactions energy: -291.477
where: short stacking energy: -142.098
Base-Backbone interact. energy: 1.759
local terms energy: -144.473397
where:
bonds (distance) C4'-P energy: -27.985
bonds (distance) P-C4' energy: -27.172
flat angles C4'-P-C4' energy: -34.540
flat angles P-C4'-P energy: -18.191
tors. eta vs tors. theta energy: -36.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -430.001625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.001625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.001625 (E_RNA)
where:
Base-Base interactions energy: -269.758
where: short stacking energy: -136.471
Base-Backbone interact. energy: -1.058
local terms energy: -159.185209
where:
bonds (distance) C4'-P energy: -32.159
bonds (distance) P-C4' energy: -32.068
flat angles C4'-P-C4' energy: -30.187
flat angles P-C4'-P energy: -24.174
tors. eta vs tors. theta energy: -40.597
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: 7, replica: 9
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -246.764395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.764395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.764395 (E_RNA)
where:
Base-Base interactions energy: -124.084
where: short stacking energy: -81.254
Base-Backbone interact. energy: 0.726
local terms energy: -123.406303
where:
bonds (distance) C4'-P energy: -24.718
bonds (distance) P-C4' energy: -33.262
flat angles C4'-P-C4' energy: -34.094
flat angles P-C4'-P energy: -19.276
tors. eta vs tors. theta energy: -12.056
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: 8
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -273.202511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.202511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.202511 (E_RNA)
where:
Base-Base interactions energy: -155.955
where: short stacking energy: -83.013
Base-Backbone interact. energy: -0.021
local terms energy: -117.225768
where:
bonds (distance) C4'-P energy: -35.121
bonds (distance) P-C4' energy: -23.399
flat angles C4'-P-C4' energy: -25.052
flat angles P-C4'-P energy: -17.236
tors. eta vs tors. theta energy: -16.418
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: 3
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -298.026934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.026934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.026934 (E_RNA)
where:
Base-Base interactions energy: -193.901
where: short stacking energy: -98.988
Base-Backbone interact. energy: -0.136
local terms energy: -103.989627
where:
bonds (distance) C4'-P energy: -23.330
bonds (distance) P-C4' energy: -17.329
flat angles C4'-P-C4' energy: -28.684
flat angles P-C4'-P energy: -22.614
tors. eta vs tors. theta energy: -12.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -173.727434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.727434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.727434 (E_RNA)
where:
Base-Base interactions energy: -76.368
where: short stacking energy: -69.351
Base-Backbone interact. energy: -0.186
local terms energy: -97.172923
where:
bonds (distance) C4'-P energy: -28.076
bonds (distance) P-C4' energy: -21.336
flat angles C4'-P-C4' energy: -26.442
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -11.579
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: 7
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -521.849914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.849914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.849914 (E_RNA)
where:
Base-Base interactions energy: -355.929
where: short stacking energy: -145.180
Base-Backbone interact. energy: -0.450
local terms energy: -165.471060
where:
bonds (distance) C4'-P energy: -30.768
bonds (distance) P-C4' energy: -33.001
flat angles C4'-P-C4' energy: -33.274
flat angles P-C4'-P energy: -25.429
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: 2, replica: 6
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -537.232126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.232126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.232126 (E_RNA)
where:
Base-Base interactions energy: -363.472
where: short stacking energy: -167.584
Base-Backbone interact. energy: 0.008
local terms energy: -173.767627
where:
bonds (distance) C4'-P energy: -25.354
bonds (distance) P-C4' energy: -38.863
flat angles C4'-P-C4' energy: -36.410
flat angles P-C4'-P energy: -27.373
tors. eta vs tors. theta energy: -45.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -504.403598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.403598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.403598 (E_RNA)
where:
Base-Base interactions energy: -335.038
where: short stacking energy: -148.540
Base-Backbone interact. energy: -0.105
local terms energy: -169.260193
where:
bonds (distance) C4'-P energy: -32.617
bonds (distance) P-C4' energy: -29.565
flat angles C4'-P-C4' energy: -33.795
flat angles P-C4'-P energy: -27.485
tors. eta vs tors. theta energy: -45.798
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: 1
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -444.118929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.118929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.118929 (E_RNA)
where:
Base-Base interactions energy: -294.582
where: short stacking energy: -132.316
Base-Backbone interact. energy: -1.174
local terms energy: -148.363038
where:
bonds (distance) C4'-P energy: -34.012
bonds (distance) P-C4' energy: -22.574
flat angles C4'-P-C4' energy: -27.080
flat angles P-C4'-P energy: -27.540
tors. eta vs tors. theta energy: -37.157
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: 10
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -475.324802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.324802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.324802 (E_RNA)
where:
Base-Base interactions energy: -325.379
where: short stacking energy: -140.752
Base-Backbone interact. energy: 1.030
local terms energy: -150.974975
where:
bonds (distance) C4'-P energy: -27.273
bonds (distance) P-C4' energy: -34.786
flat angles C4'-P-C4' energy: -26.839
flat angles P-C4'-P energy: -18.344
tors. eta vs tors. theta energy: -43.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -414.639383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.639383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.639383 (E_RNA)
where:
Base-Base interactions energy: -277.406
where: short stacking energy: -122.200
Base-Backbone interact. energy: -1.153
local terms energy: -136.080713
where:
bonds (distance) C4'-P energy: -22.267
bonds (distance) P-C4' energy: -25.908
flat angles C4'-P-C4' energy: -32.310
flat angles P-C4'-P energy: -19.714
tors. eta vs tors. theta energy: -35.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -249.390210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.390210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.390210 (E_RNA)
where:
Base-Base interactions energy: -136.140
where: short stacking energy: -66.124
Base-Backbone interact. energy: -0.506
local terms energy: -112.743603
where:
bonds (distance) C4'-P energy: -24.188
bonds (distance) P-C4' energy: -30.898
flat angles C4'-P-C4' energy: -25.398
flat angles P-C4'-P energy: -24.990
tors. eta vs tors. theta energy: -7.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -312.777445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.777445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.777445 (E_RNA)
where:
Base-Base interactions energy: -200.568
where: short stacking energy: -85.804
Base-Backbone interact. energy: -0.168
local terms energy: -112.041227
where:
bonds (distance) C4'-P energy: -30.280
bonds (distance) P-C4' energy: -27.853
flat angles C4'-P-C4' energy: -25.842
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -18.237
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: 9, replica: 8
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -265.963072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.963072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.963072 (E_RNA)
where:
Base-Base interactions energy: -149.839
where: short stacking energy: -98.247
Base-Backbone interact. energy: -0.790
local terms energy: -115.333806
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -29.900
flat angles C4'-P-C4' energy: -21.914
flat angles P-C4'-P energy: -20.768
tors. eta vs tors. theta energy: -27.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -151.831081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.831081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.831081 (E_RNA)
where:
Base-Base interactions energy: -50.397
where: short stacking energy: -49.404
Base-Backbone interact. energy: -0.339
local terms energy: -101.094312
where:
bonds (distance) C4'-P energy: -24.053
bonds (distance) P-C4' energy: -31.400
flat angles C4'-P-C4' energy: -25.098
flat angles P-C4'-P energy: -18.314
tors. eta vs tors. theta energy: -2.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -556.263824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.263824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.263824 (E_RNA)
where:
Base-Base interactions energy: -380.121
where: short stacking energy: -173.741
Base-Backbone interact. energy: -0.582
local terms energy: -175.561430
where:
bonds (distance) C4'-P energy: -26.526
bonds (distance) P-C4' energy: -35.188
flat angles C4'-P-C4' energy: -34.384
flat angles P-C4'-P energy: -29.980
tors. eta vs tors. theta energy: -49.484
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: 2, replica: 7
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -507.022960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.022960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.022960 (E_RNA)
where:
Base-Base interactions energy: -347.759
where: short stacking energy: -138.677
Base-Backbone interact. energy: -0.800
local terms energy: -158.463735
where:
bonds (distance) C4'-P energy: -29.659
bonds (distance) P-C4' energy: -33.862
flat angles C4'-P-C4' energy: -34.516
flat angles P-C4'-P energy: -24.087
tors. eta vs tors. theta energy: -36.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -504.148094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.148094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.148094 (E_RNA)
where:
Base-Base interactions energy: -330.780
where: short stacking energy: -152.288
Base-Backbone interact. energy: -0.027
local terms energy: -173.341820
where:
bonds (distance) C4'-P energy: -30.107
bonds (distance) P-C4' energy: -35.217
flat angles C4'-P-C4' energy: -36.155
flat angles P-C4'-P energy: -22.282
tors. eta vs tors. theta energy: -49.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -453.447747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.447747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.447747 (E_RNA)
where:
Base-Base interactions energy: -289.921
where: short stacking energy: -151.902
Base-Backbone interact. energy: -0.046
local terms energy: -163.481162
where:
bonds (distance) C4'-P energy: -30.883
bonds (distance) P-C4' energy: -31.494
flat angles C4'-P-C4' energy: -32.683
flat angles P-C4'-P energy: -25.238
tors. eta vs tors. theta energy: -43.183
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: 5, replica: 10
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -475.660313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.660313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.660313 (E_RNA)
where:
Base-Base interactions energy: -323.179
where: short stacking energy: -138.594
Base-Backbone interact. energy: -0.510
local terms energy: -151.971636
where:
bonds (distance) C4'-P energy: -26.339
bonds (distance) P-C4' energy: -28.375
flat angles C4'-P-C4' energy: -34.766
flat angles P-C4'-P energy: -25.938
tors. eta vs tors. theta energy: -36.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -416.088556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.088556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.088556 (E_RNA)
where:
Base-Base interactions energy: -270.921
where: short stacking energy: -126.568
Base-Backbone interact. energy: -3.538
local terms energy: -141.629483
where:
bonds (distance) C4'-P energy: -25.665
bonds (distance) P-C4' energy: -29.325
flat angles C4'-P-C4' energy: -31.385
flat angles P-C4'-P energy: -20.227
tors. eta vs tors. theta energy: -35.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -334.130998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.130998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.130998 (E_RNA)
where:
Base-Base interactions energy: -213.858
where: short stacking energy: -97.683
Base-Backbone interact. energy: -1.389
local terms energy: -118.884108
where:
bonds (distance) C4'-P energy: -28.149
bonds (distance) P-C4' energy: -31.781
flat angles C4'-P-C4' energy: -26.974
flat angles P-C4'-P energy: -19.663
tors. eta vs tors. theta energy: -12.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -221.852643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.852643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.852643 (E_RNA)
where:
Base-Base interactions energy: -104.911
where: short stacking energy: -57.560
Base-Backbone interact. energy: -0.217
local terms energy: -116.724366
where:
bonds (distance) C4'-P energy: -32.579
bonds (distance) P-C4' energy: -34.228
flat angles C4'-P-C4' energy: -23.759
flat angles P-C4'-P energy: -20.448
tors. eta vs tors. theta energy: -5.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -233.090629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.090629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.090629 (E_RNA)
where:
Base-Base interactions energy: -120.912
where: short stacking energy: -72.086
Base-Backbone interact. energy: -1.300
local terms energy: -110.878112
where:
bonds (distance) C4'-P energy: -28.749
bonds (distance) P-C4' energy: -31.981
flat angles C4'-P-C4' energy: -30.703
flat angles P-C4'-P energy: -15.025
tors. eta vs tors. theta energy: -4.420
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: 4
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -160.534500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.534500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.534500 (E_RNA)
where:
Base-Base interactions energy: -61.604
where: short stacking energy: -35.865
Base-Backbone interact. energy: -0.612
local terms energy: -98.318988
where:
bonds (distance) C4'-P energy: -31.890
bonds (distance) P-C4' energy: -25.811
flat angles C4'-P-C4' energy: -22.953
flat angles P-C4'-P energy: -17.398
tors. eta vs tors. theta energy: -0.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -541.236001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.236001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.236001 (E_RNA)
where:
Base-Base interactions energy: -372.924
where: short stacking energy: -160.462
Base-Backbone interact. energy: -0.403
local terms energy: -167.909056
where:
bonds (distance) C4'-P energy: -30.097
bonds (distance) P-C4' energy: -27.027
flat angles C4'-P-C4' energy: -34.313
flat angles P-C4'-P energy: -28.430
tors. eta vs tors. theta energy: -48.042
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: 2, replica: 7
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -526.449620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.449620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.449620 (E_RNA)
where:
Base-Base interactions energy: -360.516
where: short stacking energy: -142.995
Base-Backbone interact. energy: -0.756
local terms energy: -165.178569
where:
bonds (distance) C4'-P energy: -32.589
bonds (distance) P-C4' energy: -32.968
flat angles C4'-P-C4' energy: -36.217
flat angles P-C4'-P energy: -24.706
tors. eta vs tors. theta energy: -38.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -509.582971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.582971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.582971 (E_RNA)
where:
Base-Base interactions energy: -346.505
where: short stacking energy: -149.212
Base-Backbone interact. energy: -0.092
local terms energy: -162.986441
where:
bonds (distance) C4'-P energy: -28.666
bonds (distance) P-C4' energy: -30.745
flat angles C4'-P-C4' energy: -33.768
flat angles P-C4'-P energy: -25.229
tors. eta vs tors. theta energy: -44.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -455.089245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.089245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.089245 (E_RNA)
where:
Base-Base interactions energy: -289.897
where: short stacking energy: -138.837
Base-Backbone interact. energy: -3.051
local terms energy: -162.140828
where:
bonds (distance) C4'-P energy: -32.936
bonds (distance) P-C4' energy: -31.323
flat angles C4'-P-C4' energy: -38.186
flat angles P-C4'-P energy: -22.696
tors. eta vs tors. theta energy: -37.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -469.712219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.712219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.712219 (E_RNA)
where:
Base-Base interactions energy: -308.768
where: short stacking energy: -137.898
Base-Backbone interact. energy: -4.481
local terms energy: -156.463535
where:
bonds (distance) C4'-P energy: -25.955
bonds (distance) P-C4' energy: -36.903
flat angles C4'-P-C4' energy: -35.476
flat angles P-C4'-P energy: -21.147
tors. eta vs tors. theta energy: -36.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -425.547501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.547501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.547501 (E_RNA)
where:
Base-Base interactions energy: -274.956
where: short stacking energy: -126.067
Base-Backbone interact. energy: -0.423
local terms energy: -150.168574
where:
bonds (distance) C4'-P energy: -25.501
bonds (distance) P-C4' energy: -28.805
flat angles C4'-P-C4' energy: -35.492
flat angles P-C4'-P energy: -18.381
tors. eta vs tors. theta energy: -41.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -336.936508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.936508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.936508 (E_RNA)
where:
Base-Base interactions energy: -211.415
where: short stacking energy: -92.511
Base-Backbone interact. energy: -1.360
local terms energy: -124.161208
where:
bonds (distance) C4'-P energy: -28.033
bonds (distance) P-C4' energy: -33.209
flat angles C4'-P-C4' energy: -25.401
flat angles P-C4'-P energy: -22.764
tors. eta vs tors. theta energy: -14.755
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: 8
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -226.434902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.434902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.434902 (E_RNA)
where:
Base-Base interactions energy: -127.278
where: short stacking energy: -76.131
Base-Backbone interact. energy: -0.452
local terms energy: -98.705477
where:
bonds (distance) C4'-P energy: -23.885
bonds (distance) P-C4' energy: -34.520
flat angles C4'-P-C4' energy: -19.483
flat angles P-C4'-P energy: -8.073
tors. eta vs tors. theta energy: -12.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -226.030120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.030120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.030120 (E_RNA)
where:
Base-Base interactions energy: -103.222
where: short stacking energy: -58.716
Base-Backbone interact. energy: 1.352
local terms energy: -124.159975
where:
bonds (distance) C4'-P energy: -28.722
bonds (distance) P-C4' energy: -31.185
flat angles C4'-P-C4' energy: -32.601
flat angles P-C4'-P energy: -19.509
tors. eta vs tors. theta energy: -12.143
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: 4
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -156.387421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.387421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.387421 (E_RNA)
where:
Base-Base interactions energy: -65.675
where: short stacking energy: -53.156
Base-Backbone interact. energy: -0.324
local terms energy: -90.388626
where:
bonds (distance) C4'-P energy: -10.991
bonds (distance) P-C4' energy: -33.152
flat angles C4'-P-C4' energy: -23.623
flat angles P-C4'-P energy: -19.197
tors. eta vs tors. theta energy: -3.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -548.450407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.450407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.450407 (E_RNA)
where:
Base-Base interactions energy: -374.498
where: short stacking energy: -166.179
Base-Backbone interact. energy: -0.641
local terms energy: -173.311595
where:
bonds (distance) C4'-P energy: -28.057
bonds (distance) P-C4' energy: -34.802
flat angles C4'-P-C4' energy: -33.187
flat angles P-C4'-P energy: -29.811
tors. eta vs tors. theta energy: -47.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -516.336907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.336907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.336907 (E_RNA)
where:
Base-Base interactions energy: -345.885
where: short stacking energy: -154.244
Base-Backbone interact. energy: -0.145
local terms energy: -170.306848
where:
bonds (distance) C4'-P energy: -32.511
bonds (distance) P-C4' energy: -30.367
flat angles C4'-P-C4' energy: -40.068
flat angles P-C4'-P energy: -24.416
tors. eta vs tors. theta energy: -42.945
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: 2
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -515.584412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.584412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.584412 (E_RNA)
where:
Base-Base interactions energy: -356.845
where: short stacking energy: -159.776
Base-Backbone interact. energy: -1.523
local terms energy: -157.216452
where:
bonds (distance) C4'-P energy: -27.668
bonds (distance) P-C4' energy: -27.922
flat angles C4'-P-C4' energy: -27.189
flat angles P-C4'-P energy: -25.962
tors. eta vs tors. theta energy: -48.476
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: 1
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -433.254432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.254432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.254432 (E_RNA)
where:
Base-Base interactions energy: -294.664
where: short stacking energy: -128.567
Base-Backbone interact. energy: -0.910
local terms energy: -137.680129
where:
bonds (distance) C4'-P energy: -31.419
bonds (distance) P-C4' energy: -23.994
flat angles C4'-P-C4' energy: -25.561
flat angles P-C4'-P energy: -21.399
tors. eta vs tors. theta energy: -35.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -474.534600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.534600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.534600 (E_RNA)
where:
Base-Base interactions energy: -324.507
where: short stacking energy: -135.247
Base-Backbone interact. energy: 1.662
local terms energy: -151.690034
where:
bonds (distance) C4'-P energy: -31.731
bonds (distance) P-C4' energy: -26.536
flat angles C4'-P-C4' energy: -35.534
flat angles P-C4'-P energy: -22.525
tors. eta vs tors. theta energy: -35.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -415.837123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.837123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.837123 (E_RNA)
where:
Base-Base interactions energy: -264.268
where: short stacking energy: -109.328
Base-Backbone interact. energy: -0.850
local terms energy: -150.719781
where:
bonds (distance) C4'-P energy: -30.083
bonds (distance) P-C4' energy: -36.730
flat angles C4'-P-C4' energy: -31.358
flat angles P-C4'-P energy: -18.710
tors. eta vs tors. theta energy: -33.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -357.190043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.190043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.190043 (E_RNA)
where:
Base-Base interactions energy: -228.192
where: short stacking energy: -105.689
Base-Backbone interact. energy: -0.933
local terms energy: -128.065777
where:
bonds (distance) C4'-P energy: -24.781
bonds (distance) P-C4' energy: -28.735
flat angles C4'-P-C4' energy: -29.739
flat angles P-C4'-P energy: -20.815
tors. eta vs tors. theta energy: -23.995
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: 8, replica: 8
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -238.093594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.093594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.093594 (E_RNA)
where:
Base-Base interactions energy: -124.912
where: short stacking energy: -70.319
Base-Backbone interact. energy: -0.857
local terms energy: -112.324691
where:
bonds (distance) C4'-P energy: -31.567
bonds (distance) P-C4' energy: -26.952
flat angles C4'-P-C4' energy: -22.172
flat angles P-C4'-P energy: -16.239
tors. eta vs tors. theta energy: -15.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -182.159205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.159205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.159205 (E_RNA)
where:
Base-Base interactions energy: -93.922
where: short stacking energy: -61.847
Base-Backbone interact. energy: -1.097
local terms energy: -87.140134
where:
bonds (distance) C4'-P energy: -25.283
bonds (distance) P-C4' energy: -32.257
flat angles C4'-P-C4' energy: -25.463
flat angles P-C4'-P energy: -13.085
tors. eta vs tors. theta energy: 8.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -177.855335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.855335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.855335 (E_RNA)
where:
Base-Base interactions energy: -73.392
where: short stacking energy: -39.576
Base-Backbone interact. energy: -0.370
local terms energy: -104.093651
where:
bonds (distance) C4'-P energy: -29.620
bonds (distance) P-C4' energy: -33.450
flat angles C4'-P-C4' energy: -20.036
flat angles P-C4'-P energy: -22.673
tors. eta vs tors. theta energy: 1.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -548.916259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.916259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.916259 (E_RNA)
where:
Base-Base interactions energy: -372.453
where: short stacking energy: -165.239
Base-Backbone interact. energy: -0.205
local terms energy: -176.258601
where:
bonds (distance) C4'-P energy: -34.454
bonds (distance) P-C4' energy: -32.896
flat angles C4'-P-C4' energy: -32.945
flat angles P-C4'-P energy: -29.934
tors. eta vs tors. theta energy: -46.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -513.968621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.968621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.968621 (E_RNA)
where:
Base-Base interactions energy: -353.803
where: short stacking energy: -134.276
Base-Backbone interact. energy: -0.686
local terms energy: -159.480078
where:
bonds (distance) C4'-P energy: -34.333
bonds (distance) P-C4' energy: -31.803
flat angles C4'-P-C4' energy: -35.470
flat angles P-C4'-P energy: -19.125
tors. eta vs tors. theta energy: -38.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -524.821332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.821332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.821332 (E_RNA)
where:
Base-Base interactions energy: -352.677
where: short stacking energy: -148.133
Base-Backbone interact. energy: -1.811
local terms energy: -170.334131
where:
bonds (distance) C4'-P energy: -28.527
bonds (distance) P-C4' energy: -36.570
flat angles C4'-P-C4' energy: -36.265
flat angles P-C4'-P energy: -17.639
tors. eta vs tors. theta energy: -51.333
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: 10
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -487.657995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.657995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.657995 (E_RNA)
where:
Base-Base interactions energy: -332.203
where: short stacking energy: -141.713
Base-Backbone interact. energy: -0.856
local terms energy: -154.599593
where:
bonds (distance) C4'-P energy: -29.674
bonds (distance) P-C4' energy: -34.661
flat angles C4'-P-C4' energy: -26.810
flat angles P-C4'-P energy: -24.139
tors. eta vs tors. theta energy: -39.316
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: 1
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -437.134051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.134051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.134051 (E_RNA)
where:
Base-Base interactions energy: -288.333
where: short stacking energy: -128.476
Base-Backbone interact. energy: -4.283
local terms energy: -144.518323
where:
bonds (distance) C4'-P energy: -29.194
bonds (distance) P-C4' energy: -29.421
flat angles C4'-P-C4' energy: -29.780
flat angles P-C4'-P energy: -21.553
tors. eta vs tors. theta energy: -34.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -408.892577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.892577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.892577 (E_RNA)
where:
Base-Base interactions energy: -255.052
where: short stacking energy: -132.429
Base-Backbone interact. energy: -0.755
local terms energy: -153.085675
where:
bonds (distance) C4'-P energy: -29.593
bonds (distance) P-C4' energy: -32.710
flat angles C4'-P-C4' energy: -28.204
flat angles P-C4'-P energy: -25.221
tors. eta vs tors. theta energy: -37.358
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: 3
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -335.117946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.117946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.117946 (E_RNA)
where:
Base-Base interactions energy: -212.750
where: short stacking energy: -116.302
Base-Backbone interact. energy: 1.547
local terms energy: -123.914980
where:
bonds (distance) C4'-P energy: -21.612
bonds (distance) P-C4' energy: -31.666
flat angles C4'-P-C4' energy: -26.747
flat angles P-C4'-P energy: -20.529
tors. eta vs tors. theta energy: -23.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -238.272907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.272907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.272907 (E_RNA)
where:
Base-Base interactions energy: -120.184
where: short stacking energy: -75.162
Base-Backbone interact. energy: -0.396
local terms energy: -117.692692
where:
bonds (distance) C4'-P energy: -31.059
bonds (distance) P-C4' energy: -35.233
flat angles C4'-P-C4' energy: -18.643
flat angles P-C4'-P energy: -20.369
tors. eta vs tors. theta energy: -12.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -158.188135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.188135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.188135 (E_RNA)
where:
Base-Base interactions energy: -60.284
where: short stacking energy: -52.477
Base-Backbone interact. energy: 0.040
local terms energy: -97.943429
where:
bonds (distance) C4'-P energy: -35.128
bonds (distance) P-C4' energy: -25.457
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -26.666
tors. eta vs tors. theta energy: 6.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -171.111975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.111975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.111975 (E_RNA)
where:
Base-Base interactions energy: -81.779
where: short stacking energy: -52.620
Base-Backbone interact. energy: -0.162
local terms energy: -89.171556
where:
bonds (distance) C4'-P energy: -22.297
bonds (distance) P-C4' energy: -26.138
flat angles C4'-P-C4' energy: -20.025
flat angles P-C4'-P energy: -17.249
tors. eta vs tors. theta energy: -3.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -551.502819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.502819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.502819 (E_RNA)
where:
Base-Base interactions energy: -380.734
where: short stacking energy: -167.151
Base-Backbone interact. energy: -0.074
local terms energy: -170.695301
where:
bonds (distance) C4'-P energy: -35.475
bonds (distance) P-C4' energy: -28.320
flat angles C4'-P-C4' energy: -36.972
flat angles P-C4'-P energy: -20.745
tors. eta vs tors. theta energy: -49.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -510.703513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.703513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.703513 (E_RNA)
where:
Base-Base interactions energy: -355.375
where: short stacking energy: -147.631
Base-Backbone interact. energy: -2.785
local terms energy: -152.543389
where:
bonds (distance) C4'-P energy: -30.528
bonds (distance) P-C4' energy: -30.013
flat angles C4'-P-C4' energy: -30.316
flat angles P-C4'-P energy: -23.723
tors. eta vs tors. theta energy: -37.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -532.421917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.421917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.421917 (E_RNA)
where:
Base-Base interactions energy: -356.152
where: short stacking energy: -166.149
Base-Backbone interact. energy: -0.151
local terms energy: -176.119593
where:
bonds (distance) C4'-P energy: -28.124
bonds (distance) P-C4' energy: -28.844
flat angles C4'-P-C4' energy: -38.302
flat angles P-C4'-P energy: -24.832
tors. eta vs tors. theta energy: -56.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -477.920087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.920087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.920087 (E_RNA)
where:
Base-Base interactions energy: -329.500
where: short stacking energy: -153.296
Base-Backbone interact. energy: -2.004
local terms energy: -146.415672
where:
bonds (distance) C4'-P energy: -27.964
bonds (distance) P-C4' energy: -26.422
flat angles C4'-P-C4' energy: -29.903
flat angles P-C4'-P energy: -17.505
tors. eta vs tors. theta energy: -44.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -413.673683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.673683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.673683 (E_RNA)
where:
Base-Base interactions energy: -283.164
where: short stacking energy: -129.703
Base-Backbone interact. energy: -0.883
local terms energy: -129.626416
where:
bonds (distance) C4'-P energy: -27.997
bonds (distance) P-C4' energy: -22.331
flat angles C4'-P-C4' energy: -30.051
flat angles P-C4'-P energy: -18.353
tors. eta vs tors. theta energy: -30.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -417.274871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.274871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.274871 (E_RNA)
where:
Base-Base interactions energy: -271.133
where: short stacking energy: -124.691
Base-Backbone interact. energy: -0.275
local terms energy: -145.866953
where:
bonds (distance) C4'-P energy: -29.655
bonds (distance) P-C4' energy: -36.988
flat angles C4'-P-C4' energy: -24.313
flat angles P-C4'-P energy: -21.624
tors. eta vs tors. theta energy: -33.288
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: 240
Temperature: 1.200000
Total energy: -344.244421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.244421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.244421 (E_RNA)
where:
Base-Base interactions energy: -225.906
where: short stacking energy: -108.899
Base-Backbone interact. energy: 2.157
local terms energy: -120.495747
where:
bonds (distance) C4'-P energy: -26.247
bonds (distance) P-C4' energy: -23.857
flat angles C4'-P-C4' energy: -26.412
flat angles P-C4'-P energy: -15.160
tors. eta vs tors. theta energy: -28.819
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: 8
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -233.244421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.244421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.244421 (E_RNA)
where:
Base-Base interactions energy: -127.031
where: short stacking energy: -80.412
Base-Backbone interact. energy: -1.173
local terms energy: -105.040470
where:
bonds (distance) C4'-P energy: -34.565
bonds (distance) P-C4' energy: -22.229
flat angles C4'-P-C4' energy: -21.147
flat angles P-C4'-P energy: -17.954
tors. eta vs tors. theta energy: -9.146
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: 9, replica: 9
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -169.380367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.380367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.380367 (E_RNA)
where:
Base-Base interactions energy: -92.245
where: short stacking energy: -42.274
Base-Backbone interact. energy: 1.094
local terms energy: -78.229234
where:
bonds (distance) C4'-P energy: -19.594
bonds (distance) P-C4' energy: -24.078
flat angles C4'-P-C4' energy: -27.828
flat angles P-C4'-P energy: -16.648
tors. eta vs tors. theta energy: 9.919
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: 4
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -144.402923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.402923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.402923 (E_RNA)
where:
Base-Base interactions energy: -66.107
where: short stacking energy: -56.183
Base-Backbone interact. energy: -0.947
local terms energy: -77.349184
where:
bonds (distance) C4'-P energy: -16.440
bonds (distance) P-C4' energy: -29.753
flat angles C4'-P-C4' energy: -21.226
flat angles P-C4'-P energy: -12.033
tors. eta vs tors. theta energy: 2.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -541.840044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.840044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.840044 (E_RNA)
where:
Base-Base interactions energy: -379.727
where: short stacking energy: -166.126
Base-Backbone interact. energy: -1.165
local terms energy: -160.948013
where:
bonds (distance) C4'-P energy: -32.141
bonds (distance) P-C4' energy: -32.013
flat angles C4'-P-C4' energy: -29.524
flat angles P-C4'-P energy: -22.705
tors. eta vs tors. theta energy: -44.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -537.353961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.353961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.353961 (E_RNA)
where:
Base-Base interactions energy: -365.136
where: short stacking energy: -162.663
Base-Backbone interact. energy: -1.052
local terms energy: -171.166443
where:
bonds (distance) C4'-P energy: -25.911
bonds (distance) P-C4' energy: -37.611
flat angles C4'-P-C4' energy: -30.552
flat angles P-C4'-P energy: -27.203
tors. eta vs tors. theta energy: -49.889
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: 7
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -502.245159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.245159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.245159 (E_RNA)
where:
Base-Base interactions energy: -337.910
where: short stacking energy: -132.298
Base-Backbone interact. energy: -1.681
local terms energy: -162.654005
where:
bonds (distance) C4'-P energy: -30.189
bonds (distance) P-C4' energy: -34.845
flat angles C4'-P-C4' energy: -30.726
flat angles P-C4'-P energy: -23.182
tors. eta vs tors. theta energy: -43.712
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: 10
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -486.743662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.743662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.743662 (E_RNA)
where:
Base-Base interactions energy: -323.506
where: short stacking energy: -141.366
Base-Backbone interact. energy: -0.260
local terms energy: -162.977494
where:
bonds (distance) C4'-P energy: -32.731
bonds (distance) P-C4' energy: -35.701
flat angles C4'-P-C4' energy: -31.706
flat angles P-C4'-P energy: -23.195
tors. eta vs tors. theta energy: -39.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -418.776015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.776015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.776015 (E_RNA)
where:
Base-Base interactions energy: -286.548
where: short stacking energy: -114.104
Base-Backbone interact. energy: 0.494
local terms energy: -132.721595
where:
bonds (distance) C4'-P energy: -25.355
bonds (distance) P-C4' energy: -29.034
flat angles C4'-P-C4' energy: -28.540
flat angles P-C4'-P energy: -18.471
tors. eta vs tors. theta energy: -31.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -376.609307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.609307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.609307 (E_RNA)
where:
Base-Base interactions energy: -226.768
where: short stacking energy: -115.258
Base-Backbone interact. energy: 0.215
local terms energy: -150.056306
where:
bonds (distance) C4'-P energy: -27.792
bonds (distance) P-C4' energy: -35.542
flat angles C4'-P-C4' energy: -32.105
flat angles P-C4'-P energy: -22.315
tors. eta vs tors. theta energy: -32.303
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: 5
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -345.920695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.920695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.920695 (E_RNA)
where:
Base-Base interactions energy: -219.976
where: short stacking energy: -100.703
Base-Backbone interact. energy: 4.352
local terms energy: -130.296692
where:
bonds (distance) C4'-P energy: -29.008
bonds (distance) P-C4' energy: -25.175
flat angles C4'-P-C4' energy: -27.184
flat angles P-C4'-P energy: -26.956
tors. eta vs tors. theta energy: -21.974
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: 8
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -237.981163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.981163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.981163 (E_RNA)
where:
Base-Base interactions energy: -131.567
where: short stacking energy: -86.533
Base-Backbone interact. energy: -2.223
local terms energy: -104.191339
where:
bonds (distance) C4'-P energy: -32.377
bonds (distance) P-C4' energy: -20.082
flat angles C4'-P-C4' energy: -24.005
flat angles P-C4'-P energy: -18.543
tors. eta vs tors. theta energy: -9.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -177.029678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.029678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.029678 (E_RNA)
where:
Base-Base interactions energy: -92.172
where: short stacking energy: -64.833
Base-Backbone interact. energy: 1.175
local terms energy: -86.033041
where:
bonds (distance) C4'-P energy: -23.668
bonds (distance) P-C4' energy: -26.054
flat angles C4'-P-C4' energy: -25.788
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: 1.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -150.833732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.833732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.833732 (E_RNA)
where:
Base-Base interactions energy: -54.697
where: short stacking energy: -38.611
Base-Backbone interact. energy: -0.404
local terms energy: -95.732014
where:
bonds (distance) C4'-P energy: -30.277
bonds (distance) P-C4' energy: -26.730
flat angles C4'-P-C4' energy: -22.666
flat angles P-C4'-P energy: -16.696
tors. eta vs tors. theta energy: 0.637
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: 6
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -540.320768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.320768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.320768 (E_RNA)
where:
Base-Base interactions energy: -369.234
where: short stacking energy: -164.257
Base-Backbone interact. energy: -1.759
local terms energy: -169.328447
where:
bonds (distance) C4'-P energy: -34.631
bonds (distance) P-C4' energy: -39.474
flat angles C4'-P-C4' energy: -37.123
flat angles P-C4'-P energy: -16.187
tors. eta vs tors. theta energy: -41.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -522.822584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.822584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.822584 (E_RNA)
where:
Base-Base interactions energy: -357.751
where: short stacking energy: -164.092
Base-Backbone interact. energy: -0.141
local terms energy: -164.930256
where:
bonds (distance) C4'-P energy: -34.280
bonds (distance) P-C4' energy: -31.008
flat angles C4'-P-C4' energy: -31.299
flat angles P-C4'-P energy: -20.647
tors. eta vs tors. theta energy: -47.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -497.546423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.546423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.546423 (E_RNA)
where:
Base-Base interactions energy: -348.881
where: short stacking energy: -127.382
Base-Backbone interact. energy: -1.595
local terms energy: -147.070729
where:
bonds (distance) C4'-P energy: -31.964
bonds (distance) P-C4' energy: -27.084
flat angles C4'-P-C4' energy: -29.281
flat angles P-C4'-P energy: -18.228
tors. eta vs tors. theta energy: -40.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -505.615280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.615280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.615280 (E_RNA)
where:
Base-Base interactions energy: -337.044
where: short stacking energy: -148.917
Base-Backbone interact. energy: -2.202
local terms energy: -166.369246
where:
bonds (distance) C4'-P energy: -30.621
bonds (distance) P-C4' energy: -33.110
flat angles C4'-P-C4' energy: -32.751
flat angles P-C4'-P energy: -25.562
tors. eta vs tors. theta energy: -44.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -418.734136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.734136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.734136 (E_RNA)
where:
Base-Base interactions energy: -283.096
where: short stacking energy: -116.865
Base-Backbone interact. energy: 1.257
local terms energy: -136.895200
where:
bonds (distance) C4'-P energy: -30.022
bonds (distance) P-C4' energy: -23.296
flat angles C4'-P-C4' energy: -28.961
flat angles P-C4'-P energy: -23.528
tors. eta vs tors. theta energy: -31.089
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: 3
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -355.216914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.216914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.216914 (E_RNA)
where:
Base-Base interactions energy: -231.264
where: short stacking energy: -114.864
Base-Backbone interact. energy: -1.207
local terms energy: -122.746266
where:
bonds (distance) C4'-P energy: -19.385
bonds (distance) P-C4' energy: -35.331
flat angles C4'-P-C4' energy: -26.156
flat angles P-C4'-P energy: -15.318
tors. eta vs tors. theta energy: -26.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -344.855758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.855758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.855758 (E_RNA)
where:
Base-Base interactions energy: -229.612
where: short stacking energy: -108.909
Base-Backbone interact. energy: 2.687
local terms energy: -117.930442
where:
bonds (distance) C4'-P energy: -21.580
bonds (distance) P-C4' energy: -26.197
flat angles C4'-P-C4' energy: -28.498
flat angles P-C4'-P energy: -18.417
tors. eta vs tors. theta energy: -23.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -235.294315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.294315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.294315 (E_RNA)
where:
Base-Base interactions energy: -114.083
where: short stacking energy: -63.499
Base-Backbone interact. energy: -0.489
local terms energy: -120.722361
where:
bonds (distance) C4'-P energy: -29.989
bonds (distance) P-C4' energy: -24.302
flat angles C4'-P-C4' energy: -29.297
flat angles P-C4'-P energy: -20.641
tors. eta vs tors. theta energy: -16.493
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: 9
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -160.810621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.810621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.810621 (E_RNA)
where:
Base-Base interactions energy: -66.637
where: short stacking energy: -49.159
Base-Backbone interact. energy: -0.349
local terms energy: -93.824740
where:
bonds (distance) C4'-P energy: -32.780
bonds (distance) P-C4' energy: -32.551
flat angles C4'-P-C4' energy: -22.005
flat angles P-C4'-P energy: -13.097
tors. eta vs tors. theta energy: 6.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -146.851298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.851298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.851298 (E_RNA)
where:
Base-Base interactions energy: -55.656
where: short stacking energy: -50.940
Base-Backbone interact. energy: -0.243
local terms energy: -90.952850
where:
bonds (distance) C4'-P energy: -19.946
bonds (distance) P-C4' energy: -29.789
flat angles C4'-P-C4' energy: -25.112
flat angles P-C4'-P energy: -15.591
tors. eta vs tors. theta energy: -0.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -554.688848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.688848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.688848 (E_RNA)
where:
Base-Base interactions energy: -372.598
where: short stacking energy: -169.145
Base-Backbone interact. energy: -1.228
local terms energy: -180.862597
where:
bonds (distance) C4'-P energy: -31.505
bonds (distance) P-C4' energy: -33.160
flat angles C4'-P-C4' energy: -38.749
flat angles P-C4'-P energy: -28.667
tors. eta vs tors. theta energy: -48.782
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: 2
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -520.566739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.566739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.566739 (E_RNA)
where:
Base-Base interactions energy: -356.828
where: short stacking energy: -157.601
Base-Backbone interact. energy: -1.409
local terms energy: -162.329918
where:
bonds (distance) C4'-P energy: -29.384
bonds (distance) P-C4' energy: -26.634
flat angles C4'-P-C4' energy: -37.449
flat angles P-C4'-P energy: -25.132
tors. eta vs tors. theta energy: -43.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -502.148009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.148009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.148009 (E_RNA)
where:
Base-Base interactions energy: -336.777
where: short stacking energy: -125.990
Base-Backbone interact. energy: -1.242
local terms energy: -164.128544
where:
bonds (distance) C4'-P energy: -33.816
bonds (distance) P-C4' energy: -32.639
flat angles C4'-P-C4' energy: -33.513
flat angles P-C4'-P energy: -24.193
tors. eta vs tors. theta energy: -39.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -507.687390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.687390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.687390 (E_RNA)
where:
Base-Base interactions energy: -348.320
where: short stacking energy: -143.477
Base-Backbone interact. energy: -0.259
local terms energy: -159.108597
where:
bonds (distance) C4'-P energy: -32.967
bonds (distance) P-C4' energy: -27.497
flat angles C4'-P-C4' energy: -31.767
flat angles P-C4'-P energy: -23.964
tors. eta vs tors. theta energy: -42.914
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: 1
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -398.673487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.673487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.673487 (E_RNA)
where:
Base-Base interactions energy: -263.162
where: short stacking energy: -123.163
Base-Backbone interact. energy: 0.564
local terms energy: -136.075380
where:
bonds (distance) C4'-P energy: -26.976
bonds (distance) P-C4' energy: -31.284
flat angles C4'-P-C4' energy: -30.428
flat angles P-C4'-P energy: -20.499
tors. eta vs tors. theta energy: -26.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -347.762510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.762510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.762510 (E_RNA)
where:
Base-Base interactions energy: -210.551
where: short stacking energy: -108.948
Base-Backbone interact. energy: -0.131
local terms energy: -137.080554
where:
bonds (distance) C4'-P energy: -30.293
bonds (distance) P-C4' energy: -30.322
flat angles C4'-P-C4' energy: -22.960
flat angles P-C4'-P energy: -22.575
tors. eta vs tors. theta energy: -30.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -325.208274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.208274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.208274 (E_RNA)
where:
Base-Base interactions energy: -209.227
where: short stacking energy: -91.676
Base-Backbone interact. energy: -0.340
local terms energy: -115.640682
where:
bonds (distance) C4'-P energy: -20.013
bonds (distance) P-C4' energy: -24.755
flat angles C4'-P-C4' energy: -30.383
flat angles P-C4'-P energy: -18.103
tors. eta vs tors. theta energy: -22.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -269.235989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.235989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.235989 (E_RNA)
where:
Base-Base interactions energy: -145.891
where: short stacking energy: -80.027
Base-Backbone interact. energy: -1.162
local terms energy: -122.183617
where:
bonds (distance) C4'-P energy: -23.776
bonds (distance) P-C4' energy: -35.529
flat angles C4'-P-C4' energy: -27.475
flat angles P-C4'-P energy: -19.179
tors. eta vs tors. theta energy: -16.225
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: 9, replica: 9
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -153.763850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.763850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.763850 (E_RNA)
where:
Base-Base interactions energy: -55.501
where: short stacking energy: -52.987
Base-Backbone interact. energy: -0.181
local terms energy: -98.082064
where:
bonds (distance) C4'-P energy: -31.699
bonds (distance) P-C4' energy: -28.136
flat angles C4'-P-C4' energy: -31.253
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: 1.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -154.002003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.002003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.002003 (E_RNA)
where:
Base-Base interactions energy: -55.048
where: short stacking energy: -35.041
Base-Backbone interact. energy: -1.153
local terms energy: -97.800889
where:
bonds (distance) C4'-P energy: -25.284
bonds (distance) P-C4' energy: -32.523
flat angles C4'-P-C4' energy: -23.507
flat angles P-C4'-P energy: -21.312
tors. eta vs tors. theta energy: 4.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -549.159467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.159467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.159467 (E_RNA)
where:
Base-Base interactions energy: -381.254
where: short stacking energy: -165.781
Base-Backbone interact. energy: -0.627
local terms energy: -167.278239
where:
bonds (distance) C4'-P energy: -25.382
bonds (distance) P-C4' energy: -33.311
flat angles C4'-P-C4' energy: -35.816
flat angles P-C4'-P energy: -19.364
tors. eta vs tors. theta energy: -53.406
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: 2
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -521.222905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.222905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.222905 (E_RNA)
where:
Base-Base interactions energy: -350.787
where: short stacking energy: -153.926
Base-Backbone interact. energy: -1.288
local terms energy: -169.148011
where:
bonds (distance) C4'-P energy: -22.538
bonds (distance) P-C4' energy: -34.294
flat angles C4'-P-C4' energy: -34.520
flat angles P-C4'-P energy: -26.941
tors. eta vs tors. theta energy: -50.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -505.992928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.992928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.992928 (E_RNA)
where:
Base-Base interactions energy: -339.126
where: short stacking energy: -156.747
Base-Backbone interact. energy: 0.193
local terms energy: -167.059477
where:
bonds (distance) C4'-P energy: -34.209
bonds (distance) P-C4' energy: -32.981
flat angles C4'-P-C4' energy: -33.429
flat angles P-C4'-P energy: -24.854
tors. eta vs tors. theta energy: -41.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -481.397952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.397952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.397952 (E_RNA)
where:
Base-Base interactions energy: -329.713
where: short stacking energy: -138.574
Base-Backbone interact. energy: -0.410
local terms energy: -151.274804
where:
bonds (distance) C4'-P energy: -28.601
bonds (distance) P-C4' energy: -33.176
flat angles C4'-P-C4' energy: -30.348
flat angles P-C4'-P energy: -17.961
tors. eta vs tors. theta energy: -41.189
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: 5, replica: 1
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -410.937730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.937730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.937730 (E_RNA)
where:
Base-Base interactions energy: -259.680
where: short stacking energy: -111.291
Base-Backbone interact. energy: 1.780
local terms energy: -153.037900
where:
bonds (distance) C4'-P energy: -34.954
bonds (distance) P-C4' energy: -36.151
flat angles C4'-P-C4' energy: -32.530
flat angles P-C4'-P energy: -27.860
tors. eta vs tors. theta energy: -21.542
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: 244
Temperature: 1.150000
Total energy: -342.712741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.712741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.712741 (E_RNA)
where:
Base-Base interactions energy: -220.395
where: short stacking energy: -103.286
Base-Backbone interact. energy: -0.551
local terms energy: -121.766051
where:
bonds (distance) C4'-P energy: -22.300
bonds (distance) P-C4' energy: -29.800
flat angles C4'-P-C4' energy: -27.471
flat angles P-C4'-P energy: -20.642
tors. eta vs tors. theta energy: -21.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -359.163388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.163388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.163388 (E_RNA)
where:
Base-Base interactions energy: -217.372
where: short stacking energy: -102.023
Base-Backbone interact. energy: -0.402
local terms energy: -141.389985
where:
bonds (distance) C4'-P energy: -27.983
bonds (distance) P-C4' energy: -30.884
flat angles C4'-P-C4' energy: -27.587
flat angles P-C4'-P energy: -20.580
tors. eta vs tors. theta energy: -34.355
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: 8
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -282.289155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.289155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.289155 (E_RNA)
where:
Base-Base interactions energy: -163.193
where: short stacking energy: -78.441
Base-Backbone interact. energy: 0.203
local terms energy: -119.298792
where:
bonds (distance) C4'-P energy: -31.253
bonds (distance) P-C4' energy: -29.847
flat angles C4'-P-C4' energy: -31.868
flat angles P-C4'-P energy: -16.199
tors. eta vs tors. theta energy: -10.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -178.904232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.904232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.904232 (E_RNA)
where:
Base-Base interactions energy: -69.341
where: short stacking energy: -57.650
Base-Backbone interact. energy: -1.336
local terms energy: -108.227454
where:
bonds (distance) C4'-P energy: -28.683
bonds (distance) P-C4' energy: -33.048
flat angles C4'-P-C4' energy: -28.037
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: -6.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -148.202138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.202138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.202138 (E_RNA)
where:
Base-Base interactions energy: -64.280
where: short stacking energy: -52.761
Base-Backbone interact. energy: 1.483
local terms energy: -85.404232
where:
bonds (distance) C4'-P energy: -29.339
bonds (distance) P-C4' energy: -28.549
flat angles C4'-P-C4' energy: -18.480
flat angles P-C4'-P energy: -13.431
tors. eta vs tors. theta energy: 4.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -545.658991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.658991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.658991 (E_RNA)
where:
Base-Base interactions energy: -372.014
where: short stacking energy: -171.572
Base-Backbone interact. energy: -0.750
local terms energy: -172.894241
where:
bonds (distance) C4'-P energy: -33.020
bonds (distance) P-C4' energy: -32.550
flat angles C4'-P-C4' energy: -34.462
flat angles P-C4'-P energy: -21.666
tors. eta vs tors. theta energy: -51.197
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: 2
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -533.574226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.574226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.574226 (E_RNA)
where:
Base-Base interactions energy: -365.112
where: short stacking energy: -170.966
Base-Backbone interact. energy: -1.266
local terms energy: -167.196719
where:
bonds (distance) C4'-P energy: -30.282
bonds (distance) P-C4' energy: -25.899
flat angles C4'-P-C4' energy: -33.114
flat angles P-C4'-P energy: -27.531
tors. eta vs tors. theta energy: -50.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -497.485992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.485992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.485992 (E_RNA)
where:
Base-Base interactions energy: -339.483
where: short stacking energy: -154.898
Base-Backbone interact. energy: -0.811
local terms energy: -157.192895
where:
bonds (distance) C4'-P energy: -30.532
bonds (distance) P-C4' energy: -31.001
flat angles C4'-P-C4' energy: -33.237
flat angles P-C4'-P energy: -22.276
tors. eta vs tors. theta energy: -40.148
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: 4, replica: 7
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -479.072466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.072466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.072466 (E_RNA)
where:
Base-Base interactions energy: -306.881
where: short stacking energy: -131.411
Base-Backbone interact. energy: -0.763
local terms energy: -171.427953
where:
bonds (distance) C4'-P energy: -32.419
bonds (distance) P-C4' energy: -33.542
flat angles C4'-P-C4' energy: -36.078
flat angles P-C4'-P energy: -24.385
tors. eta vs tors. theta energy: -45.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -417.470260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.470260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.470260 (E_RNA)
where:
Base-Base interactions energy: -269.380
where: short stacking energy: -115.637
Base-Backbone interact. energy: -0.780
local terms energy: -147.310368
where:
bonds (distance) C4'-P energy: -32.353
bonds (distance) P-C4' energy: -29.694
flat angles C4'-P-C4' energy: -33.616
flat angles P-C4'-P energy: -21.159
tors. eta vs tors. theta energy: -30.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -363.504655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.504655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.504655 (E_RNA)
where:
Base-Base interactions energy: -223.369
where: short stacking energy: -118.000
Base-Backbone interact. energy: 0.394
local terms energy: -140.529082
where:
bonds (distance) C4'-P energy: -27.480
bonds (distance) P-C4' energy: -25.829
flat angles C4'-P-C4' energy: -30.260
flat angles P-C4'-P energy: -23.095
tors. eta vs tors. theta energy: -33.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -348.223965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.223965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.223965 (E_RNA)
where:
Base-Base interactions energy: -206.174
where: short stacking energy: -110.780
Base-Backbone interact. energy: -1.022
local terms energy: -141.028296
where:
bonds (distance) C4'-P energy: -32.593
bonds (distance) P-C4' energy: -24.517
flat angles C4'-P-C4' energy: -35.038
flat angles P-C4'-P energy: -18.506
tors. eta vs tors. theta energy: -30.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -298.690906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.690906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.690906 (E_RNA)
where:
Base-Base interactions energy: -191.048
where: short stacking energy: -69.814
Base-Backbone interact. energy: 2.151
local terms energy: -109.794428
where:
bonds (distance) C4'-P energy: -25.110
bonds (distance) P-C4' energy: -26.988
flat angles C4'-P-C4' energy: -29.799
flat angles P-C4'-P energy: -20.733
tors. eta vs tors. theta energy: -7.165
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: 4
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -150.409790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.409790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.409790 (E_RNA)
where:
Base-Base interactions energy: -54.805
where: short stacking energy: -41.485
Base-Backbone interact. energy: 1.009
local terms energy: -96.614460
where:
bonds (distance) C4'-P energy: -26.363
bonds (distance) P-C4' energy: -27.932
flat angles C4'-P-C4' energy: -23.908
flat angles P-C4'-P energy: -16.778
tors. eta vs tors. theta energy: -1.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -153.499011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.499011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.499011 (E_RNA)
where:
Base-Base interactions energy: -52.024
where: short stacking energy: -49.071
Base-Backbone interact. energy: -0.459
local terms energy: -101.015374
where:
bonds (distance) C4'-P energy: -25.030
bonds (distance) P-C4' energy: -33.531
flat angles C4'-P-C4' energy: -30.415
flat angles P-C4'-P energy: -11.159
tors. eta vs tors. theta energy: -0.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -546.365985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.365985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.365985 (E_RNA)
where:
Base-Base interactions energy: -376.945
where: short stacking energy: -164.899
Base-Backbone interact. energy: -1.002
local terms energy: -168.419111
where:
bonds (distance) C4'-P energy: -27.480
bonds (distance) P-C4' energy: -35.887
flat angles C4'-P-C4' energy: -35.834
flat angles P-C4'-P energy: -22.692
tors. eta vs tors. theta energy: -46.525
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: 6
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -539.644968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.644968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.644968 (E_RNA)
where:
Base-Base interactions energy: -372.619
where: short stacking energy: -164.520
Base-Backbone interact. energy: -0.204
local terms energy: -166.821671
where:
bonds (distance) C4'-P energy: -33.179
bonds (distance) P-C4' energy: -33.007
flat angles C4'-P-C4' energy: -35.294
flat angles P-C4'-P energy: -22.908
tors. eta vs tors. theta energy: -42.434
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: 246
Temperature: 1.000000
Total energy: -495.474913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.474913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.474913 (E_RNA)
where:
Base-Base interactions energy: -338.531
where: short stacking energy: -136.617
Base-Backbone interact. energy: -1.364
local terms energy: -155.579531
where:
bonds (distance) C4'-P energy: -31.853
bonds (distance) P-C4' energy: -28.702
flat angles C4'-P-C4' energy: -34.545
flat angles P-C4'-P energy: -22.901
tors. eta vs tors. theta energy: -37.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -494.036139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.036139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.036139 (E_RNA)
where:
Base-Base interactions energy: -338.260
where: short stacking energy: -147.365
Base-Backbone interact. energy: -0.061
local terms energy: -155.714730
where:
bonds (distance) C4'-P energy: -31.042
bonds (distance) P-C4' energy: -27.263
flat angles C4'-P-C4' energy: -34.644
flat angles P-C4'-P energy: -23.065
tors. eta vs tors. theta energy: -39.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -414.435187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.435187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.435187 (E_RNA)
where:
Base-Base interactions energy: -274.018
where: short stacking energy: -120.286
Base-Backbone interact. energy: -2.271
local terms energy: -138.146517
where:
bonds (distance) C4'-P energy: -18.137
bonds (distance) P-C4' energy: -35.849
flat angles C4'-P-C4' energy: -29.786
flat angles P-C4'-P energy: -20.091
tors. eta vs tors. theta energy: -34.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -347.721183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.721183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.721183 (E_RNA)
where:
Base-Base interactions energy: -219.680
where: short stacking energy: -114.375
Base-Backbone interact. energy: -0.222
local terms energy: -127.820136
where:
bonds (distance) C4'-P energy: -26.918
bonds (distance) P-C4' energy: -27.707
flat angles C4'-P-C4' energy: -28.953
flat angles P-C4'-P energy: -15.960
tors. eta vs tors. theta energy: -28.282
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: 3
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -333.347381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.347381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.347381 (E_RNA)
where:
Base-Base interactions energy: -203.581
where: short stacking energy: -101.374
Base-Backbone interact. energy: -0.210
local terms energy: -129.556311
where:
bonds (distance) C4'-P energy: -28.533
bonds (distance) P-C4' energy: -35.065
flat angles C4'-P-C4' energy: -26.573
flat angles P-C4'-P energy: -20.932
tors. eta vs tors. theta energy: -18.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -311.123609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.123609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.123609 (E_RNA)
where:
Base-Base interactions energy: -191.251
where: short stacking energy: -92.832
Base-Backbone interact. energy: -0.419
local terms energy: -119.453260
where:
bonds (distance) C4'-P energy: -24.838
bonds (distance) P-C4' energy: -26.142
flat angles C4'-P-C4' energy: -30.310
flat angles P-C4'-P energy: -21.959
tors. eta vs tors. theta energy: -16.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -173.284883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.284883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.284883 (E_RNA)
where:
Base-Base interactions energy: -77.198
where: short stacking energy: -73.949
Base-Backbone interact. energy: -0.301
local terms energy: -95.786443
where:
bonds (distance) C4'-P energy: -20.494
bonds (distance) P-C4' energy: -30.654
flat angles C4'-P-C4' energy: -22.464
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -12.134
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: 10, replica: 4
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -159.863944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.863944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.863944 (E_RNA)
where:
Base-Base interactions energy: -58.759
where: short stacking energy: -46.057
Base-Backbone interact. energy: -0.273
local terms energy: -100.831679
where:
bonds (distance) C4'-P energy: -32.264
bonds (distance) P-C4' energy: -18.950
flat angles C4'-P-C4' energy: -30.011
flat angles P-C4'-P energy: -14.205
tors. eta vs tors. theta energy: -5.402
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: 2
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -541.908782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.908782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.908782 (E_RNA)
where:
Base-Base interactions energy: -376.635
where: short stacking energy: -179.292
Base-Backbone interact. energy: 0.193
local terms energy: -165.467095
where:
bonds (distance) C4'-P energy: -26.886
bonds (distance) P-C4' energy: -27.715
flat angles C4'-P-C4' energy: -34.963
flat angles P-C4'-P energy: -27.900
tors. eta vs tors. theta energy: -48.004
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: 6
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -536.680846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.680846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.680846 (E_RNA)
where:
Base-Base interactions energy: -370.765
where: short stacking energy: -167.971
Base-Backbone interact. energy: -0.099
local terms energy: -165.817005
where:
bonds (distance) C4'-P energy: -32.152
bonds (distance) P-C4' energy: -30.594
flat angles C4'-P-C4' energy: -36.168
flat angles P-C4'-P energy: -20.482
tors. eta vs tors. theta energy: -46.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -496.419115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.419115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.419115 (E_RNA)
where:
Base-Base interactions energy: -343.563
where: short stacking energy: -148.656
Base-Backbone interact. energy: 0.444
local terms energy: -153.299352
where:
bonds (distance) C4'-P energy: -23.305
bonds (distance) P-C4' energy: -35.393
flat angles C4'-P-C4' energy: -32.875
flat angles P-C4'-P energy: -22.045
tors. eta vs tors. theta energy: -39.682
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: 10
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -464.474393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.474393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.474393 (E_RNA)
where:
Base-Base interactions energy: -314.832
where: short stacking energy: -145.108
Base-Backbone interact. energy: -0.381
local terms energy: -149.261006
where:
bonds (distance) C4'-P energy: -30.334
bonds (distance) P-C4' energy: -31.872
flat angles C4'-P-C4' energy: -33.277
flat angles P-C4'-P energy: -17.275
tors. eta vs tors. theta energy: -36.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -383.022641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.022641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.022641 (E_RNA)
where:
Base-Base interactions energy: -243.465
where: short stacking energy: -119.570
Base-Backbone interact. energy: 0.499
local terms energy: -140.056744
where:
bonds (distance) C4'-P energy: -27.098
bonds (distance) P-C4' energy: -31.572
flat angles C4'-P-C4' energy: -25.348
flat angles P-C4'-P energy: -18.546
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: 6, replica: 3
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -348.275489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.275489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.275489 (E_RNA)
where:
Base-Base interactions energy: -222.901
where: short stacking energy: -125.053
Base-Backbone interact. energy: 4.641
local terms energy: -130.014924
where:
bonds (distance) C4'-P energy: -23.154
bonds (distance) P-C4' energy: -31.520
flat angles C4'-P-C4' energy: -33.400
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: -29.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -345.082339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.082339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.082339 (E_RNA)
where:
Base-Base interactions energy: -222.542
where: short stacking energy: -105.631
Base-Backbone interact. energy: -1.347
local terms energy: -121.193977
where:
bonds (distance) C4'-P energy: -23.922
bonds (distance) P-C4' energy: -27.542
flat angles C4'-P-C4' energy: -31.159
flat angles P-C4'-P energy: -15.235
tors. eta vs tors. theta energy: -23.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -296.104316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.104316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.104316 (E_RNA)
where:
Base-Base interactions energy: -187.317
where: short stacking energy: -95.483
Base-Backbone interact. energy: -0.902
local terms energy: -107.885069
where:
bonds (distance) C4'-P energy: -23.527
bonds (distance) P-C4' energy: -25.149
flat angles C4'-P-C4' energy: -27.246
flat angles P-C4'-P energy: -7.439
tors. eta vs tors. theta energy: -24.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -162.162568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.162568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.162568 (E_RNA)
where:
Base-Base interactions energy: -67.121
where: short stacking energy: -48.944
Base-Backbone interact. energy: -0.895
local terms energy: -94.146615
where:
bonds (distance) C4'-P energy: -28.828
bonds (distance) P-C4' energy: -32.235
flat angles C4'-P-C4' energy: -21.528
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -0.773
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: 4
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -161.014167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.014167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.014167 (E_RNA)
where:
Base-Base interactions energy: -65.485
where: short stacking energy: -55.800
Base-Backbone interact. energy: -0.690
local terms energy: -94.838511
where:
bonds (distance) C4'-P energy: -18.514
bonds (distance) P-C4' energy: -31.627
flat angles C4'-P-C4' energy: -26.949
flat angles P-C4'-P energy: -16.593
tors. eta vs tors. theta energy: -1.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -542.045260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.045260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.045260 (E_RNA)
where:
Base-Base interactions energy: -370.284
where: short stacking energy: -153.659
Base-Backbone interact. energy: -0.620
local terms energy: -171.141307
where:
bonds (distance) C4'-P energy: -28.666
bonds (distance) P-C4' energy: -34.613
flat angles C4'-P-C4' energy: -34.069
flat angles P-C4'-P energy: -23.350
tors. eta vs tors. theta energy: -50.443
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: 2, replica: 2
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -537.874018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.874018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.874018 (E_RNA)
where:
Base-Base interactions energy: -358.010
where: short stacking energy: -169.223
Base-Backbone interact. energy: -0.542
local terms energy: -179.322550
where:
bonds (distance) C4'-P energy: -30.510
bonds (distance) P-C4' energy: -37.200
flat angles C4'-P-C4' energy: -33.671
flat angles P-C4'-P energy: -26.948
tors. eta vs tors. theta energy: -50.993
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: 248
Temperature: 1.000000
Total energy: -482.602136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.602136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.602136 (E_RNA)
where:
Base-Base interactions energy: -315.100
where: short stacking energy: -135.372
Base-Backbone interact. energy: -0.674
local terms energy: -166.828155
where:
bonds (distance) C4'-P energy: -28.065
bonds (distance) P-C4' energy: -32.542
flat angles C4'-P-C4' energy: -37.133
flat angles P-C4'-P energy: -22.533
tors. eta vs tors. theta energy: -46.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -482.574890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.574890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.574890 (E_RNA)
where:
Base-Base interactions energy: -315.985
where: short stacking energy: -141.492
Base-Backbone interact. energy: -0.655
local terms energy: -165.934864
where:
bonds (distance) C4'-P energy: -27.096
bonds (distance) P-C4' energy: -37.005
flat angles C4'-P-C4' energy: -38.662
flat angles P-C4'-P energy: -20.415
tors. eta vs tors. theta energy: -42.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -354.608871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.608871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.608871 (E_RNA)
where:
Base-Base interactions energy: -212.754
where: short stacking energy: -106.776
Base-Backbone interact. energy: -0.795
local terms energy: -141.059725
where:
bonds (distance) C4'-P energy: -30.403
bonds (distance) P-C4' energy: -29.616
flat angles C4'-P-C4' energy: -31.903
flat angles P-C4'-P energy: -24.778
tors. eta vs tors. theta energy: -24.359
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: 1
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -399.745170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.745170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.745170 (E_RNA)
where:
Base-Base interactions energy: -260.093
where: short stacking energy: -115.762
Base-Backbone interact. energy: 0.183
local terms energy: -139.835081
where:
bonds (distance) C4'-P energy: -24.356
bonds (distance) P-C4' energy: -30.897
flat angles C4'-P-C4' energy: -31.771
flat angles P-C4'-P energy: -20.988
tors. eta vs tors. theta energy: -31.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -334.189838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.189838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.189838 (E_RNA)
where:
Base-Base interactions energy: -210.292
where: short stacking energy: -110.899
Base-Backbone interact. energy: -0.267
local terms energy: -123.631024
where:
bonds (distance) C4'-P energy: -32.171
bonds (distance) P-C4' energy: -28.614
flat angles C4'-P-C4' energy: -20.123
flat angles P-C4'-P energy: -15.242
tors. eta vs tors. theta energy: -27.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -299.655194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.655194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.655194 (E_RNA)
where:
Base-Base interactions energy: -180.339
where: short stacking energy: -82.985
Base-Backbone interact. energy: -0.518
local terms energy: -118.798555
where:
bonds (distance) C4'-P energy: -30.727
bonds (distance) P-C4' energy: -28.506
flat angles C4'-P-C4' energy: -31.201
flat angles P-C4'-P energy: -13.002
tors. eta vs tors. theta energy: -15.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -169.891888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.891888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.891888 (E_RNA)
where:
Base-Base interactions energy: -78.331
where: short stacking energy: -62.343
Base-Backbone interact. energy: -0.264
local terms energy: -91.297307
where:
bonds (distance) C4'-P energy: -31.112
bonds (distance) P-C4' energy: -20.165
flat angles C4'-P-C4' energy: -23.097
flat angles P-C4'-P energy: -17.840
tors. eta vs tors. theta energy: 0.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -141.517166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.517166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.517166 (E_RNA)
where:
Base-Base interactions energy: -59.078
where: short stacking energy: -40.673
Base-Backbone interact. energy: -1.913
local terms energy: -80.526781
where:
bonds (distance) C4'-P energy: -27.891
bonds (distance) P-C4' energy: -26.329
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -13.143
tors. eta vs tors. theta energy: 3.041
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: 6
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -542.388101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.388101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.388101 (E_RNA)
where:
Base-Base interactions energy: -358.216
where: short stacking energy: -168.356
Base-Backbone interact. energy: -1.213
local terms energy: -182.959406
where:
bonds (distance) C4'-P energy: -38.881
bonds (distance) P-C4' energy: -32.981
flat angles C4'-P-C4' energy: -36.669
flat angles P-C4'-P energy: -25.397
tors. eta vs tors. theta energy: -49.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -532.434855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.434855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.434855 (E_RNA)
where:
Base-Base interactions energy: -362.842
where: short stacking energy: -163.434
Base-Backbone interact. energy: 2.052
local terms energy: -171.644909
where:
bonds (distance) C4'-P energy: -34.102
bonds (distance) P-C4' energy: -33.960
flat angles C4'-P-C4' energy: -32.495
flat angles P-C4'-P energy: -23.150
tors. eta vs tors. theta energy: -47.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -477.033431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.033431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.033431 (E_RNA)
where:
Base-Base interactions energy: -316.640
where: short stacking energy: -145.167
Base-Backbone interact. energy: -0.245
local terms energy: -160.147997
where:
bonds (distance) C4'-P energy: -30.487
bonds (distance) P-C4' energy: -31.570
flat angles C4'-P-C4' energy: -35.939
flat angles P-C4'-P energy: -20.116
tors. eta vs tors. theta energy: -42.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -485.639805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.639805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.639805 (E_RNA)
where:
Base-Base interactions energy: -325.692
where: short stacking energy: -154.424
Base-Backbone interact. energy: -1.088
local terms energy: -158.859835
where:
bonds (distance) C4'-P energy: -32.692
bonds (distance) P-C4' energy: -27.143
flat angles C4'-P-C4' energy: -36.425
flat angles P-C4'-P energy: -26.994
tors. eta vs tors. theta energy: -35.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -368.497254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.497254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.497254 (E_RNA)
where:
Base-Base interactions energy: -213.391
where: short stacking energy: -114.323
Base-Backbone interact. energy: -0.674
local terms energy: -154.432008
where:
bonds (distance) C4'-P energy: -29.409
bonds (distance) P-C4' energy: -36.145
flat angles C4'-P-C4' energy: -34.987
flat angles P-C4'-P energy: -20.063
tors. eta vs tors. theta energy: -33.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -394.819513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.819513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.819513 (E_RNA)
where:
Base-Base interactions energy: -254.823
where: short stacking energy: -105.833
Base-Backbone interact. energy: -1.245
local terms energy: -138.751389
where:
bonds (distance) C4'-P energy: -28.876
bonds (distance) P-C4' energy: -29.196
flat angles C4'-P-C4' energy: -34.206
flat angles P-C4'-P energy: -17.708
tors. eta vs tors. theta energy: -28.765
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: 7, replica: 5
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -327.369694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.369694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.369694 (E_RNA)
where:
Base-Base interactions energy: -190.545
where: short stacking energy: -104.132
Base-Backbone interact. energy: 1.139
local terms energy: -137.964104
where:
bonds (distance) C4'-P energy: -28.045
bonds (distance) P-C4' energy: -28.600
flat angles C4'-P-C4' energy: -26.305
flat angles P-C4'-P energy: -26.299
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: 8, replica: 8
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -313.042395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.042395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.042395 (E_RNA)
where:
Base-Base interactions energy: -193.622
where: short stacking energy: -97.879
Base-Backbone interact. energy: -0.287
local terms energy: -119.133937
where:
bonds (distance) C4'-P energy: -22.020
bonds (distance) P-C4' energy: -27.799
flat angles C4'-P-C4' energy: -29.373
flat angles P-C4'-P energy: -15.494
tors. eta vs tors. theta energy: -24.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -165.827193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.827193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.827193 (E_RNA)
where:
Base-Base interactions energy: -68.730
where: short stacking energy: -48.139
Base-Backbone interact. energy: 4.522
local terms energy: -101.619482
where:
bonds (distance) C4'-P energy: -27.613
bonds (distance) P-C4' energy: -27.851
flat angles C4'-P-C4' energy: -22.370
flat angles P-C4'-P energy: -18.878
tors. eta vs tors. theta energy: -4.909
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: 249
Temperature: 1.350000
Total energy: -155.428818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.428818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.428818 (E_RNA)
where:
Base-Base interactions energy: -59.928
where: short stacking energy: -58.904
Base-Backbone interact. energy: -0.970
local terms energy: -94.531372
where:
bonds (distance) C4'-P energy: -25.148
bonds (distance) P-C4' energy: -27.170
flat angles C4'-P-C4' energy: -24.137
flat angles P-C4'-P energy: -17.089
tors. eta vs tors. theta energy: -0.988
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: 2
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -550.994718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.994718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.994718 (E_RNA)
where:
Base-Base interactions energy: -370.088
where: short stacking energy: -162.029
Base-Backbone interact. energy: -0.735
local terms energy: -180.170992
where:
bonds (distance) C4'-P energy: -33.426
bonds (distance) P-C4' energy: -37.778
flat angles C4'-P-C4' energy: -35.515
flat angles P-C4'-P energy: -23.992
tors. eta vs tors. theta energy: -49.460
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: 2, replica: 6
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -544.741614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.741614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.741614 (E_RNA)
where:
Base-Base interactions energy: -374.577
where: short stacking energy: -164.239
Base-Backbone interact. energy: 0.057
local terms energy: -170.221105
where:
bonds (distance) C4'-P energy: -31.107
bonds (distance) P-C4' energy: -33.127
flat angles C4'-P-C4' energy: -36.009
flat angles P-C4'-P energy: -24.090
tors. eta vs tors. theta energy: -45.889
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: 7
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -474.499770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.499770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.499770 (E_RNA)
where:
Base-Base interactions energy: -323.152
where: short stacking energy: -140.964
Base-Backbone interact. energy: -0.612
local terms energy: -150.735647
where:
bonds (distance) C4'-P energy: -21.818
bonds (distance) P-C4' energy: -32.976
flat angles C4'-P-C4' energy: -35.236
flat angles P-C4'-P energy: -20.002
tors. eta vs tors. theta energy: -40.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -479.577259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.577259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.577259 (E_RNA)
where:
Base-Base interactions energy: -321.871
where: short stacking energy: -143.817
Base-Backbone interact. energy: -1.454
local terms energy: -156.252356
where:
bonds (distance) C4'-P energy: -24.572
bonds (distance) P-C4' energy: -37.728
flat angles C4'-P-C4' energy: -31.211
flat angles P-C4'-P energy: -18.376
tors. eta vs tors. theta energy: -44.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -406.261621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.261621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.261621 (E_RNA)
where:
Base-Base interactions energy: -275.791
where: short stacking energy: -121.564
Base-Backbone interact. energy: -0.483
local terms energy: -129.988280
where:
bonds (distance) C4'-P energy: -26.835
bonds (distance) P-C4' energy: -26.710
flat angles C4'-P-C4' energy: -28.692
flat angles P-C4'-P energy: -16.308
tors. eta vs tors. theta energy: -31.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -351.105224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.105224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.105224 (E_RNA)
where:
Base-Base interactions energy: -209.682
where: short stacking energy: -103.698
Base-Backbone interact. energy: 0.696
local terms energy: -142.118812
where:
bonds (distance) C4'-P energy: -28.976
bonds (distance) P-C4' energy: -28.340
flat angles C4'-P-C4' energy: -30.556
flat angles P-C4'-P energy: -22.790
tors. eta vs tors. theta energy: -31.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -314.973266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.973266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.973266 (E_RNA)
where:
Base-Base interactions energy: -194.535
where: short stacking energy: -96.467
Base-Backbone interact. energy: -0.465
local terms energy: -119.973377
where:
bonds (distance) C4'-P energy: -27.386
bonds (distance) P-C4' energy: -25.995
flat angles C4'-P-C4' energy: -30.144
flat angles P-C4'-P energy: -14.369
tors. eta vs tors. theta energy: -22.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -326.812729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.812729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.812729 (E_RNA)
where:
Base-Base interactions energy: -197.952
where: short stacking energy: -95.766
Base-Backbone interact. energy: -0.895
local terms energy: -127.966117
where:
bonds (distance) C4'-P energy: -31.106
bonds (distance) P-C4' energy: -25.842
flat angles C4'-P-C4' energy: -30.361
flat angles P-C4'-P energy: -23.231
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: 9, replica: 9
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -160.331062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.331062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.331062 (E_RNA)
where:
Base-Base interactions energy: -75.220
where: short stacking energy: -54.166
Base-Backbone interact. energy: -0.658
local terms energy: -84.452197
where:
bonds (distance) C4'-P energy: -27.459
bonds (distance) P-C4' energy: -29.419
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -6.741
tors. eta vs tors. theta energy: -7.359
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: 4
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -155.133264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.133264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.133264 (E_RNA)
where:
Base-Base interactions energy: -59.930
where: short stacking energy: -42.812
Base-Backbone interact. energy: 1.985
local terms energy: -97.188144
where:
bonds (distance) C4'-P energy: -28.528
bonds (distance) P-C4' energy: -33.415
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -17.038
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -534.201690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.201690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.201690 (E_RNA)
where:
Base-Base interactions energy: -350.266
where: short stacking energy: -165.663
Base-Backbone interact. energy: -0.457
local terms energy: -183.478736
where:
bonds (distance) C4'-P energy: -36.830
bonds (distance) P-C4' energy: -32.515
flat angles C4'-P-C4' energy: -39.659
flat angles P-C4'-P energy: -21.381
tors. eta vs tors. theta energy: -53.094
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: 6
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -535.572623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.572623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.572623 (E_RNA)
where:
Base-Base interactions energy: -368.084
where: short stacking energy: -169.396
Base-Backbone interact. energy: -0.274
local terms energy: -167.214367
where:
bonds (distance) C4'-P energy: -25.568
bonds (distance) P-C4' energy: -32.835
flat angles C4'-P-C4' energy: -31.768
flat angles P-C4'-P energy: -28.021
tors. eta vs tors. theta energy: -49.022
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: 251
Temperature: 1.000000
Total energy: -479.817348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.817348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.817348 (E_RNA)
where:
Base-Base interactions energy: -309.192
where: short stacking energy: -138.376
Base-Backbone interact. energy: -0.250
local terms energy: -170.375757
where:
bonds (distance) C4'-P energy: -33.680
bonds (distance) P-C4' energy: -33.872
flat angles C4'-P-C4' energy: -34.567
flat angles P-C4'-P energy: -24.971
tors. eta vs tors. theta energy: -43.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -444.193300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.193300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.193300 (E_RNA)
where:
Base-Base interactions energy: -304.999
where: short stacking energy: -130.531
Base-Backbone interact. energy: 0.168
local terms energy: -139.363022
where:
bonds (distance) C4'-P energy: -27.220
bonds (distance) P-C4' energy: -28.023
flat angles C4'-P-C4' energy: -33.729
flat angles P-C4'-P energy: -19.664
tors. eta vs tors. theta energy: -30.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -454.696154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.696154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.696154 (E_RNA)
where:
Base-Base interactions energy: -311.857
where: short stacking energy: -133.438
Base-Backbone interact. energy: -0.096
local terms energy: -142.743318
where:
bonds (distance) C4'-P energy: -29.475
bonds (distance) P-C4' energy: -27.912
flat angles C4'-P-C4' energy: -29.987
flat angles P-C4'-P energy: -22.196
tors. eta vs tors. theta energy: -33.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -371.396304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.396304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.396304 (E_RNA)
where:
Base-Base interactions energy: -237.877
where: short stacking energy: -111.815
Base-Backbone interact. energy: 0.105
local terms energy: -133.624760
where:
bonds (distance) C4'-P energy: -25.694
bonds (distance) P-C4' energy: -28.415
flat angles C4'-P-C4' energy: -35.588
flat angles P-C4'-P energy: -15.968
tors. eta vs tors. theta energy: -27.961
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: 8
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -341.621753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.621753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.621753 (E_RNA)
where:
Base-Base interactions energy: -208.788
where: short stacking energy: -111.105
Base-Backbone interact. energy: -0.537
local terms energy: -132.297167
where:
bonds (distance) C4'-P energy: -28.756
bonds (distance) P-C4' energy: -27.943
flat angles C4'-P-C4' energy: -29.981
flat angles P-C4'-P energy: -19.516
tors. eta vs tors. theta energy: -26.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -324.787901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.787901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.787901 (E_RNA)
where:
Base-Base interactions energy: -206.603
where: short stacking energy: -94.226
Base-Backbone interact. energy: -0.114
local terms energy: -118.070696
where:
bonds (distance) C4'-P energy: -23.603
bonds (distance) P-C4' energy: -27.129
flat angles C4'-P-C4' energy: -27.129
flat angles P-C4'-P energy: -15.682
tors. eta vs tors. theta energy: -24.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -168.818921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.818921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.818921 (E_RNA)
where:
Base-Base interactions energy: -60.896
where: short stacking energy: -54.492
Base-Backbone interact. energy: -0.484
local terms energy: -107.438861
where:
bonds (distance) C4'-P energy: -27.767
bonds (distance) P-C4' energy: -27.696
flat angles C4'-P-C4' energy: -25.351
flat angles P-C4'-P energy: -18.703
tors. eta vs tors. theta energy: -7.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -146.908716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.908716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.908716 (E_RNA)
where:
Base-Base interactions energy: -57.198
where: short stacking energy: -49.229
Base-Backbone interact. energy: 3.139
local terms energy: -92.850175
where:
bonds (distance) C4'-P energy: -22.237
bonds (distance) P-C4' energy: -22.439
flat angles C4'-P-C4' energy: -20.759
flat angles P-C4'-P energy: -19.631
tors. eta vs tors. theta energy: -7.784
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: 6
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -549.151204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.151204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.151204 (E_RNA)
where:
Base-Base interactions energy: -383.170
where: short stacking energy: -170.155
Base-Backbone interact. energy: -0.270
local terms energy: -165.711477
where:
bonds (distance) C4'-P energy: -33.642
bonds (distance) P-C4' energy: -24.513
flat angles C4'-P-C4' energy: -32.554
flat angles P-C4'-P energy: -26.178
tors. eta vs tors. theta energy: -48.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -527.438162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.438162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.438162 (E_RNA)
where:
Base-Base interactions energy: -361.108
where: short stacking energy: -168.084
Base-Backbone interact. energy: -0.726
local terms energy: -165.604781
where:
bonds (distance) C4'-P energy: -30.447
bonds (distance) P-C4' energy: -29.109
flat angles C4'-P-C4' energy: -33.579
flat angles P-C4'-P energy: -22.770
tors. eta vs tors. theta energy: -49.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -474.119935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.119935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.119935 (E_RNA)
where:
Base-Base interactions energy: -309.373
where: short stacking energy: -146.303
Base-Backbone interact. energy: -1.990
local terms energy: -162.756933
where:
bonds (distance) C4'-P energy: -31.523
bonds (distance) P-C4' energy: -33.107
flat angles C4'-P-C4' energy: -29.741
flat angles P-C4'-P energy: -26.073
tors. eta vs tors. theta energy: -42.313
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: 1
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -448.610577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.610577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.610577 (E_RNA)
where:
Base-Base interactions energy: -296.158
where: short stacking energy: -146.116
Base-Backbone interact. energy: -0.834
local terms energy: -151.617943
where:
bonds (distance) C4'-P energy: -28.563
bonds (distance) P-C4' energy: -31.766
flat angles C4'-P-C4' energy: -36.869
flat angles P-C4'-P energy: -20.818
tors. eta vs tors. theta energy: -33.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -457.913958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.913958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.913958 (E_RNA)
where:
Base-Base interactions energy: -310.017
where: short stacking energy: -129.089
Base-Backbone interact. energy: -0.235
local terms energy: -147.662817
where:
bonds (distance) C4'-P energy: -31.192
bonds (distance) P-C4' energy: -32.330
flat angles C4'-P-C4' energy: -34.185
flat angles P-C4'-P energy: -19.646
tors. eta vs tors. theta energy: -30.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -381.960876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.960876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.960876 (E_RNA)
where:
Base-Base interactions energy: -236.913
where: short stacking energy: -126.415
Base-Backbone interact. energy: -0.770
local terms energy: -144.278830
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -28.943
flat angles C4'-P-C4' energy: -34.328
flat angles P-C4'-P energy: -24.306
tors. eta vs tors. theta energy: -40.488
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: 5
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -326.194461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.194461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.194461 (E_RNA)
where:
Base-Base interactions energy: -214.655
where: short stacking energy: -99.570
Base-Backbone interact. energy: -0.805
local terms energy: -110.734535
where:
bonds (distance) C4'-P energy: -23.266
bonds (distance) P-C4' energy: -29.366
flat angles C4'-P-C4' energy: -22.568
flat angles P-C4'-P energy: -17.504
tors. eta vs tors. theta energy: -18.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -328.988438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.988438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.988438 (E_RNA)
where:
Base-Base interactions energy: -197.110
where: short stacking energy: -99.312
Base-Backbone interact. energy: -0.391
local terms energy: -131.487084
where:
bonds (distance) C4'-P energy: -25.397
bonds (distance) P-C4' energy: -33.232
flat angles C4'-P-C4' energy: -32.426
flat angles P-C4'-P energy: -15.912
tors. eta vs tors. theta energy: -24.520
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: 252
Temperature: 1.300000
Total energy: -160.822977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.822977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.822977 (E_RNA)
where:
Base-Base interactions energy: -67.366
where: short stacking energy: -67.242
Base-Backbone interact. energy: -0.329
local terms energy: -93.127288
where:
bonds (distance) C4'-P energy: -27.950
bonds (distance) P-C4' energy: -18.962
flat angles C4'-P-C4' energy: -24.963
flat angles P-C4'-P energy: -15.502
tors. eta vs tors. theta energy: -5.750
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: 10, replica: 4
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -142.524848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.524848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.524848 (E_RNA)
where:
Base-Base interactions energy: -37.944
where: short stacking energy: -34.362
Base-Backbone interact. energy: 0.181
local terms energy: -104.761319
where:
bonds (distance) C4'-P energy: -23.819
bonds (distance) P-C4' energy: -35.347
flat angles C4'-P-C4' energy: -31.960
flat angles P-C4'-P energy: -17.991
tors. eta vs tors. theta energy: 4.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -539.193677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.193677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.193677 (E_RNA)
where:
Base-Base interactions energy: -367.082
where: short stacking energy: -156.962
Base-Backbone interact. energy: -0.222
local terms energy: -171.889177
where:
bonds (distance) C4'-P energy: -27.534
bonds (distance) P-C4' energy: -33.198
flat angles C4'-P-C4' energy: -36.755
flat angles P-C4'-P energy: -27.391
tors. eta vs tors. theta energy: -47.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -510.909595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.909595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.909595 (E_RNA)
where:
Base-Base interactions energy: -350.647
where: short stacking energy: -151.994
Base-Backbone interact. energy: -0.430
local terms energy: -159.832617
where:
bonds (distance) C4'-P energy: -33.587
bonds (distance) P-C4' energy: -30.943
flat angles C4'-P-C4' energy: -29.595
flat angles P-C4'-P energy: -22.202
tors. eta vs tors. theta energy: -43.506
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: 3, replica: 7
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -491.646264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.646264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.646264 (E_RNA)
where:
Base-Base interactions energy: -329.994
where: short stacking energy: -153.910
Base-Backbone interact. energy: -1.750
local terms energy: -159.902667
where:
bonds (distance) C4'-P energy: -31.936
bonds (distance) P-C4' energy: -30.846
flat angles C4'-P-C4' energy: -38.249
flat angles P-C4'-P energy: -13.317
tors. eta vs tors. theta energy: -45.555
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: 10
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -469.927985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.927985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.927985 (E_RNA)
where:
Base-Base interactions energy: -329.727
where: short stacking energy: -148.509
Base-Backbone interact. energy: -0.200
local terms energy: -140.000926
where:
bonds (distance) C4'-P energy: -25.003
bonds (distance) P-C4' energy: -22.412
flat angles C4'-P-C4' energy: -30.192
flat angles P-C4'-P energy: -24.143
tors. eta vs tors. theta energy: -38.250
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: 5, replica: 1
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -440.046157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.046157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.046157 (E_RNA)
where:
Base-Base interactions energy: -291.386
where: short stacking energy: -138.220
Base-Backbone interact. energy: -2.813
local terms energy: -145.847177
where:
bonds (distance) C4'-P energy: -32.088
bonds (distance) P-C4' energy: -29.460
flat angles C4'-P-C4' energy: -25.927
flat angles P-C4'-P energy: -16.967
tors. eta vs tors. theta energy: -41.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -337.090729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.090729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.090729 (E_RNA)
where:
Base-Base interactions energy: -210.177
where: short stacking energy: -107.109
Base-Backbone interact. energy: 0.172
local terms energy: -127.085434
where:
bonds (distance) C4'-P energy: -29.547
bonds (distance) P-C4' energy: -26.188
flat angles C4'-P-C4' energy: -23.673
flat angles P-C4'-P energy: -23.556
tors. eta vs tors. theta energy: -24.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -376.826674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.826674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.826674 (E_RNA)
where:
Base-Base interactions energy: -248.558
where: short stacking energy: -110.363
Base-Backbone interact. energy: -0.590
local terms energy: -127.678785
where:
bonds (distance) C4'-P energy: -24.951
bonds (distance) P-C4' energy: -26.044
flat angles C4'-P-C4' energy: -29.126
flat angles P-C4'-P energy: -17.378
tors. eta vs tors. theta energy: -30.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -309.803324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.803324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.803324 (E_RNA)
where:
Base-Base interactions energy: -196.547
where: short stacking energy: -90.157
Base-Backbone interact. energy: 0.074
local terms energy: -113.330539
where:
bonds (distance) C4'-P energy: -24.266
bonds (distance) P-C4' energy: -26.049
flat angles C4'-P-C4' energy: -22.845
flat angles P-C4'-P energy: -19.410
tors. eta vs tors. theta energy: -20.760
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: 9
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -149.942401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.942401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.942401 (E_RNA)
where:
Base-Base interactions energy: -68.233
where: short stacking energy: -54.622
Base-Backbone interact. energy: -0.646
local terms energy: -81.063271
where:
bonds (distance) C4'-P energy: -19.406
bonds (distance) P-C4' energy: -22.909
flat angles C4'-P-C4' energy: -17.871
flat angles P-C4'-P energy: -16.732
tors. eta vs tors. theta energy: -4.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -181.223362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.223362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.223362 (E_RNA)
where:
Base-Base interactions energy: -101.875
where: short stacking energy: -55.263
Base-Backbone interact. energy: 1.918
local terms energy: -81.266843
where:
bonds (distance) C4'-P energy: -24.066
bonds (distance) P-C4' energy: -25.475
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -17.404
tors. eta vs tors. theta energy: 3.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -526.862931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.862931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.862931 (E_RNA)
where:
Base-Base interactions energy: -355.252
where: short stacking energy: -167.503
Base-Backbone interact. energy: -1.472
local terms energy: -170.138753
where:
bonds (distance) C4'-P energy: -31.253
bonds (distance) P-C4' energy: -36.433
flat angles C4'-P-C4' energy: -35.747
flat angles P-C4'-P energy: -21.417
tors. eta vs tors. theta energy: -45.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -540.805492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.805492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.805492 (E_RNA)
where:
Base-Base interactions energy: -374.557
where: short stacking energy: -172.316
Base-Backbone interact. energy: 2.722
local terms energy: -168.970479
where:
bonds (distance) C4'-P energy: -33.932
bonds (distance) P-C4' energy: -27.641
flat angles C4'-P-C4' energy: -37.162
flat angles P-C4'-P energy: -21.067
tors. eta vs tors. theta energy: -49.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -475.219266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.219266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.219266 (E_RNA)
where:
Base-Base interactions energy: -310.226
where: short stacking energy: -145.943
Base-Backbone interact. energy: -1.160
local terms energy: -163.833025
where:
bonds (distance) C4'-P energy: -31.718
bonds (distance) P-C4' energy: -31.327
flat angles C4'-P-C4' energy: -34.356
flat angles P-C4'-P energy: -24.492
tors. eta vs tors. theta energy: -41.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -469.166537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.166537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.166537 (E_RNA)
where:
Base-Base interactions energy: -317.147
where: short stacking energy: -133.869
Base-Backbone interact. energy: -1.201
local terms energy: -150.818479
where:
bonds (distance) C4'-P energy: -26.112
bonds (distance) P-C4' energy: -31.333
flat angles C4'-P-C4' energy: -30.969
flat angles P-C4'-P energy: -24.765
tors. eta vs tors. theta energy: -37.641
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: 1
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -433.862809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.862809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.862809 (E_RNA)
where:
Base-Base interactions energy: -293.799
where: short stacking energy: -131.463
Base-Backbone interact. energy: -1.148
local terms energy: -138.915848
where:
bonds (distance) C4'-P energy: -28.472
bonds (distance) P-C4' energy: -20.103
flat angles C4'-P-C4' energy: -29.694
flat angles P-C4'-P energy: -23.695
tors. eta vs tors. theta energy: -36.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -350.834314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.834314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.834314 (E_RNA)
where:
Base-Base interactions energy: -208.551
where: short stacking energy: -113.592
Base-Backbone interact. energy: -0.462
local terms energy: -141.821064
where:
bonds (distance) C4'-P energy: -23.147
bonds (distance) P-C4' energy: -25.126
flat angles C4'-P-C4' energy: -32.743
flat angles P-C4'-P energy: -24.548
tors. eta vs tors. theta energy: -36.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -369.300298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.300298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.300298 (E_RNA)
where:
Base-Base interactions energy: -231.392
where: short stacking energy: -109.309
Base-Backbone interact. energy: -0.662
local terms energy: -137.246401
where:
bonds (distance) C4'-P energy: -24.428
bonds (distance) P-C4' energy: -30.947
flat angles C4'-P-C4' energy: -24.334
flat angles P-C4'-P energy: -20.662
tors. eta vs tors. theta energy: -36.875
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: 8
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -314.150721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.150721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.150721 (E_RNA)
where:
Base-Base interactions energy: -207.558
where: short stacking energy: -106.594
Base-Backbone interact. energy: -2.649
local terms energy: -103.944116
where:
bonds (distance) C4'-P energy: -22.276
bonds (distance) P-C4' energy: -25.934
flat angles C4'-P-C4' energy: -26.512
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -18.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -196.715000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.715000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.715000 (E_RNA)
where:
Base-Base interactions energy: -105.072
where: short stacking energy: -59.820
Base-Backbone interact. energy: -1.669
local terms energy: -89.974660
where:
bonds (distance) C4'-P energy: -31.333
bonds (distance) P-C4' energy: -20.853
flat angles C4'-P-C4' energy: -24.014
flat angles P-C4'-P energy: -12.759
tors. eta vs tors. theta energy: -1.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -151.488991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.488991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.488991 (E_RNA)
where:
Base-Base interactions energy: -61.643
where: short stacking energy: -40.942
Base-Backbone interact. energy: -0.370
local terms energy: -89.476437
where:
bonds (distance) C4'-P energy: -31.335
bonds (distance) P-C4' energy: -25.402
flat angles C4'-P-C4' energy: -22.602
flat angles P-C4'-P energy: -14.541
tors. eta vs tors. theta energy: 4.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -526.978250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.978250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.978250 (E_RNA)
where:
Base-Base interactions energy: -353.880
where: short stacking energy: -161.018
Base-Backbone interact. energy: -1.476
local terms energy: -171.622413
where:
bonds (distance) C4'-P energy: -32.404
bonds (distance) P-C4' energy: -32.611
flat angles C4'-P-C4' energy: -38.417
flat angles P-C4'-P energy: -22.677
tors. eta vs tors. theta energy: -45.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -530.744308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.744308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.744308 (E_RNA)
where:
Base-Base interactions energy: -358.688
where: short stacking energy: -167.476
Base-Backbone interact. energy: -0.202
local terms energy: -171.853424
where:
bonds (distance) C4'-P energy: -34.536
bonds (distance) P-C4' energy: -32.707
flat angles C4'-P-C4' energy: -32.401
flat angles P-C4'-P energy: -24.217
tors. eta vs tors. theta energy: -47.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -461.734979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.734979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.734979 (E_RNA)
where:
Base-Base interactions energy: -294.697
where: short stacking energy: -133.485
Base-Backbone interact. energy: -1.624
local terms energy: -165.414905
where:
bonds (distance) C4'-P energy: -31.353
bonds (distance) P-C4' energy: -34.536
flat angles C4'-P-C4' energy: -34.506
flat angles P-C4'-P energy: -27.397
tors. eta vs tors. theta energy: -37.622
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: 4, replica: 10
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -478.054919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.054919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.054919 (E_RNA)
where:
Base-Base interactions energy: -321.708
where: short stacking energy: -144.912
Base-Backbone interact. energy: -0.094
local terms energy: -156.253666
where:
bonds (distance) C4'-P energy: -32.062
bonds (distance) P-C4' energy: -27.302
flat angles C4'-P-C4' energy: -31.052
flat angles P-C4'-P energy: -28.097
tors. eta vs tors. theta energy: -37.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -438.803505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.803505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.803505 (E_RNA)
where:
Base-Base interactions energy: -286.711
where: short stacking energy: -131.745
Base-Backbone interact. energy: -0.568
local terms energy: -151.524213
where:
bonds (distance) C4'-P energy: -29.746
bonds (distance) P-C4' energy: -35.358
flat angles C4'-P-C4' energy: -33.488
flat angles P-C4'-P energy: -16.761
tors. eta vs tors. theta energy: -36.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -349.691803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.691803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.691803 (E_RNA)
where:
Base-Base interactions energy: -210.082
where: short stacking energy: -109.624
Base-Backbone interact. energy: 0.878
local terms energy: -140.488083
where:
bonds (distance) C4'-P energy: -32.781
bonds (distance) P-C4' energy: -25.821
flat angles C4'-P-C4' energy: -35.055
flat angles P-C4'-P energy: -20.091
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: 7, replica: 3
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -363.555359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.555359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.555359 (E_RNA)
where:
Base-Base interactions energy: -237.899
where: short stacking energy: -103.540
Base-Backbone interact. energy: -1.101
local terms energy: -124.555715
where:
bonds (distance) C4'-P energy: -27.543
bonds (distance) P-C4' energy: -27.378
flat angles C4'-P-C4' energy: -29.985
flat angles P-C4'-P energy: -22.067
tors. eta vs tors. theta energy: -17.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -322.536694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.536694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.536694 (E_RNA)
where:
Base-Base interactions energy: -205.652
where: short stacking energy: -112.509
Base-Backbone interact. energy: 3.561
local terms energy: -120.446220
where:
bonds (distance) C4'-P energy: -25.083
bonds (distance) P-C4' energy: -26.543
flat angles C4'-P-C4' energy: -23.752
flat angles P-C4'-P energy: -19.865
tors. eta vs tors. theta energy: -25.203
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: 9, replica: 4
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -193.355648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.355648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.355648 (E_RNA)
where:
Base-Base interactions energy: -104.055
where: short stacking energy: -61.082
Base-Backbone interact. energy: -0.712
local terms energy: -88.588285
where:
bonds (distance) C4'-P energy: -17.670
bonds (distance) P-C4' energy: -23.420
flat angles C4'-P-C4' energy: -23.433
flat angles P-C4'-P energy: -13.682
tors. eta vs tors. theta energy: -10.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -151.363945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.363945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.363945 (E_RNA)
where:
Base-Base interactions energy: -50.450
where: short stacking energy: -50.290
Base-Backbone interact. energy: -0.167
local terms energy: -100.746577
where:
bonds (distance) C4'-P energy: -27.810
bonds (distance) P-C4' energy: -28.613
flat angles C4'-P-C4' energy: -22.085
flat angles P-C4'-P energy: -17.441
tors. eta vs tors. theta energy: -4.797
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: 1, replica: 2
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -532.604246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.604246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.604246 (E_RNA)
where:
Base-Base interactions energy: -363.798
where: short stacking energy: -164.148
Base-Backbone interact. energy: -0.981
local terms energy: -167.826018
where:
bonds (distance) C4'-P energy: -30.302
bonds (distance) P-C4' energy: -27.478
flat angles C4'-P-C4' energy: -39.111
flat angles P-C4'-P energy: -25.811
tors. eta vs tors. theta energy: -45.123
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: 6
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -533.874892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.874892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.874892 (E_RNA)
where:
Base-Base interactions energy: -363.759
where: short stacking energy: -152.392
Base-Backbone interact. energy: -1.399
local terms energy: -168.717466
where:
bonds (distance) C4'-P energy: -32.072
bonds (distance) P-C4' energy: -28.702
flat angles C4'-P-C4' energy: -32.056
flat angles P-C4'-P energy: -29.329
tors. eta vs tors. theta energy: -46.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -496.397734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.397734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.397734 (E_RNA)
where:
Base-Base interactions energy: -347.463
where: short stacking energy: -157.262
Base-Backbone interact. energy: -0.111
local terms energy: -148.824026
where:
bonds (distance) C4'-P energy: -29.678
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -37.482
flat angles P-C4'-P energy: -21.712
tors. eta vs tors. theta energy: -41.364
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: 4, replica: 7
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -466.154624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.154624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.154624 (E_RNA)
where:
Base-Base interactions energy: -309.757
where: short stacking energy: -140.787
Base-Backbone interact. energy: -1.658
local terms energy: -154.739906
where:
bonds (distance) C4'-P energy: -26.029
bonds (distance) P-C4' energy: -28.496
flat angles C4'-P-C4' energy: -35.434
flat angles P-C4'-P energy: -23.792
tors. eta vs tors. theta energy: -40.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -397.341075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.341075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.341075 (E_RNA)
where:
Base-Base interactions energy: -261.721
where: short stacking energy: -122.869
Base-Backbone interact. energy: -0.412
local terms energy: -135.207811
where:
bonds (distance) C4'-P energy: -27.492
bonds (distance) P-C4' energy: -26.542
flat angles C4'-P-C4' energy: -29.457
flat angles P-C4'-P energy: -17.675
tors. eta vs tors. theta energy: -34.041
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: 5
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -349.332041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.332041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.332041 (E_RNA)
where:
Base-Base interactions energy: -209.088
where: short stacking energy: -96.373
Base-Backbone interact. energy: -1.958
local terms energy: -138.285508
where:
bonds (distance) C4'-P energy: -33.326
bonds (distance) P-C4' energy: -26.935
flat angles C4'-P-C4' energy: -36.053
flat angles P-C4'-P energy: -23.803
tors. eta vs tors. theta energy: -18.169
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: 7, replica: 3
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -383.148841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.148841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.148841 (E_RNA)
where:
Base-Base interactions energy: -241.563
where: short stacking energy: -117.952
Base-Backbone interact. energy: 0.724
local terms energy: -142.310108
where:
bonds (distance) C4'-P energy: -21.659
bonds (distance) P-C4' energy: -30.904
flat angles C4'-P-C4' energy: -33.925
flat angles P-C4'-P energy: -23.347
tors. eta vs tors. theta energy: -32.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -330.928325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.928325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.928325 (E_RNA)
where:
Base-Base interactions energy: -214.999
where: short stacking energy: -98.291
Base-Backbone interact. energy: -1.156
local terms energy: -114.772867
where:
bonds (distance) C4'-P energy: -27.188
bonds (distance) P-C4' energy: -19.786
flat angles C4'-P-C4' energy: -31.503
flat angles P-C4'-P energy: -19.237
tors. eta vs tors. theta energy: -17.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -156.457949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.457949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.457949 (E_RNA)
where:
Base-Base interactions energy: -50.961
where: short stacking energy: -47.783
Base-Backbone interact. energy: 0.211
local terms energy: -105.707687
where:
bonds (distance) C4'-P energy: -22.527
bonds (distance) P-C4' energy: -34.350
flat angles C4'-P-C4' energy: -28.382
flat angles P-C4'-P energy: -24.971
tors. eta vs tors. theta energy: 4.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -160.430683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.430683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.430683 (E_RNA)
where:
Base-Base interactions energy: -72.673
where: short stacking energy: -48.598
Base-Backbone interact. energy: -0.930
local terms energy: -86.827957
where:
bonds (distance) C4'-P energy: -21.944
bonds (distance) P-C4' energy: -32.658
flat angles C4'-P-C4' energy: -21.751
flat angles P-C4'-P energy: -13.202
tors. eta vs tors. theta energy: 2.727
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: 2
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -541.922633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.922633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.922633 (E_RNA)
where:
Base-Base interactions energy: -382.881
where: short stacking energy: -169.134
Base-Backbone interact. energy: -0.523
local terms energy: -158.519496
where:
bonds (distance) C4'-P energy: -33.983
bonds (distance) P-C4' energy: -23.361
flat angles C4'-P-C4' energy: -28.129
flat angles P-C4'-P energy: -31.276
tors. eta vs tors. theta energy: -41.770
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: 257
Temperature: 0.950000
Total energy: -531.221341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.221341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.221341 (E_RNA)
where:
Base-Base interactions energy: -357.049
where: short stacking energy: -168.191
Base-Backbone interact. energy: -0.718
local terms energy: -173.453722
where:
bonds (distance) C4'-P energy: -25.763
bonds (distance) P-C4' energy: -36.391
flat angles C4'-P-C4' energy: -36.666
flat angles P-C4'-P energy: -24.040
tors. eta vs tors. theta energy: -50.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -498.046149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.046149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.046149 (E_RNA)
where:
Base-Base interactions energy: -326.276
where: short stacking energy: -158.276
Base-Backbone interact. energy: -0.355
local terms energy: -171.415604
where:
bonds (distance) C4'-P energy: -34.209
bonds (distance) P-C4' energy: -30.155
flat angles C4'-P-C4' energy: -38.173
flat angles P-C4'-P energy: -24.229
tors. eta vs tors. theta energy: -44.650
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: 7
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -474.599190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.599190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.599190 (E_RNA)
where:
Base-Base interactions energy: -317.351
where: short stacking energy: -130.747
Base-Backbone interact. energy: -2.413
local terms energy: -154.834852
where:
bonds (distance) C4'-P energy: -28.015
bonds (distance) P-C4' energy: -29.611
flat angles C4'-P-C4' energy: -35.624
flat angles P-C4'-P energy: -23.131
tors. eta vs tors. theta energy: -38.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -418.323413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.323413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.323413 (E_RNA)
where:
Base-Base interactions energy: -268.167
where: short stacking energy: -120.702
Base-Backbone interact. energy: -1.742
local terms energy: -148.413871
where:
bonds (distance) C4'-P energy: -31.587
bonds (distance) P-C4' energy: -28.269
flat angles C4'-P-C4' energy: -31.207
flat angles P-C4'-P energy: -21.567
tors. eta vs tors. theta energy: -35.783
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: 5
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -361.824690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.824690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.824690 (E_RNA)
where:
Base-Base interactions energy: -215.730
where: short stacking energy: -129.763
Base-Backbone interact. energy: -0.315
local terms energy: -145.779052
where:
bonds (distance) C4'-P energy: -27.331
bonds (distance) P-C4' energy: -29.307
flat angles C4'-P-C4' energy: -32.045
flat angles P-C4'-P energy: -17.465
tors. eta vs tors. theta energy: -39.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -362.844188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.844188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.844188 (E_RNA)
where:
Base-Base interactions energy: -223.969
where: short stacking energy: -102.930
Base-Backbone interact. energy: -1.126
local terms energy: -137.749676
where:
bonds (distance) C4'-P energy: -29.753
bonds (distance) P-C4' energy: -34.585
flat angles C4'-P-C4' energy: -25.533
flat angles P-C4'-P energy: -22.391
tors. eta vs tors. theta energy: -25.487
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: 8, replica: 8
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -329.032466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.032466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.032466 (E_RNA)
where:
Base-Base interactions energy: -198.749
where: short stacking energy: -96.623
Base-Backbone interact. energy: -0.254
local terms energy: -130.029886
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -35.089
flat angles C4'-P-C4' energy: -33.242
flat angles P-C4'-P energy: -26.030
tors. eta vs tors. theta energy: -22.678
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: 9
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -151.398605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.398605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.398605 (E_RNA)
where:
Base-Base interactions energy: -61.711
where: short stacking energy: -42.995
Base-Backbone interact. energy: -0.046
local terms energy: -89.641086
where:
bonds (distance) C4'-P energy: -19.673
bonds (distance) P-C4' energy: -29.742
flat angles C4'-P-C4' energy: -30.014
flat angles P-C4'-P energy: -18.264
tors. eta vs tors. theta energy: 8.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -149.742189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.742189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.742189 (E_RNA)
where:
Base-Base interactions energy: -64.999
where: short stacking energy: -57.099
Base-Backbone interact. energy: 1.068
local terms energy: -85.811186
where:
bonds (distance) C4'-P energy: -19.837
bonds (distance) P-C4' energy: -21.470
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -16.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -553.472235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.472235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.472235 (E_RNA)
where:
Base-Base interactions energy: -385.309
where: short stacking energy: -162.136
Base-Backbone interact. energy: -0.949
local terms energy: -167.214590
where:
bonds (distance) C4'-P energy: -32.364
bonds (distance) P-C4' energy: -27.220
flat angles C4'-P-C4' energy: -35.504
flat angles P-C4'-P energy: -24.285
tors. eta vs tors. theta energy: -47.842
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: 2
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -541.325987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.325987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.325987 (E_RNA)
where:
Base-Base interactions energy: -376.237
where: short stacking energy: -163.614
Base-Backbone interact. energy: -0.091
local terms energy: -164.998370
where:
bonds (distance) C4'-P energy: -35.538
bonds (distance) P-C4' energy: -27.927
flat angles C4'-P-C4' energy: -32.255
flat angles P-C4'-P energy: -28.087
tors. eta vs tors. theta energy: -41.192
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: 3, replica: 10
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -502.695190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.695190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.695190 (E_RNA)
where:
Base-Base interactions energy: -349.004
where: short stacking energy: -158.450
Base-Backbone interact. energy: -0.181
local terms energy: -153.510960
where:
bonds (distance) C4'-P energy: -21.958
bonds (distance) P-C4' energy: -32.383
flat angles C4'-P-C4' energy: -34.618
flat angles P-C4'-P energy: -17.092
tors. eta vs tors. theta energy: -47.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -453.112624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.112624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.112624 (E_RNA)
where:
Base-Base interactions energy: -301.007
where: short stacking energy: -141.694
Base-Backbone interact. energy: -3.380
local terms energy: -148.725116
where:
bonds (distance) C4'-P energy: -26.973
bonds (distance) P-C4' energy: -25.800
flat angles C4'-P-C4' energy: -36.497
flat angles P-C4'-P energy: -23.173
tors. eta vs tors. theta energy: -36.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -427.487342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.487342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.487342 (E_RNA)
where:
Base-Base interactions energy: -286.626
where: short stacking energy: -117.092
Base-Backbone interact. energy: -1.130
local terms energy: -139.731796
where:
bonds (distance) C4'-P energy: -29.284
bonds (distance) P-C4' energy: -28.156
flat angles C4'-P-C4' energy: -29.368
flat angles P-C4'-P energy: -14.877
tors. eta vs tors. theta energy: -38.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -369.929660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.929660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.929660 (E_RNA)
where:
Base-Base interactions energy: -231.605
where: short stacking energy: -109.922
Base-Backbone interact. energy: -0.735
local terms energy: -137.589364
where:
bonds (distance) C4'-P energy: -20.999
bonds (distance) P-C4' energy: -37.050
flat angles C4'-P-C4' energy: -31.427
flat angles P-C4'-P energy: -20.289
tors. eta vs tors. theta energy: -27.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -322.624516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.624516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.624516 (E_RNA)
where:
Base-Base interactions energy: -182.679
where: short stacking energy: -98.244
Base-Backbone interact. energy: -0.187
local terms energy: -139.759172
where:
bonds (distance) C4'-P energy: -31.529
bonds (distance) P-C4' energy: -29.832
flat angles C4'-P-C4' energy: -30.921
flat angles P-C4'-P energy: -21.062
tors. eta vs tors. theta energy: -26.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -316.323234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.323234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.323234 (E_RNA)
where:
Base-Base interactions energy: -193.395
where: short stacking energy: -87.019
Base-Backbone interact. energy: -0.132
local terms energy: -122.795622
where:
bonds (distance) C4'-P energy: -31.070
bonds (distance) P-C4' energy: -29.465
flat angles C4'-P-C4' energy: -27.168
flat angles P-C4'-P energy: -17.623
tors. eta vs tors. theta energy: -17.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -175.696161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.696161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.696161 (E_RNA)
where:
Base-Base interactions energy: -70.390
where: short stacking energy: -50.686
Base-Backbone interact. energy: -0.519
local terms energy: -104.787313
where:
bonds (distance) C4'-P energy: -27.175
bonds (distance) P-C4' energy: -29.359
flat angles C4'-P-C4' energy: -25.844
flat angles P-C4'-P energy: -19.437
tors. eta vs tors. theta energy: -2.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -142.831356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.831356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.831356 (E_RNA)
where:
Base-Base interactions energy: -51.825
where: short stacking energy: -49.113
Base-Backbone interact. energy: 3.826
local terms energy: -94.832109
where:
bonds (distance) C4'-P energy: -24.986
bonds (distance) P-C4' energy: -31.521
flat angles C4'-P-C4' energy: -22.716
flat angles P-C4'-P energy: -13.631
tors. eta vs tors. theta energy: -1.978
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: 6
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -551.314195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.314195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.314195 (E_RNA)
where:
Base-Base interactions energy: -388.104
where: short stacking energy: -171.394
Base-Backbone interact. energy: 0.499
local terms energy: -163.709835
where:
bonds (distance) C4'-P energy: -28.119
bonds (distance) P-C4' energy: -31.845
flat angles C4'-P-C4' energy: -40.073
flat angles P-C4'-P energy: -20.481
tors. eta vs tors. theta energy: -43.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -526.858095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.858095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.858095 (E_RNA)
where:
Base-Base interactions energy: -362.299
where: short stacking energy: -151.730
Base-Backbone interact. energy: 0.528
local terms energy: -165.087675
where:
bonds (distance) C4'-P energy: -33.286
bonds (distance) P-C4' energy: -33.070
flat angles C4'-P-C4' energy: -34.571
flat angles P-C4'-P energy: -24.380
tors. eta vs tors. theta energy: -39.780
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: 10
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -521.949593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.949593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.949593 (E_RNA)
where:
Base-Base interactions energy: -361.563
where: short stacking energy: -167.489
Base-Backbone interact. energy: -0.450
local terms energy: -159.937086
where:
bonds (distance) C4'-P energy: -30.304
bonds (distance) P-C4' energy: -26.442
flat angles C4'-P-C4' energy: -37.295
flat angles P-C4'-P energy: -19.026
tors. eta vs tors. theta energy: -46.871
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: 4, replica: 1
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -454.949598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.949598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.949598 (E_RNA)
where:
Base-Base interactions energy: -300.544
where: short stacking energy: -136.276
Base-Backbone interact. energy: -1.793
local terms energy: -152.612902
where:
bonds (distance) C4'-P energy: -28.265
bonds (distance) P-C4' energy: -28.478
flat angles C4'-P-C4' energy: -30.150
flat angles P-C4'-P energy: -24.671
tors. eta vs tors. theta energy: -41.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -419.135837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.135837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.135837 (E_RNA)
where:
Base-Base interactions energy: -272.344
where: short stacking energy: -122.942
Base-Backbone interact. energy: -0.713
local terms energy: -146.078696
where:
bonds (distance) C4'-P energy: -27.531
bonds (distance) P-C4' energy: -31.437
flat angles C4'-P-C4' energy: -31.940
flat angles P-C4'-P energy: -23.869
tors. eta vs tors. theta energy: -31.302
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: 259
Temperature: 1.150000
Total energy: -365.556555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.556555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.556555 (E_RNA)
where:
Base-Base interactions energy: -242.447
where: short stacking energy: -108.994
Base-Backbone interact. energy: -0.415
local terms energy: -122.694701
where:
bonds (distance) C4'-P energy: -27.018
bonds (distance) P-C4' energy: -22.752
flat angles C4'-P-C4' energy: -31.230
flat angles P-C4'-P energy: -20.140
tors. eta vs tors. theta energy: -21.554
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: 259
Temperature: 1.200000
Total energy: -338.311545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.311545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.311545 (E_RNA)
where:
Base-Base interactions energy: -209.358
where: short stacking energy: -118.661
Base-Backbone interact. energy: -0.113
local terms energy: -128.840191
where:
bonds (distance) C4'-P energy: -22.843
bonds (distance) P-C4' energy: -24.158
flat angles C4'-P-C4' energy: -31.389
flat angles P-C4'-P energy: -20.445
tors. eta vs tors. theta energy: -30.006
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: 3
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -315.674562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.674562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.674562 (E_RNA)
where:
Base-Base interactions energy: -200.000
where: short stacking energy: -96.113
Base-Backbone interact. energy: 0.163
local terms energy: -115.837289
where:
bonds (distance) C4'-P energy: -23.282
bonds (distance) P-C4' energy: -27.305
flat angles C4'-P-C4' energy: -26.061
flat angles P-C4'-P energy: -21.603
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: 9, replica: 4
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -178.594082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.594082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.594082 (E_RNA)
where:
Base-Base interactions energy: -79.522
where: short stacking energy: -57.710
Base-Backbone interact. energy: -0.462
local terms energy: -98.610221
where:
bonds (distance) C4'-P energy: -25.206
bonds (distance) P-C4' energy: -26.149
flat angles C4'-P-C4' energy: -25.828
flat angles P-C4'-P energy: -16.548
tors. eta vs tors. theta energy: -4.878
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: 9
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -158.379591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.379591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.379591 (E_RNA)
where:
Base-Base interactions energy: -75.225
where: short stacking energy: -64.599
Base-Backbone interact. energy: -1.393
local terms energy: -81.761629
where:
bonds (distance) C4'-P energy: -23.025
bonds (distance) P-C4' energy: -24.087
flat angles C4'-P-C4' energy: -17.328
flat angles P-C4'-P energy: -19.902
tors. eta vs tors. theta energy: 2.581
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: 1, replica: 6
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -550.254264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.254264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.254264 (E_RNA)
where:
Base-Base interactions energy: -383.499
where: short stacking energy: -172.557
Base-Backbone interact. energy: -0.174
local terms energy: -166.580982
where:
bonds (distance) C4'-P energy: -28.827
bonds (distance) P-C4' energy: -25.049
flat angles C4'-P-C4' energy: -32.619
flat angles P-C4'-P energy: -30.689
tors. eta vs tors. theta energy: -49.397
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: 2
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -531.696504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.696504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.696504 (E_RNA)
where:
Base-Base interactions energy: -366.208
where: short stacking energy: -170.836
Base-Backbone interact. energy: -0.276
local terms energy: -165.212359
where:
bonds (distance) C4'-P energy: -30.692
bonds (distance) P-C4' energy: -32.023
flat angles C4'-P-C4' energy: -33.209
flat angles P-C4'-P energy: -23.338
tors. eta vs tors. theta energy: -45.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -451.694128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.694128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.694128 (E_RNA)
where:
Base-Base interactions energy: -290.082
where: short stacking energy: -126.664
Base-Backbone interact. energy: 0.603
local terms energy: -162.214480
where:
bonds (distance) C4'-P energy: -30.687
bonds (distance) P-C4' energy: -33.500
flat angles C4'-P-C4' energy: -37.390
flat angles P-C4'-P energy: -27.025
tors. eta vs tors. theta energy: -33.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -487.734161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.734161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.734161 (E_RNA)
where:
Base-Base interactions energy: -329.482
where: short stacking energy: -142.960
Base-Backbone interact. energy: -0.986
local terms energy: -157.266376
where:
bonds (distance) C4'-P energy: -32.436
bonds (distance) P-C4' energy: -28.714
flat angles C4'-P-C4' energy: -31.019
flat angles P-C4'-P energy: -22.499
tors. eta vs tors. theta energy: -42.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -408.633170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.633170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.633170 (E_RNA)
where:
Base-Base interactions energy: -273.984
where: short stacking energy: -112.116
Base-Backbone interact. energy: -1.819
local terms energy: -132.830946
where:
bonds (distance) C4'-P energy: -26.240
bonds (distance) P-C4' energy: -32.332
flat angles C4'-P-C4' energy: -27.694
flat angles P-C4'-P energy: -21.413
tors. eta vs tors. theta energy: -25.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -378.447471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.447471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.447471 (E_RNA)
where:
Base-Base interactions energy: -240.871
where: short stacking energy: -122.607
Base-Backbone interact. energy: 0.551
local terms energy: -138.127117
where:
bonds (distance) C4'-P energy: -20.164
bonds (distance) P-C4' energy: -32.541
flat angles C4'-P-C4' energy: -34.268
flat angles P-C4'-P energy: -16.345
tors. eta vs tors. theta energy: -34.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -334.980360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.980360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.980360 (E_RNA)
where:
Base-Base interactions energy: -213.904
where: short stacking energy: -99.876
Base-Backbone interact. energy: -0.782
local terms energy: -120.294088
where:
bonds (distance) C4'-P energy: -34.217
bonds (distance) P-C4' energy: -33.492
flat angles C4'-P-C4' energy: -28.722
flat angles P-C4'-P energy: -7.666
tors. eta vs tors. theta energy: -16.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -324.194311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.194311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.194311 (E_RNA)
where:
Base-Base interactions energy: -195.692
where: short stacking energy: -95.715
Base-Backbone interact. energy: -0.487
local terms energy: -128.015160
where:
bonds (distance) C4'-P energy: -28.780
bonds (distance) P-C4' energy: -29.767
flat angles C4'-P-C4' energy: -26.321
flat angles P-C4'-P energy: -20.888
tors. eta vs tors. theta energy: -22.258
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: 9
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -152.579374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.579374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.579374 (E_RNA)
where:
Base-Base interactions energy: -53.598
where: short stacking energy: -49.367
Base-Backbone interact. energy: -0.721
local terms energy: -98.260857
where:
bonds (distance) C4'-P energy: -30.078
bonds (distance) P-C4' energy: -24.574
flat angles C4'-P-C4' energy: -27.229
flat angles P-C4'-P energy: -26.033
tors. eta vs tors. theta energy: 9.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -154.544521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.544521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.544521 (E_RNA)
where:
Base-Base interactions energy: -60.623
where: short stacking energy: -35.570
Base-Backbone interact. energy: -0.383
local terms energy: -93.538494
where:
bonds (distance) C4'-P energy: -24.493
bonds (distance) P-C4' energy: -27.260
flat angles C4'-P-C4' energy: -26.618
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -3.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -556.254845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.254845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.254845 (E_RNA)
where:
Base-Base interactions energy: -382.788
where: short stacking energy: -173.021
Base-Backbone interact. energy: -0.036
local terms energy: -173.430395
where:
bonds (distance) C4'-P energy: -25.747
bonds (distance) P-C4' energy: -34.750
flat angles C4'-P-C4' energy: -38.305
flat angles P-C4'-P energy: -25.680
tors. eta vs tors. theta energy: -48.950
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: 2, replica: 2
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -531.849795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.849795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.849795 (E_RNA)
where:
Base-Base interactions energy: -363.116
where: short stacking energy: -167.037
Base-Backbone interact. energy: 0.480
local terms energy: -169.213982
where:
bonds (distance) C4'-P energy: -31.561
bonds (distance) P-C4' energy: -31.595
flat angles C4'-P-C4' energy: -33.789
flat angles P-C4'-P energy: -24.995
tors. eta vs tors. theta energy: -47.273
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: 1
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -453.682631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.682631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.682631 (E_RNA)
where:
Base-Base interactions energy: -301.081
where: short stacking energy: -133.622
Base-Backbone interact. energy: -1.623
local terms energy: -150.977905
where:
bonds (distance) C4'-P energy: -33.222
bonds (distance) P-C4' energy: -28.362
flat angles C4'-P-C4' energy: -29.922
flat angles P-C4'-P energy: -20.269
tors. eta vs tors. theta energy: -39.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -481.373461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.373461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.373461 (E_RNA)
where:
Base-Base interactions energy: -318.807
where: short stacking energy: -140.758
Base-Backbone interact. energy: -0.748
local terms energy: -161.818217
where:
bonds (distance) C4'-P energy: -27.660
bonds (distance) P-C4' energy: -33.805
flat angles C4'-P-C4' energy: -33.366
flat angles P-C4'-P energy: -27.883
tors. eta vs tors. theta energy: -39.104
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: 7
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -439.117043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.117043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.117043 (E_RNA)
where:
Base-Base interactions energy: -284.283
where: short stacking energy: -123.559
Base-Backbone interact. energy: -1.649
local terms energy: -153.185002
where:
bonds (distance) C4'-P energy: -31.199
bonds (distance) P-C4' energy: -36.210
flat angles C4'-P-C4' energy: -29.514
flat angles P-C4'-P energy: -15.435
tors. eta vs tors. theta energy: -40.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -366.577475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.577475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.577475 (E_RNA)
where:
Base-Base interactions energy: -234.841
where: short stacking energy: -116.755
Base-Backbone interact. energy: 0.640
local terms energy: -132.376773
where:
bonds (distance) C4'-P energy: -25.026
bonds (distance) P-C4' energy: -26.388
flat angles C4'-P-C4' energy: -26.298
flat angles P-C4'-P energy: -20.937
tors. eta vs tors. theta energy: -33.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -340.052298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.052298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.052298 (E_RNA)
where:
Base-Base interactions energy: -211.382
where: short stacking energy: -107.571
Base-Backbone interact. energy: -0.065
local terms energy: -128.605747
where:
bonds (distance) C4'-P energy: -30.650
bonds (distance) P-C4' energy: -22.802
flat angles C4'-P-C4' energy: -25.882
flat angles P-C4'-P energy: -19.378
tors. eta vs tors. theta energy: -29.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -335.610826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.610826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.610826 (E_RNA)
where:
Base-Base interactions energy: -209.965
where: short stacking energy: -97.696
Base-Backbone interact. energy: -0.249
local terms energy: -125.397468
where:
bonds (distance) C4'-P energy: -21.619
bonds (distance) P-C4' energy: -34.349
flat angles C4'-P-C4' energy: -24.752
flat angles P-C4'-P energy: -22.173
tors. eta vs tors. theta energy: -22.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -170.915319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.915319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.915319 (E_RNA)
where:
Base-Base interactions energy: -65.909
where: short stacking energy: -55.109
Base-Backbone interact. energy: -0.472
local terms energy: -104.534163
where:
bonds (distance) C4'-P energy: -31.840
bonds (distance) P-C4' energy: -24.836
flat angles C4'-P-C4' energy: -28.314
flat angles P-C4'-P energy: -15.472
tors. eta vs tors. theta energy: -4.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -145.075414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.075414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.075414 (E_RNA)
where:
Base-Base interactions energy: -51.405
where: short stacking energy: -38.311
Base-Backbone interact. energy: 3.000
local terms energy: -96.670768
where:
bonds (distance) C4'-P energy: -28.576
bonds (distance) P-C4' energy: -25.127
flat angles C4'-P-C4' energy: -21.998
flat angles P-C4'-P energy: -17.328
tors. eta vs tors. theta energy: -3.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -546.898293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.898293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.898293 (E_RNA)
where:
Base-Base interactions energy: -364.189
where: short stacking energy: -176.455
Base-Backbone interact. energy: -0.376
local terms energy: -182.333752
where:
bonds (distance) C4'-P energy: -31.686
bonds (distance) P-C4' energy: -34.374
flat angles C4'-P-C4' energy: -37.705
flat angles P-C4'-P energy: -26.068
tors. eta vs tors. theta energy: -52.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -539.181898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.181898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.181898 (E_RNA)
where:
Base-Base interactions energy: -379.443
where: short stacking energy: -177.123
Base-Backbone interact. energy: -0.030
local terms energy: -159.709723
where:
bonds (distance) C4'-P energy: -28.975
bonds (distance) P-C4' energy: -26.031
flat angles C4'-P-C4' energy: -33.209
flat angles P-C4'-P energy: -23.560
tors. eta vs tors. theta energy: -47.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -476.508072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.508072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.508072 (E_RNA)
where:
Base-Base interactions energy: -311.349
where: short stacking energy: -136.419
Base-Backbone interact. energy: -0.838
local terms energy: -164.321759
where:
bonds (distance) C4'-P energy: -32.106
bonds (distance) P-C4' energy: -33.378
flat angles C4'-P-C4' energy: -34.916
flat angles P-C4'-P energy: -27.367
tors. eta vs tors. theta energy: -36.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -446.229253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.229253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.229253 (E_RNA)
where:
Base-Base interactions energy: -303.339
where: short stacking energy: -136.114
Base-Backbone interact. energy: -2.134
local terms energy: -140.756852
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -29.974
flat angles C4'-P-C4' energy: -31.025
flat angles P-C4'-P energy: -26.027
tors. eta vs tors. theta energy: -40.183
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: 5, replica: 3
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -383.386877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.386877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.386877 (E_RNA)
where:
Base-Base interactions energy: -232.479
where: short stacking energy: -128.683
Base-Backbone interact. energy: -0.192
local terms energy: -150.715620
where:
bonds (distance) C4'-P energy: -25.354
bonds (distance) P-C4' energy: -32.653
flat angles C4'-P-C4' energy: -34.219
flat angles P-C4'-P energy: -25.043
tors. eta vs tors. theta energy: -33.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -419.514621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.514621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.514621 (E_RNA)
where:
Base-Base interactions energy: -264.640
where: short stacking energy: -129.965
Base-Backbone interact. energy: -0.059
local terms energy: -154.815766
where:
bonds (distance) C4'-P energy: -30.548
bonds (distance) P-C4' energy: -27.835
flat angles C4'-P-C4' energy: -34.162
flat angles P-C4'-P energy: -26.695
tors. eta vs tors. theta energy: -35.577
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: 5
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -327.621743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.621743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.621743 (E_RNA)
where:
Base-Base interactions energy: -202.898
where: short stacking energy: -88.156
Base-Backbone interact. energy: 0.105
local terms energy: -124.828804
where:
bonds (distance) C4'-P energy: -28.275
bonds (distance) P-C4' energy: -31.337
flat angles C4'-P-C4' energy: -27.003
flat angles P-C4'-P energy: -17.394
tors. eta vs tors. theta energy: -20.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -331.204091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.204091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.204091 (E_RNA)
where:
Base-Base interactions energy: -205.555
where: short stacking energy: -107.330
Base-Backbone interact. energy: -0.325
local terms energy: -125.324705
where:
bonds (distance) C4'-P energy: -23.771
bonds (distance) P-C4' energy: -33.802
flat angles C4'-P-C4' energy: -29.681
flat angles P-C4'-P energy: -14.662
tors. eta vs tors. theta energy: -23.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -184.137603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.137603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.137603 (E_RNA)
where:
Base-Base interactions energy: -85.317
where: short stacking energy: -71.690
Base-Backbone interact. energy: -0.731
local terms energy: -98.089779
where:
bonds (distance) C4'-P energy: -15.934
bonds (distance) P-C4' energy: -34.484
flat angles C4'-P-C4' energy: -20.584
flat angles P-C4'-P energy: -16.645
tors. eta vs tors. theta energy: -10.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -146.033750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.033750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.033750 (E_RNA)
where:
Base-Base interactions energy: -42.466
where: short stacking energy: -42.466
Base-Backbone interact. energy: 1.196
local terms energy: -104.763766
where:
bonds (distance) C4'-P energy: -26.239
bonds (distance) P-C4' energy: -29.420
flat angles C4'-P-C4' energy: -29.732
flat angles P-C4'-P energy: -19.876
tors. eta vs tors. theta energy: 0.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -540.367722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.367722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.367722 (E_RNA)
where:
Base-Base interactions energy: -359.920
where: short stacking energy: -176.874
Base-Backbone interact. energy: -0.002
local terms energy: -180.445321
where:
bonds (distance) C4'-P energy: -32.995
bonds (distance) P-C4' energy: -33.302
flat angles C4'-P-C4' energy: -32.302
flat angles P-C4'-P energy: -26.827
tors. eta vs tors. theta energy: -55.020
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: 6
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -532.268938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.268938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.268938 (E_RNA)
where:
Base-Base interactions energy: -366.965
where: short stacking energy: -164.865
Base-Backbone interact. energy: -1.021
local terms energy: -164.282649
where:
bonds (distance) C4'-P energy: -32.302
bonds (distance) P-C4' energy: -31.199
flat angles C4'-P-C4' energy: -35.161
flat angles P-C4'-P energy: -22.407
tors. eta vs tors. theta energy: -43.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -498.511230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.511230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.511230 (E_RNA)
where:
Base-Base interactions energy: -348.707
where: short stacking energy: -158.113
Base-Backbone interact. energy: -0.609
local terms energy: -149.195696
where:
bonds (distance) C4'-P energy: -30.155
bonds (distance) P-C4' energy: -24.945
flat angles C4'-P-C4' energy: -32.238
flat angles P-C4'-P energy: -22.601
tors. eta vs tors. theta energy: -39.257
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: 1
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -437.861502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.861502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.861502 (E_RNA)
where:
Base-Base interactions energy: -285.180
where: short stacking energy: -139.000
Base-Backbone interact. energy: -0.170
local terms energy: -152.511264
where:
bonds (distance) C4'-P energy: -30.921
bonds (distance) P-C4' energy: -34.195
flat angles C4'-P-C4' energy: -29.661
flat angles P-C4'-P energy: -20.186
tors. eta vs tors. theta energy: -37.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -367.699516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.699516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.699516 (E_RNA)
where:
Base-Base interactions energy: -214.103
where: short stacking energy: -104.249
Base-Backbone interact. energy: -0.508
local terms energy: -153.087766
where:
bonds (distance) C4'-P energy: -26.993
bonds (distance) P-C4' energy: -37.470
flat angles C4'-P-C4' energy: -37.006
flat angles P-C4'-P energy: -25.246
tors. eta vs tors. theta energy: -26.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -409.918796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.918796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.918796 (E_RNA)
where:
Base-Base interactions energy: -273.569
where: short stacking energy: -129.424
Base-Backbone interact. energy: -0.030
local terms energy: -136.319401
where:
bonds (distance) C4'-P energy: -25.493
bonds (distance) P-C4' energy: -33.776
flat angles C4'-P-C4' energy: -23.083
flat angles P-C4'-P energy: -15.884
tors. eta vs tors. theta energy: -38.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -349.200810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.200810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.200810 (E_RNA)
where:
Base-Base interactions energy: -207.842
where: short stacking energy: -109.402
Base-Backbone interact. energy: -0.451
local terms energy: -140.907457
where:
bonds (distance) C4'-P energy: -24.548
bonds (distance) P-C4' energy: -37.051
flat angles C4'-P-C4' energy: -29.273
flat angles P-C4'-P energy: -18.094
tors. eta vs tors. theta energy: -31.941
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: 8
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -296.055135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.055135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.055135 (E_RNA)
where:
Base-Base interactions energy: -182.175
where: short stacking energy: -89.866
Base-Backbone interact. energy: 1.193
local terms energy: -115.073029
where:
bonds (distance) C4'-P energy: -18.579
bonds (distance) P-C4' energy: -36.463
flat angles C4'-P-C4' energy: -22.741
flat angles P-C4'-P energy: -19.325
tors. eta vs tors. theta energy: -17.965
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: 4
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -152.783981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.783981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.783981 (E_RNA)
where:
Base-Base interactions energy: -50.430
where: short stacking energy: -50.430
Base-Backbone interact. energy: -0.434
local terms energy: -101.920646
where:
bonds (distance) C4'-P energy: -28.760
bonds (distance) P-C4' energy: -28.258
flat angles C4'-P-C4' energy: -28.973
flat angles P-C4'-P energy: -12.478
tors. eta vs tors. theta energy: -3.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -149.935357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.935357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.935357 (E_RNA)
where:
Base-Base interactions energy: -61.822
where: short stacking energy: -51.194
Base-Backbone interact. energy: -0.615
local terms energy: -87.499260
where:
bonds (distance) C4'-P energy: -27.327
bonds (distance) P-C4' energy: -24.567
flat angles C4'-P-C4' energy: -25.120
flat angles P-C4'-P energy: -12.624
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: 6
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -540.915881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.915881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.915881 (E_RNA)
where:
Base-Base interactions energy: -375.514
where: short stacking energy: -169.850
Base-Backbone interact. energy: -0.112
local terms energy: -165.289626
where:
bonds (distance) C4'-P energy: -30.853
bonds (distance) P-C4' energy: -30.295
flat angles C4'-P-C4' energy: -38.415
flat angles P-C4'-P energy: -24.628
tors. eta vs tors. theta energy: -41.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -527.040895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.040895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.040895 (E_RNA)
where:
Base-Base interactions energy: -354.602
where: short stacking energy: -162.310
Base-Backbone interact. energy: -0.462
local terms energy: -171.977425
where:
bonds (distance) C4'-P energy: -33.940
bonds (distance) P-C4' energy: -31.583
flat angles C4'-P-C4' energy: -32.349
flat angles P-C4'-P energy: -18.841
tors. eta vs tors. theta energy: -55.265
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: 3, replica: 10
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -489.524556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.524556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.524556 (E_RNA)
where:
Base-Base interactions energy: -337.209
where: short stacking energy: -142.787
Base-Backbone interact. energy: -1.310
local terms energy: -151.005797
where:
bonds (distance) C4'-P energy: -31.386
bonds (distance) P-C4' energy: -30.280
flat angles C4'-P-C4' energy: -31.969
flat angles P-C4'-P energy: -15.780
tors. eta vs tors. theta energy: -41.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -440.075157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.075157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.075157 (E_RNA)
where:
Base-Base interactions energy: -282.191
where: short stacking energy: -140.073
Base-Backbone interact. energy: -0.037
local terms energy: -157.847932
where:
bonds (distance) C4'-P energy: -28.187
bonds (distance) P-C4' energy: -34.898
flat angles C4'-P-C4' energy: -30.523
flat angles P-C4'-P energy: -24.033
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: 5, replica: 7
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -394.332077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.332077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.332077 (E_RNA)
where:
Base-Base interactions energy: -254.200
where: short stacking energy: -120.954
Base-Backbone interact. energy: -1.410
local terms energy: -138.722843
where:
bonds (distance) C4'-P energy: -31.593
bonds (distance) P-C4' energy: -27.382
flat angles C4'-P-C4' energy: -30.993
flat angles P-C4'-P energy: -20.613
tors. eta vs tors. theta energy: -28.141
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: 6, replica: 3
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -358.664802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.664802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.664802 (E_RNA)
where:
Base-Base interactions energy: -217.126
where: short stacking energy: -111.923
Base-Backbone interact. energy: -1.746
local terms energy: -139.792950
where:
bonds (distance) C4'-P energy: -24.297
bonds (distance) P-C4' energy: -31.497
flat angles C4'-P-C4' energy: -31.013
flat angles P-C4'-P energy: -19.647
tors. eta vs tors. theta energy: -33.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -302.189029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.189029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.189029 (E_RNA)
where:
Base-Base interactions energy: -180.121
where: short stacking energy: -87.701
Base-Backbone interact. energy: -0.728
local terms energy: -121.340276
where:
bonds (distance) C4'-P energy: -24.868
bonds (distance) P-C4' energy: -24.991
flat angles C4'-P-C4' energy: -28.043
flat angles P-C4'-P energy: -23.756
tors. eta vs tors. theta energy: -19.682
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: 8
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -266.968653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.968653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.968653 (E_RNA)
where:
Base-Base interactions energy: -149.882
where: short stacking energy: -85.192
Base-Backbone interact. energy: -1.057
local terms energy: -116.029576
where:
bonds (distance) C4'-P energy: -24.495
bonds (distance) P-C4' energy: -29.289
flat angles C4'-P-C4' energy: -29.081
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -23.601
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: 4
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -161.396536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.396536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.396536 (E_RNA)
where:
Base-Base interactions energy: -51.838
where: short stacking energy: -49.254
Base-Backbone interact. energy: -1.064
local terms energy: -108.494586
where:
bonds (distance) C4'-P energy: -36.564
bonds (distance) P-C4' energy: -31.250
flat angles C4'-P-C4' energy: -23.214
flat angles P-C4'-P energy: -13.253
tors. eta vs tors. theta energy: -4.214
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: 10, replica: 9
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -156.048701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.048701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.048701 (E_RNA)
where:
Base-Base interactions energy: -56.762
where: short stacking energy: -56.450
Base-Backbone interact. energy: -0.368
local terms energy: -98.918079
where:
bonds (distance) C4'-P energy: -27.630
bonds (distance) P-C4' energy: -28.613
flat angles C4'-P-C4' energy: -21.259
flat angles P-C4'-P energy: -16.914
tors. eta vs tors. theta energy: -4.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -551.155312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.155312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.155312 (E_RNA)
where:
Base-Base interactions energy: -384.957
where: short stacking energy: -173.696
Base-Backbone interact. energy: -0.713
local terms energy: -165.484803
where:
bonds (distance) C4'-P energy: -31.092
bonds (distance) P-C4' energy: -25.602
flat angles C4'-P-C4' energy: -36.499
flat angles P-C4'-P energy: -21.652
tors. eta vs tors. theta energy: -50.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -522.853790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.853790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.853790 (E_RNA)
where:
Base-Base interactions energy: -357.127
where: short stacking energy: -147.801
Base-Backbone interact. energy: -0.216
local terms energy: -165.510974
where:
bonds (distance) C4'-P energy: -29.026
bonds (distance) P-C4' energy: -31.554
flat angles C4'-P-C4' energy: -32.028
flat angles P-C4'-P energy: -27.978
tors. eta vs tors. theta energy: -44.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -489.656450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.656450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.656450 (E_RNA)
where:
Base-Base interactions energy: -328.623
where: short stacking energy: -143.147
Base-Backbone interact. energy: -2.171
local terms energy: -158.862728
where:
bonds (distance) C4'-P energy: -27.292
bonds (distance) P-C4' energy: -34.533
flat angles C4'-P-C4' energy: -31.759
flat angles P-C4'-P energy: -27.637
tors. eta vs tors. theta energy: -37.641
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: 4, replica: 1
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -456.812832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.812832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.812832 (E_RNA)
where:
Base-Base interactions energy: -299.140
where: short stacking energy: -152.611
Base-Backbone interact. energy: -0.865
local terms energy: -156.807643
where:
bonds (distance) C4'-P energy: -34.247
bonds (distance) P-C4' energy: -29.635
flat angles C4'-P-C4' energy: -29.453
flat angles P-C4'-P energy: -20.701
tors. eta vs tors. theta energy: -42.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -406.127427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.127427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.127427 (E_RNA)
where:
Base-Base interactions energy: -256.470
where: short stacking energy: -118.377
Base-Backbone interact. energy: -1.486
local terms energy: -148.171735
where:
bonds (distance) C4'-P energy: -35.864
bonds (distance) P-C4' energy: -30.279
flat angles C4'-P-C4' energy: -24.862
flat angles P-C4'-P energy: -22.114
tors. eta vs tors. theta energy: -35.053
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: 6, replica: 3
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -340.781145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.781145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.781145 (E_RNA)
where:
Base-Base interactions energy: -219.140
where: short stacking energy: -103.436
Base-Backbone interact. energy: -1.869
local terms energy: -119.772859
where:
bonds (distance) C4'-P energy: -21.813
bonds (distance) P-C4' energy: -25.060
flat angles C4'-P-C4' energy: -28.184
flat angles P-C4'-P energy: -18.172
tors. eta vs tors. theta energy: -26.543
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: 5
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -314.715011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.715011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.715011 (E_RNA)
where:
Base-Base interactions energy: -195.981
where: short stacking energy: -102.927
Base-Backbone interact. energy: -1.126
local terms energy: -117.607315
where:
bonds (distance) C4'-P energy: -32.999
bonds (distance) P-C4' energy: -22.863
flat angles C4'-P-C4' energy: -26.281
flat angles P-C4'-P energy: -20.509
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: 8, replica: 8
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -246.858815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.858815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.858815 (E_RNA)
where:
Base-Base interactions energy: -138.084
where: short stacking energy: -78.604
Base-Backbone interact. energy: -0.701
local terms energy: -108.073126
where:
bonds (distance) C4'-P energy: -30.681
bonds (distance) P-C4' energy: -33.588
flat angles C4'-P-C4' energy: -24.096
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -6.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -182.628548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.628548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.628548 (E_RNA)
where:
Base-Base interactions energy: -86.454
where: short stacking energy: -42.771
Base-Backbone interact. energy: 0.868
local terms energy: -97.043038
where:
bonds (distance) C4'-P energy: -25.857
bonds (distance) P-C4' energy: -29.286
flat angles C4'-P-C4' energy: -20.487
flat angles P-C4'-P energy: -20.039
tors. eta vs tors. theta energy: -1.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -143.808502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.808502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.808502 (E_RNA)
where:
Base-Base interactions energy: -41.015
where: short stacking energy: -34.917
Base-Backbone interact. energy: -0.134
local terms energy: -102.659492
where:
bonds (distance) C4'-P energy: -30.193
bonds (distance) P-C4' energy: -32.536
flat angles C4'-P-C4' energy: -22.241
flat angles P-C4'-P energy: -19.409
tors. eta vs tors. theta energy: 1.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -553.601150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.601150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.601150 (E_RNA)
where:
Base-Base interactions energy: -379.133
where: short stacking energy: -176.714
Base-Backbone interact. energy: -0.969
local terms energy: -173.498607
where:
bonds (distance) C4'-P energy: -33.483
bonds (distance) P-C4' energy: -32.201
flat angles C4'-P-C4' energy: -36.881
flat angles P-C4'-P energy: -25.510
tors. eta vs tors. theta energy: -45.424
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: 2, replica: 2
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -510.815586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.815586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.815586 (E_RNA)
where:
Base-Base interactions energy: -342.094
where: short stacking energy: -156.962
Base-Backbone interact. energy: -0.136
local terms energy: -168.585476
where:
bonds (distance) C4'-P energy: -28.600
bonds (distance) P-C4' energy: -34.348
flat angles C4'-P-C4' energy: -35.188
flat angles P-C4'-P energy: -20.445
tors. eta vs tors. theta energy: -50.004
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: 266
Temperature: 1.000000
Total energy: -506.367703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.367703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.367703 (E_RNA)
where:
Base-Base interactions energy: -343.869
where: short stacking energy: -158.871
Base-Backbone interact. energy: -1.881
local terms energy: -160.617510
where:
bonds (distance) C4'-P energy: -31.871
bonds (distance) P-C4' energy: -29.562
flat angles C4'-P-C4' energy: -34.774
flat angles P-C4'-P energy: -22.509
tors. eta vs tors. theta energy: -41.902
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: 1
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -454.438440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.438440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.438440 (E_RNA)
where:
Base-Base interactions energy: -289.711
where: short stacking energy: -146.133
Base-Backbone interact. energy: -0.189
local terms energy: -164.537870
where:
bonds (distance) C4'-P energy: -28.389
bonds (distance) P-C4' energy: -27.621
flat angles C4'-P-C4' energy: -36.280
flat angles P-C4'-P energy: -29.035
tors. eta vs tors. theta energy: -43.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -420.978579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.978579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.978579 (E_RNA)
where:
Base-Base interactions energy: -269.695
where: short stacking energy: -123.249
Base-Backbone interact. energy: -0.175
local terms energy: -151.108656
where:
bonds (distance) C4'-P energy: -28.185
bonds (distance) P-C4' energy: -33.452
flat angles C4'-P-C4' energy: -29.712
flat angles P-C4'-P energy: -24.857
tors. eta vs tors. theta energy: -34.903
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: 3
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -360.932614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.932614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.932614 (E_RNA)
where:
Base-Base interactions energy: -229.631
where: short stacking energy: -104.386
Base-Backbone interact. energy: 0.118
local terms energy: -131.419225
where:
bonds (distance) C4'-P energy: -27.693
bonds (distance) P-C4' energy: -32.700
flat angles C4'-P-C4' energy: -29.748
flat angles P-C4'-P energy: -17.681
tors. eta vs tors. theta energy: -23.597
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: 7, replica: 5
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -329.131818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.131818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.131818 (E_RNA)
where:
Base-Base interactions energy: -205.248
where: short stacking energy: -97.023
Base-Backbone interact. energy: -0.829
local terms energy: -123.055135
where:
bonds (distance) C4'-P energy: -22.719
bonds (distance) P-C4' energy: -32.473
flat angles C4'-P-C4' energy: -25.107
flat angles P-C4'-P energy: -19.102
tors. eta vs tors. theta energy: -23.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -245.793426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.793426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.793426 (E_RNA)
where:
Base-Base interactions energy: -131.479
where: short stacking energy: -81.561
Base-Backbone interact. energy: 0.425
local terms energy: -114.739434
where:
bonds (distance) C4'-P energy: -24.074
bonds (distance) P-C4' energy: -29.744
flat angles C4'-P-C4' energy: -27.403
flat angles P-C4'-P energy: -16.800
tors. eta vs tors. theta energy: -16.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -163.921898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.921898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.921898 (E_RNA)
where:
Base-Base interactions energy: -66.491
where: short stacking energy: -66.491
Base-Backbone interact. energy: -0.518
local terms energy: -96.912505
where:
bonds (distance) C4'-P energy: -25.071
bonds (distance) P-C4' energy: -32.828
flat angles C4'-P-C4' energy: -29.711
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: 0.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -140.245649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.245649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.245649 (E_RNA)
where:
Base-Base interactions energy: -58.182
where: short stacking energy: -41.909
Base-Backbone interact. energy: -0.396
local terms energy: -81.668237
where:
bonds (distance) C4'-P energy: -31.690
bonds (distance) P-C4' energy: -22.302
flat angles C4'-P-C4' energy: -23.934
flat angles P-C4'-P energy: -7.321
tors. eta vs tors. theta energy: 3.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -552.617183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.617183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.617183 (E_RNA)
where:
Base-Base interactions energy: -371.785
where: short stacking energy: -168.149
Base-Backbone interact. energy: -0.082
local terms energy: -180.750116
where:
bonds (distance) C4'-P energy: -33.120
bonds (distance) P-C4' energy: -36.058
flat angles C4'-P-C4' energy: -36.515
flat angles P-C4'-P energy: -25.343
tors. eta vs tors. theta energy: -49.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -534.546275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.546275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.546275 (E_RNA)
where:
Base-Base interactions energy: -360.296
where: short stacking energy: -167.923
Base-Backbone interact. energy: -2.379
local terms energy: -171.871466
where:
bonds (distance) C4'-P energy: -30.417
bonds (distance) P-C4' energy: -35.000
flat angles C4'-P-C4' energy: -37.755
flat angles P-C4'-P energy: -20.787
tors. eta vs tors. theta energy: -47.913
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: 3, replica: 2
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -505.523949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.523949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.523949 (E_RNA)
where:
Base-Base interactions energy: -340.325
where: short stacking energy: -149.671
Base-Backbone interact. energy: 0.075
local terms energy: -165.273878
where:
bonds (distance) C4'-P energy: -22.825
bonds (distance) P-C4' energy: -31.539
flat angles C4'-P-C4' energy: -38.179
flat angles P-C4'-P energy: -24.835
tors. eta vs tors. theta energy: -47.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -451.914363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.914363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.914363 (E_RNA)
where:
Base-Base interactions energy: -289.351
where: short stacking energy: -140.405
Base-Backbone interact. energy: -0.721
local terms energy: -161.842725
where:
bonds (distance) C4'-P energy: -38.700
bonds (distance) P-C4' energy: -33.262
flat angles C4'-P-C4' energy: -36.620
flat angles P-C4'-P energy: -17.129
tors. eta vs tors. theta energy: -36.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -442.930779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.930779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.930779 (E_RNA)
where:
Base-Base interactions energy: -280.356
where: short stacking energy: -138.559
Base-Backbone interact. energy: -0.491
local terms energy: -162.084393
where:
bonds (distance) C4'-P energy: -35.701
bonds (distance) P-C4' energy: -31.864
flat angles C4'-P-C4' energy: -35.134
flat angles P-C4'-P energy: -22.408
tors. eta vs tors. theta energy: -36.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -354.604915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.604915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.604915 (E_RNA)
where:
Base-Base interactions energy: -224.121
where: short stacking energy: -119.730
Base-Backbone interact. energy: 0.158
local terms energy: -130.641596
where:
bonds (distance) C4'-P energy: -17.236
bonds (distance) P-C4' energy: -21.805
flat angles C4'-P-C4' energy: -34.820
flat angles P-C4'-P energy: -22.422
tors. eta vs tors. theta energy: -34.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -334.731030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.731030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.731030 (E_RNA)
where:
Base-Base interactions energy: -212.436
where: short stacking energy: -95.908
Base-Backbone interact. energy: -0.590
local terms energy: -121.704868
where:
bonds (distance) C4'-P energy: -27.489
bonds (distance) P-C4' energy: -32.271
flat angles C4'-P-C4' energy: -25.576
flat angles P-C4'-P energy: -19.947
tors. eta vs tors. theta energy: -16.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -234.393619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.393619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.393619 (E_RNA)
where:
Base-Base interactions energy: -138.249
where: short stacking energy: -74.530
Base-Backbone interact. energy: -0.775
local terms energy: -95.370388
where:
bonds (distance) C4'-P energy: -22.430
bonds (distance) P-C4' energy: -29.422
flat angles C4'-P-C4' energy: -16.899
flat angles P-C4'-P energy: -15.282
tors. eta vs tors. theta energy: -11.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -162.869127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.869127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.869127 (E_RNA)
where:
Base-Base interactions energy: -61.407
where: short stacking energy: -53.318
Base-Backbone interact. energy: -0.636
local terms energy: -100.825894
where:
bonds (distance) C4'-P energy: -22.227
bonds (distance) P-C4' energy: -27.122
flat angles C4'-P-C4' energy: -30.592
flat angles P-C4'-P energy: -16.919
tors. eta vs tors. theta energy: -3.966
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: 9
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -152.166718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.166718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.166718 (E_RNA)
where:
Base-Base interactions energy: -64.194
where: short stacking energy: -50.044
Base-Backbone interact. energy: -0.264
local terms energy: -87.709011
where:
bonds (distance) C4'-P energy: -17.080
bonds (distance) P-C4' energy: -30.501
flat angles C4'-P-C4' energy: -25.281
flat angles P-C4'-P energy: -15.237
tors. eta vs tors. theta energy: 0.391
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: 6
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -548.526880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.526880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.526880 (E_RNA)
where:
Base-Base interactions energy: -382.004
where: short stacking energy: -180.601
Base-Backbone interact. energy: -0.279
local terms energy: -166.244059
where:
bonds (distance) C4'-P energy: -21.954
bonds (distance) P-C4' energy: -29.756
flat angles C4'-P-C4' energy: -34.752
flat angles P-C4'-P energy: -30.111
tors. eta vs tors. theta energy: -49.671
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: 2, replica: 10
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -520.667894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.667894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.667894 (E_RNA)
where:
Base-Base interactions energy: -350.803
where: short stacking energy: -158.333
Base-Backbone interact. energy: 0.569
local terms energy: -170.433366
where:
bonds (distance) C4'-P energy: -36.130
bonds (distance) P-C4' energy: -32.248
flat angles C4'-P-C4' energy: -34.529
flat angles P-C4'-P energy: -24.661
tors. eta vs tors. theta energy: -42.866
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: 2
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -512.502884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.502884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.502884 (E_RNA)
where:
Base-Base interactions energy: -342.641
where: short stacking energy: -143.241
Base-Backbone interact. energy: -0.359
local terms energy: -169.502670
where:
bonds (distance) C4'-P energy: -33.534
bonds (distance) P-C4' energy: -33.155
flat angles C4'-P-C4' energy: -32.278
flat angles P-C4'-P energy: -26.249
tors. eta vs tors. theta energy: -44.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -448.736523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.736523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.736523 (E_RNA)
where:
Base-Base interactions energy: -298.405
where: short stacking energy: -146.174
Base-Backbone interact. energy: -0.026
local terms energy: -150.305187
where:
bonds (distance) C4'-P energy: -24.682
bonds (distance) P-C4' energy: -28.961
flat angles C4'-P-C4' energy: -32.314
flat angles P-C4'-P energy: -21.156
tors. eta vs tors. theta energy: -43.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -419.987747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.987747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.987747 (E_RNA)
where:
Base-Base interactions energy: -275.509
where: short stacking energy: -140.519
Base-Backbone interact. energy: -1.018
local terms energy: -143.460922
where:
bonds (distance) C4'-P energy: -24.050
bonds (distance) P-C4' energy: -31.328
flat angles C4'-P-C4' energy: -32.364
flat angles P-C4'-P energy: -20.657
tors. eta vs tors. theta energy: -35.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -371.866723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.866723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.866723 (E_RNA)
where:
Base-Base interactions energy: -222.757
where: short stacking energy: -108.958
Base-Backbone interact. energy: 0.461
local terms energy: -149.570726
where:
bonds (distance) C4'-P energy: -34.984
bonds (distance) P-C4' energy: -35.393
flat angles C4'-P-C4' energy: -26.424
flat angles P-C4'-P energy: -24.537
tors. eta vs tors. theta energy: -28.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -267.381519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.381519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.381519 (E_RNA)
where:
Base-Base interactions energy: -151.238
where: short stacking energy: -91.341
Base-Backbone interact. energy: -0.206
local terms energy: -115.937662
where:
bonds (distance) C4'-P energy: -29.211
bonds (distance) P-C4' energy: -28.108
flat angles C4'-P-C4' energy: -26.648
flat angles P-C4'-P energy: -18.746
tors. eta vs tors. theta energy: -13.224
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: 8, replica: 5
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -307.703689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.703689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.703689 (E_RNA)
where:
Base-Base interactions energy: -192.293
where: short stacking energy: -79.635
Base-Backbone interact. energy: -0.158
local terms energy: -115.252348
where:
bonds (distance) C4'-P energy: -27.260
bonds (distance) P-C4' energy: -31.610
flat angles C4'-P-C4' energy: -24.668
flat angles P-C4'-P energy: -21.621
tors. eta vs tors. theta energy: -10.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -161.646306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.646306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.646306 (E_RNA)
where:
Base-Base interactions energy: -59.352
where: short stacking energy: -55.799
Base-Backbone interact. energy: -0.410
local terms energy: -101.884299
where:
bonds (distance) C4'-P energy: -29.636
bonds (distance) P-C4' energy: -21.363
flat angles C4'-P-C4' energy: -28.507
flat angles P-C4'-P energy: -16.700
tors. eta vs tors. theta energy: -5.678
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: 4
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -179.763015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.763015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.763015 (E_RNA)
where:
Base-Base interactions energy: -81.761
where: short stacking energy: -55.519
Base-Backbone interact. energy: 2.618
local terms energy: -100.619397
where:
bonds (distance) C4'-P energy: -20.762
bonds (distance) P-C4' energy: -33.654
flat angles C4'-P-C4' energy: -25.925
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -7.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -560.788612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.788612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.788612 (E_RNA)
where:
Base-Base interactions energy: -387.709
where: short stacking energy: -169.656
Base-Backbone interact. energy: -0.166
local terms energy: -172.913846
where:
bonds (distance) C4'-P energy: -27.441
bonds (distance) P-C4' energy: -33.360
flat angles C4'-P-C4' energy: -35.854
flat angles P-C4'-P energy: -25.650
tors. eta vs tors. theta energy: -50.608
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: 2, replica: 2
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -519.431618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.431618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.431618 (E_RNA)
where:
Base-Base interactions energy: -353.665
where: short stacking energy: -158.802
Base-Backbone interact. energy: -0.122
local terms energy: -165.644508
where:
bonds (distance) C4'-P energy: -31.030
bonds (distance) P-C4' energy: -37.805
flat angles C4'-P-C4' energy: -30.339
flat angles P-C4'-P energy: -19.574
tors. eta vs tors. theta energy: -46.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -507.769695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.769695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.769695 (E_RNA)
where:
Base-Base interactions energy: -341.877
where: short stacking energy: -155.596
Base-Backbone interact. energy: -1.247
local terms energy: -164.646283
where:
bonds (distance) C4'-P energy: -27.597
bonds (distance) P-C4' energy: -30.223
flat angles C4'-P-C4' energy: -34.649
flat angles P-C4'-P energy: -24.765
tors. eta vs tors. theta energy: -47.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -435.909737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.909737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.909737 (E_RNA)
where:
Base-Base interactions energy: -267.031
where: short stacking energy: -129.892
Base-Backbone interact. energy: -0.952
local terms energy: -167.926060
where:
bonds (distance) C4'-P energy: -35.086
bonds (distance) P-C4' energy: -34.946
flat angles C4'-P-C4' energy: -35.792
flat angles P-C4'-P energy: -19.227
tors. eta vs tors. theta energy: -42.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -440.189173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.189173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.189173 (E_RNA)
where:
Base-Base interactions energy: -282.847
where: short stacking energy: -138.485
Base-Backbone interact. energy: -0.773
local terms energy: -156.568726
where:
bonds (distance) C4'-P energy: -29.875
bonds (distance) P-C4' energy: -34.261
flat angles C4'-P-C4' energy: -31.809
flat angles P-C4'-P energy: -29.533
tors. eta vs tors. theta energy: -31.090
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: 269
Temperature: 1.150000
Total energy: -376.702867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.702867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.702867 (E_RNA)
where:
Base-Base interactions energy: -246.346
where: short stacking energy: -130.821
Base-Backbone interact. energy: 1.371
local terms energy: -131.728050
where:
bonds (distance) C4'-P energy: -26.588
bonds (distance) P-C4' energy: -21.326
flat angles C4'-P-C4' energy: -33.078
flat angles P-C4'-P energy: -17.483
tors. eta vs tors. theta energy: -33.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -267.528671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.528671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.528671 (E_RNA)
where:
Base-Base interactions energy: -158.966
where: short stacking energy: -96.860
Base-Backbone interact. energy: 1.818
local terms energy: -110.380743
where:
bonds (distance) C4'-P energy: -20.363
bonds (distance) P-C4' energy: -30.934
flat angles C4'-P-C4' energy: -34.168
flat angles P-C4'-P energy: -13.830
tors. eta vs tors. theta energy: -11.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -302.886175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.886175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.886175 (E_RNA)
where:
Base-Base interactions energy: -193.125
where: short stacking energy: -93.786
Base-Backbone interact. energy: 0.761
local terms energy: -110.522126
where:
bonds (distance) C4'-P energy: -25.398
bonds (distance) P-C4' energy: -29.902
flat angles C4'-P-C4' energy: -22.813
flat angles P-C4'-P energy: -14.181
tors. eta vs tors. theta energy: -18.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -174.391796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.391796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.391796 (E_RNA)
where:
Base-Base interactions energy: -75.208
where: short stacking energy: -55.044
Base-Backbone interact. energy: -0.542
local terms energy: -98.642070
where:
bonds (distance) C4'-P energy: -22.612
bonds (distance) P-C4' energy: -29.467
flat angles C4'-P-C4' energy: -26.196
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: -10.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -163.685299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.685299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.685299 (E_RNA)
where:
Base-Base interactions energy: -61.633
where: short stacking energy: -58.948
Base-Backbone interact. energy: -0.438
local terms energy: -101.614955
where:
bonds (distance) C4'-P energy: -25.821
bonds (distance) P-C4' energy: -34.371
flat angles C4'-P-C4' energy: -25.745
flat angles P-C4'-P energy: -15.360
tors. eta vs tors. theta energy: -0.317
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: 6
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -533.257335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.257335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.257335 (E_RNA)
where:
Base-Base interactions energy: -358.558
where: short stacking energy: -159.411
Base-Backbone interact. energy: -0.157
local terms energy: -174.541892
where:
bonds (distance) C4'-P energy: -35.781
bonds (distance) P-C4' energy: -33.995
flat angles C4'-P-C4' energy: -35.526
flat angles P-C4'-P energy: -23.408
tors. eta vs tors. theta energy: -45.833
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: 2, replica: 2
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -530.086827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.086827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.086827 (E_RNA)
where:
Base-Base interactions energy: -361.739
where: short stacking energy: -160.456
Base-Backbone interact. energy: -0.663
local terms energy: -167.684071
where:
bonds (distance) C4'-P energy: -32.363
bonds (distance) P-C4' energy: -31.402
flat angles C4'-P-C4' energy: -37.293
flat angles P-C4'-P energy: -22.720
tors. eta vs tors. theta energy: -43.906
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: 10
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -499.052264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.052264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.052264 (E_RNA)
where:
Base-Base interactions energy: -331.887
where: short stacking energy: -148.730
Base-Backbone interact. energy: -0.874
local terms energy: -166.290944
where:
bonds (distance) C4'-P energy: -25.586
bonds (distance) P-C4' energy: -30.645
flat angles C4'-P-C4' energy: -34.689
flat angles P-C4'-P energy: -28.990
tors. eta vs tors. theta energy: -46.380
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: 1
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -439.828024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.828024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.828024 (E_RNA)
where:
Base-Base interactions energy: -274.509
where: short stacking energy: -141.691
Base-Backbone interact. energy: 0.706
local terms energy: -166.025438
where:
bonds (distance) C4'-P energy: -35.338
bonds (distance) P-C4' energy: -36.632
flat angles C4'-P-C4' energy: -33.601
flat angles P-C4'-P energy: -15.580
tors. eta vs tors. theta energy: -44.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -434.196495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.196495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.196495 (E_RNA)
where:
Base-Base interactions energy: -277.684
where: short stacking energy: -128.202
Base-Backbone interact. energy: -0.014
local terms energy: -156.499059
where:
bonds (distance) C4'-P energy: -29.797
bonds (distance) P-C4' energy: -33.821
flat angles C4'-P-C4' energy: -35.960
flat angles P-C4'-P energy: -26.291
tors. eta vs tors. theta energy: -30.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -389.080753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.080753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.080753 (E_RNA)
where:
Base-Base interactions energy: -255.906
where: short stacking energy: -117.629
Base-Backbone interact. energy: -0.397
local terms energy: -132.777379
where:
bonds (distance) C4'-P energy: -29.629
bonds (distance) P-C4' energy: -30.121
flat angles C4'-P-C4' energy: -29.089
flat angles P-C4'-P energy: -18.214
tors. eta vs tors. theta energy: -25.725
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: 5
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -321.034171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.034171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.034171 (E_RNA)
where:
Base-Base interactions energy: -185.713
where: short stacking energy: -85.983
Base-Backbone interact. energy: -0.525
local terms energy: -134.796097
where:
bonds (distance) C4'-P energy: -32.033
bonds (distance) P-C4' energy: -29.529
flat angles C4'-P-C4' energy: -34.336
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -27.288
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: 8, replica: 8
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -251.665433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.665433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.665433 (E_RNA)
where:
Base-Base interactions energy: -135.893
where: short stacking energy: -77.908
Base-Backbone interact. energy: -1.203
local terms energy: -114.570010
where:
bonds (distance) C4'-P energy: -26.462
bonds (distance) P-C4' energy: -29.809
flat angles C4'-P-C4' energy: -24.636
flat angles P-C4'-P energy: -17.188
tors. eta vs tors. theta energy: -16.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -154.612792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.612792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.612792 (E_RNA)
where:
Base-Base interactions energy: -47.049
where: short stacking energy: -45.449
Base-Backbone interact. energy: 0.118
local terms energy: -107.681697
where:
bonds (distance) C4'-P energy: -24.622
bonds (distance) P-C4' energy: -32.696
flat angles C4'-P-C4' energy: -25.695
flat angles P-C4'-P energy: -21.125
tors. eta vs tors. theta energy: -3.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -143.414725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.414725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.414725 (E_RNA)
where:
Base-Base interactions energy: -49.844
where: short stacking energy: -39.797
Base-Backbone interact. energy: -0.996
local terms energy: -92.574797
where:
bonds (distance) C4'-P energy: -24.154
bonds (distance) P-C4' energy: -36.776
flat angles C4'-P-C4' energy: -20.220
flat angles P-C4'-P energy: -10.349
tors. eta vs tors. theta energy: -1.075
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: 6
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -545.152067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.152067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.152067 (E_RNA)
where:
Base-Base interactions energy: -374.076
where: short stacking energy: -162.517
Base-Backbone interact. energy: -0.092
local terms energy: -170.983979
where:
bonds (distance) C4'-P energy: -33.832
bonds (distance) P-C4' energy: -35.492
flat angles C4'-P-C4' energy: -31.918
flat angles P-C4'-P energy: -25.316
tors. eta vs tors. theta energy: -44.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -538.937975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.937975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.937975 (E_RNA)
where:
Base-Base interactions energy: -375.348
where: short stacking energy: -163.230
Base-Backbone interact. energy: -0.137
local terms energy: -163.453233
where:
bonds (distance) C4'-P energy: -32.462
bonds (distance) P-C4' energy: -26.289
flat angles C4'-P-C4' energy: -34.474
flat angles P-C4'-P energy: -21.996
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: 3, replica: 10
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -507.170150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.170150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.170150 (E_RNA)
where:
Base-Base interactions energy: -348.409
where: short stacking energy: -160.352
Base-Backbone interact. energy: -0.105
local terms energy: -158.655661
where:
bonds (distance) C4'-P energy: -26.453
bonds (distance) P-C4' energy: -37.890
flat angles C4'-P-C4' energy: -35.536
flat angles P-C4'-P energy: -14.628
tors. eta vs tors. theta energy: -44.149
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: 4, replica: 1
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -462.275237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.275237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.275237 (E_RNA)
where:
Base-Base interactions energy: -301.281
where: short stacking energy: -140.805
Base-Backbone interact. energy: -2.686
local terms energy: -158.308106
where:
bonds (distance) C4'-P energy: -28.355
bonds (distance) P-C4' energy: -28.284
flat angles C4'-P-C4' energy: -35.494
flat angles P-C4'-P energy: -25.445
tors. eta vs tors. theta energy: -40.730
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: 5, replica: 7
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -433.514320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.514320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.514320 (E_RNA)
where:
Base-Base interactions energy: -292.971
where: short stacking energy: -125.117
Base-Backbone interact. energy: -1.385
local terms energy: -139.158456
where:
bonds (distance) C4'-P energy: -23.903
bonds (distance) P-C4' energy: -33.921
flat angles C4'-P-C4' energy: -22.834
flat angles P-C4'-P energy: -24.652
tors. eta vs tors. theta energy: -33.847
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: 271
Temperature: 1.150000
Total energy: -385.211622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.211622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.211622 (E_RNA)
where:
Base-Base interactions energy: -245.760
where: short stacking energy: -125.065
Base-Backbone interact. energy: -0.561
local terms energy: -138.891067
where:
bonds (distance) C4'-P energy: -25.417
bonds (distance) P-C4' energy: -33.605
flat angles C4'-P-C4' energy: -30.172
flat angles P-C4'-P energy: -22.682
tors. eta vs tors. theta energy: -27.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -332.670215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.670215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.670215 (E_RNA)
where:
Base-Base interactions energy: -205.717
where: short stacking energy: -87.470
Base-Backbone interact. energy: -0.282
local terms energy: -126.671246
where:
bonds (distance) C4'-P energy: -29.254
bonds (distance) P-C4' energy: -35.253
flat angles C4'-P-C4' energy: -26.459
flat angles P-C4'-P energy: -17.840
tors. eta vs tors. theta energy: -17.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -246.682225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.682225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.682225 (E_RNA)
where:
Base-Base interactions energy: -133.469
where: short stacking energy: -69.328
Base-Backbone interact. energy: -1.083
local terms energy: -112.129348
where:
bonds (distance) C4'-P energy: -20.058
bonds (distance) P-C4' energy: -30.784
flat angles C4'-P-C4' energy: -27.722
flat angles P-C4'-P energy: -19.778
tors. eta vs tors. theta energy: -13.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -155.661347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.661347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.661347 (E_RNA)
where:
Base-Base interactions energy: -46.989
where: short stacking energy: -44.371
Base-Backbone interact. energy: 0.688
local terms energy: -109.359725
where:
bonds (distance) C4'-P energy: -31.999
bonds (distance) P-C4' energy: -27.447
flat angles C4'-P-C4' energy: -28.175
flat angles P-C4'-P energy: -16.762
tors. eta vs tors. theta energy: -4.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -170.181299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.181299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.181299 (E_RNA)
where:
Base-Base interactions energy: -74.677
where: short stacking energy: -56.526
Base-Backbone interact. energy: -0.831
local terms energy: -94.673378
where:
bonds (distance) C4'-P energy: -29.013
bonds (distance) P-C4' energy: -26.075
flat angles C4'-P-C4' energy: -18.726
flat angles P-C4'-P energy: -17.082
tors. eta vs tors. theta energy: -3.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -561.005056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.005056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.005056 (E_RNA)
where:
Base-Base interactions energy: -389.441
where: short stacking energy: -176.105
Base-Backbone interact. energy: -0.045
local terms energy: -171.519246
where:
bonds (distance) C4'-P energy: -27.577
bonds (distance) P-C4' energy: -35.241
flat angles C4'-P-C4' energy: -33.364
flat angles P-C4'-P energy: -27.221
tors. eta vs tors. theta energy: -48.117
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: 2
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -532.197415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.197415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.197415 (E_RNA)
where:
Base-Base interactions energy: -367.744
where: short stacking energy: -155.749
Base-Backbone interact. energy: -0.875
local terms energy: -163.577868
where:
bonds (distance) C4'-P energy: -29.506
bonds (distance) P-C4' energy: -31.604
flat angles C4'-P-C4' energy: -32.298
flat angles P-C4'-P energy: -24.074
tors. eta vs tors. theta energy: -46.096
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: 3, replica: 10
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -505.364488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.364488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.364488 (E_RNA)
where:
Base-Base interactions energy: -335.840
where: short stacking energy: -156.343
Base-Backbone interact. energy: -2.246
local terms energy: -167.278885
where:
bonds (distance) C4'-P energy: -33.675
bonds (distance) P-C4' energy: -36.633
flat angles C4'-P-C4' energy: -35.717
flat angles P-C4'-P energy: -17.171
tors. eta vs tors. theta energy: -44.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -475.628228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.628228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.628228 (E_RNA)
where:
Base-Base interactions energy: -310.521
where: short stacking energy: -147.165
Base-Backbone interact. energy: -2.110
local terms energy: -162.997570
where:
bonds (distance) C4'-P energy: -32.540
bonds (distance) P-C4' energy: -33.457
flat angles C4'-P-C4' energy: -32.583
flat angles P-C4'-P energy: -24.457
tors. eta vs tors. theta energy: -39.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -431.333379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.333379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.333379 (E_RNA)
where:
Base-Base interactions energy: -286.607
where: short stacking energy: -116.258
Base-Backbone interact. energy: 1.343
local terms energy: -146.068814
where:
bonds (distance) C4'-P energy: -29.728
bonds (distance) P-C4' energy: -28.374
flat angles C4'-P-C4' energy: -33.251
flat angles P-C4'-P energy: -20.408
tors. eta vs tors. theta energy: -34.308
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: 3
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -414.840920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.840920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.840920 (E_RNA)
where:
Base-Base interactions energy: -286.499
where: short stacking energy: -125.415
Base-Backbone interact. energy: -0.632
local terms energy: -127.710244
where:
bonds (distance) C4'-P energy: -23.577
bonds (distance) P-C4' energy: -22.505
flat angles C4'-P-C4' energy: -28.919
flat angles P-C4'-P energy: -20.407
tors. eta vs tors. theta energy: -32.303
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: 8
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -252.207914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.207914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.207914 (E_RNA)
where:
Base-Base interactions energy: -129.037
where: short stacking energy: -90.922
Base-Backbone interact. energy: -1.453
local terms energy: -121.717777
where:
bonds (distance) C4'-P energy: -27.318
bonds (distance) P-C4' energy: -26.506
flat angles C4'-P-C4' energy: -30.713
flat angles P-C4'-P energy: -20.946
tors. eta vs tors. theta energy: -16.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -339.949884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.949884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.949884 (E_RNA)
where:
Base-Base interactions energy: -213.767
where: short stacking energy: -98.150
Base-Backbone interact. energy: -0.277
local terms energy: -125.906221
where:
bonds (distance) C4'-P energy: -29.011
bonds (distance) P-C4' energy: -28.619
flat angles C4'-P-C4' energy: -28.325
flat angles P-C4'-P energy: -18.314
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: 9, replica: 9
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -190.316974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.316974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.316974 (E_RNA)
where:
Base-Base interactions energy: -90.461
where: short stacking energy: -58.917
Base-Backbone interact. energy: -0.585
local terms energy: -99.271367
where:
bonds (distance) C4'-P energy: -26.526
bonds (distance) P-C4' energy: -28.215
flat angles C4'-P-C4' energy: -28.939
flat angles P-C4'-P energy: -9.698
tors. eta vs tors. theta energy: -5.892
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: 4
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -154.405904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.405904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.405904 (E_RNA)
where:
Base-Base interactions energy: -49.755
where: short stacking energy: -47.283
Base-Backbone interact. energy: -0.191
local terms energy: -104.460204
where:
bonds (distance) C4'-P energy: -21.455
bonds (distance) P-C4' energy: -28.046
flat angles C4'-P-C4' energy: -28.234
flat angles P-C4'-P energy: -20.213
tors. eta vs tors. theta energy: -6.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -564.425513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.425513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.425513 (E_RNA)
where:
Base-Base interactions energy: -390.521
where: short stacking energy: -167.980
Base-Backbone interact. energy: -0.219
local terms energy: -173.685532
where:
bonds (distance) C4'-P energy: -34.729
bonds (distance) P-C4' energy: -33.551
flat angles C4'-P-C4' energy: -35.040
flat angles P-C4'-P energy: -23.895
tors. eta vs tors. theta energy: -46.470
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: 10
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -505.521610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.521610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.521610 (E_RNA)
where:
Base-Base interactions energy: -334.606
where: short stacking energy: -158.363
Base-Backbone interact. energy: 0.137
local terms energy: -171.053026
where:
bonds (distance) C4'-P energy: -31.823
bonds (distance) P-C4' energy: -32.216
flat angles C4'-P-C4' energy: -37.612
flat angles P-C4'-P energy: -21.550
tors. eta vs tors. theta energy: -47.851
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: 3, replica: 2
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -512.786518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.786518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.786518 (E_RNA)
where:
Base-Base interactions energy: -357.583
where: short stacking energy: -144.821
Base-Backbone interact. energy: -0.259
local terms energy: -154.943966
where:
bonds (distance) C4'-P energy: -29.969
bonds (distance) P-C4' energy: -29.773
flat angles C4'-P-C4' energy: -23.344
flat angles P-C4'-P energy: -26.694
tors. eta vs tors. theta energy: -45.164
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: 273
Temperature: 1.050000
Total energy: -445.356313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.356313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.356313 (E_RNA)
where:
Base-Base interactions energy: -294.418
where: short stacking energy: -127.932
Base-Backbone interact. energy: -1.387
local terms energy: -149.550814
where:
bonds (distance) C4'-P energy: -29.649
bonds (distance) P-C4' energy: -31.613
flat angles C4'-P-C4' energy: -28.361
flat angles P-C4'-P energy: -21.969
tors. eta vs tors. theta energy: -37.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -446.315758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.315758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.315758 (E_RNA)
where:
Base-Base interactions energy: -287.534
where: short stacking energy: -128.529
Base-Backbone interact. energy: -1.787
local terms energy: -156.993990
where:
bonds (distance) C4'-P energy: -34.048
bonds (distance) P-C4' energy: -34.644
flat angles C4'-P-C4' energy: -33.634
flat angles P-C4'-P energy: -21.547
tors. eta vs tors. theta energy: -33.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -441.484903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.484903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.484903 (E_RNA)
where:
Base-Base interactions energy: -297.793
where: short stacking energy: -125.828
Base-Backbone interact. energy: -0.389
local terms energy: -143.302607
where:
bonds (distance) C4'-P energy: -27.488
bonds (distance) P-C4' energy: -28.080
flat angles C4'-P-C4' energy: -32.450
flat angles P-C4'-P energy: -20.764
tors. eta vs tors. theta energy: -34.521
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: 8
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -254.195542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.195542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.195542 (E_RNA)
where:
Base-Base interactions energy: -129.282
where: short stacking energy: -63.938
Base-Backbone interact. energy: -0.456
local terms energy: -124.457370
where:
bonds (distance) C4'-P energy: -30.481
bonds (distance) P-C4' energy: -32.560
flat angles C4'-P-C4' energy: -31.078
flat angles P-C4'-P energy: -21.146
tors. eta vs tors. theta energy: -9.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -362.585749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.585749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.585749 (E_RNA)
where:
Base-Base interactions energy: -223.413
where: short stacking energy: -102.576
Base-Backbone interact. energy: -0.317
local terms energy: -138.856257
where:
bonds (distance) C4'-P energy: -28.257
bonds (distance) P-C4' energy: -36.519
flat angles C4'-P-C4' energy: -26.482
flat angles P-C4'-P energy: -18.774
tors. eta vs tors. theta energy: -28.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -205.342893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.342893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.342893 (E_RNA)
where:
Base-Base interactions energy: -101.660
where: short stacking energy: -66.030
Base-Backbone interact. energy: 0.828
local terms energy: -104.511106
where:
bonds (distance) C4'-P energy: -27.081
bonds (distance) P-C4' energy: -34.698
flat angles C4'-P-C4' energy: -23.705
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -8.771
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: 4
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -161.240491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.240491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.240491 (E_RNA)
where:
Base-Base interactions energy: -74.535
where: short stacking energy: -52.420
Base-Backbone interact. energy: 0.120
local terms energy: -86.825803
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -28.404
flat angles C4'-P-C4' energy: -26.881
flat angles P-C4'-P energy: -14.652
tors. eta vs tors. theta energy: -4.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -558.547515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.547515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.547515 (E_RNA)
where:
Base-Base interactions energy: -383.539
where: short stacking energy: -176.191
Base-Backbone interact. energy: -0.101
local terms energy: -174.907987
where:
bonds (distance) C4'-P energy: -30.508
bonds (distance) P-C4' energy: -33.982
flat angles C4'-P-C4' energy: -36.153
flat angles P-C4'-P energy: -31.080
tors. eta vs tors. theta energy: -43.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -513.072249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.072249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.072249 (E_RNA)
where:
Base-Base interactions energy: -345.043
where: short stacking energy: -149.410
Base-Backbone interact. energy: -0.753
local terms energy: -167.275522
where:
bonds (distance) C4'-P energy: -34.903
bonds (distance) P-C4' energy: -28.577
flat angles C4'-P-C4' energy: -36.066
flat angles P-C4'-P energy: -23.533
tors. eta vs tors. theta energy: -44.196
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: 2
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -502.661256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.661256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.661256 (E_RNA)
where:
Base-Base interactions energy: -346.250
where: short stacking energy: -157.215
Base-Backbone interact. energy: -0.360
local terms energy: -156.051401
where:
bonds (distance) C4'-P energy: -30.055
bonds (distance) P-C4' energy: -25.280
flat angles C4'-P-C4' energy: -31.822
flat angles P-C4'-P energy: -19.577
tors. eta vs tors. theta energy: -49.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -438.803057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.803057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.803057 (E_RNA)
where:
Base-Base interactions energy: -285.321
where: short stacking energy: -137.406
Base-Backbone interact. energy: -0.437
local terms energy: -153.045690
where:
bonds (distance) C4'-P energy: -25.415
bonds (distance) P-C4' energy: -25.311
flat angles C4'-P-C4' energy: -34.376
flat angles P-C4'-P energy: -26.659
tors. eta vs tors. theta energy: -41.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -418.350854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.350854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.350854 (E_RNA)
where:
Base-Base interactions energy: -275.978
where: short stacking energy: -126.402
Base-Backbone interact. energy: -1.891
local terms energy: -140.481851
where:
bonds (distance) C4'-P energy: -31.077
bonds (distance) P-C4' energy: -28.169
flat angles C4'-P-C4' energy: -25.344
flat angles P-C4'-P energy: -24.426
tors. eta vs tors. theta energy: -31.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -419.059038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.059038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.059038 (E_RNA)
where:
Base-Base interactions energy: -289.042
where: short stacking energy: -129.896
Base-Backbone interact. energy: -1.599
local terms energy: -128.417786
where:
bonds (distance) C4'-P energy: -26.303
bonds (distance) P-C4' energy: -27.079
flat angles C4'-P-C4' energy: -23.355
flat angles P-C4'-P energy: -14.369
tors. eta vs tors. theta energy: -37.311
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: 274
Temperature: 1.200000
Total energy: -358.368561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.368561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.368561 (E_RNA)
where:
Base-Base interactions energy: -233.495
where: short stacking energy: -104.164
Base-Backbone interact. energy: 0.759
local terms energy: -125.631807
where:
bonds (distance) C4'-P energy: -20.194
bonds (distance) P-C4' energy: -24.026
flat angles C4'-P-C4' energy: -36.098
flat angles P-C4'-P energy: -19.975
tors. eta vs tors. theta energy: -25.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -260.183580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.183580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.183580 (E_RNA)
where:
Base-Base interactions energy: -145.485
where: short stacking energy: -77.071
Base-Backbone interact. energy: -0.303
local terms energy: -114.396231
where:
bonds (distance) C4'-P energy: -30.084
bonds (distance) P-C4' energy: -27.367
flat angles C4'-P-C4' energy: -26.183
flat angles P-C4'-P energy: -13.725
tors. eta vs tors. theta energy: -17.037
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: 9, replica: 4
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -176.116274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.116274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.116274 (E_RNA)
where:
Base-Base interactions energy: -57.559
where: short stacking energy: -53.253
Base-Backbone interact. energy: -1.242
local terms energy: -117.315441
where:
bonds (distance) C4'-P energy: -32.713
bonds (distance) P-C4' energy: -34.584
flat angles C4'-P-C4' energy: -29.358
flat angles P-C4'-P energy: -22.283
tors. eta vs tors. theta energy: 1.623
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: 10, replica: 9
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -156.369456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.369456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.369456 (E_RNA)
where:
Base-Base interactions energy: -53.174
where: short stacking energy: -53.021
Base-Backbone interact. energy: -0.306
local terms energy: -102.889168
where:
bonds (distance) C4'-P energy: -28.845
bonds (distance) P-C4' energy: -31.679
flat angles C4'-P-C4' energy: -28.887
flat angles P-C4'-P energy: -12.080
tors. eta vs tors. theta energy: -1.399
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: 6
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -548.685704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.685704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.685704 (E_RNA)
where:
Base-Base interactions energy: -375.816
where: short stacking energy: -176.816
Base-Backbone interact. energy: 0.112
local terms energy: -172.981456
where:
bonds (distance) C4'-P energy: -29.008
bonds (distance) P-C4' energy: -32.275
flat angles C4'-P-C4' energy: -35.361
flat angles P-C4'-P energy: -24.253
tors. eta vs tors. theta energy: -52.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -518.961288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.961288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.961288 (E_RNA)
where:
Base-Base interactions energy: -345.216
where: short stacking energy: -158.245
Base-Backbone interact. energy: -0.364
local terms energy: -173.381602
where:
bonds (distance) C4'-P energy: -27.350
bonds (distance) P-C4' energy: -35.208
flat angles C4'-P-C4' energy: -36.714
flat angles P-C4'-P energy: -26.010
tors. eta vs tors. theta energy: -48.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -507.647326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.647326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.647326 (E_RNA)
where:
Base-Base interactions energy: -333.100
where: short stacking energy: -146.618
Base-Backbone interact. energy: -1.695
local terms energy: -172.852000
where:
bonds (distance) C4'-P energy: -36.706
bonds (distance) P-C4' energy: -32.490
flat angles C4'-P-C4' energy: -36.598
flat angles P-C4'-P energy: -26.985
tors. eta vs tors. theta energy: -40.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -434.339301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.339301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.339301 (E_RNA)
where:
Base-Base interactions energy: -290.544
where: short stacking energy: -136.571
Base-Backbone interact. energy: 1.403
local terms energy: -145.198324
where:
bonds (distance) C4'-P energy: -24.480
bonds (distance) P-C4' energy: -30.909
flat angles C4'-P-C4' energy: -32.391
flat angles P-C4'-P energy: -23.961
tors. eta vs tors. theta energy: -33.457
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: 7
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -427.401576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.401576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.401576 (E_RNA)
where:
Base-Base interactions energy: -276.577
where: short stacking energy: -124.714
Base-Backbone interact. energy: -2.399
local terms energy: -148.425559
where:
bonds (distance) C4'-P energy: -28.591
bonds (distance) P-C4' energy: -34.648
flat angles C4'-P-C4' energy: -27.953
flat angles P-C4'-P energy: -21.379
tors. eta vs tors. theta energy: -35.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -426.894885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.894885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.894885 (E_RNA)
where:
Base-Base interactions energy: -289.966
where: short stacking energy: -137.918
Base-Backbone interact. energy: -0.114
local terms energy: -136.815377
where:
bonds (distance) C4'-P energy: -28.946
bonds (distance) P-C4' energy: -20.190
flat angles C4'-P-C4' energy: -31.063
flat angles P-C4'-P energy: -21.877
tors. eta vs tors. theta energy: -34.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -343.277549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.277549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.277549 (E_RNA)
where:
Base-Base interactions energy: -220.564
where: short stacking energy: -97.805
Base-Backbone interact. energy: -0.888
local terms energy: -121.824791
where:
bonds (distance) C4'-P energy: -24.712
bonds (distance) P-C4' energy: -26.341
flat angles C4'-P-C4' energy: -29.161
flat angles P-C4'-P energy: -20.753
tors. eta vs tors. theta energy: -20.857
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: 8, replica: 8
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -239.148605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.148605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.148605 (E_RNA)
where:
Base-Base interactions energy: -150.197
where: short stacking energy: -80.961
Base-Backbone interact. energy: -0.678
local terms energy: -88.272796
where:
bonds (distance) C4'-P energy: -23.213
bonds (distance) P-C4' energy: -25.901
flat angles C4'-P-C4' energy: -21.090
flat angles P-C4'-P energy: -6.405
tors. eta vs tors. theta energy: -11.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -160.304909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.304909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.304909 (E_RNA)
where:
Base-Base interactions energy: -51.794
where: short stacking energy: -44.439
Base-Backbone interact. energy: 0.426
local terms energy: -108.936472
where:
bonds (distance) C4'-P energy: -28.201
bonds (distance) P-C4' energy: -29.206
flat angles C4'-P-C4' energy: -29.443
flat angles P-C4'-P energy: -20.497
tors. eta vs tors. theta energy: -1.590
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: 275
Temperature: 1.350000
Total energy: -149.803828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.803828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.803828 (E_RNA)
where:
Base-Base interactions energy: -45.857
where: short stacking energy: -43.187
Base-Backbone interact. energy: -0.325
local terms energy: -103.621172
where:
bonds (distance) C4'-P energy: -31.745
bonds (distance) P-C4' energy: -35.583
flat angles C4'-P-C4' energy: -28.000
flat angles P-C4'-P energy: -8.880
tors. eta vs tors. theta energy: 0.587
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: 6
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -555.297878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.297878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.297878 (E_RNA)
where:
Base-Base interactions energy: -379.164
where: short stacking energy: -169.083
Base-Backbone interact. energy: -0.241
local terms energy: -175.892547
where:
bonds (distance) C4'-P energy: -28.234
bonds (distance) P-C4' energy: -33.763
flat angles C4'-P-C4' energy: -38.650
flat angles P-C4'-P energy: -27.148
tors. eta vs tors. theta energy: -48.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -527.999654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.999654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.999654 (E_RNA)
where:
Base-Base interactions energy: -358.796
where: short stacking energy: -160.509
Base-Backbone interact. energy: -0.082
local terms energy: -169.120834
where:
bonds (distance) C4'-P energy: -32.916
bonds (distance) P-C4' energy: -26.633
flat angles C4'-P-C4' energy: -35.396
flat angles P-C4'-P energy: -27.655
tors. eta vs tors. theta energy: -46.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -509.570061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.570061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.570061 (E_RNA)
where:
Base-Base interactions energy: -339.973
where: short stacking energy: -151.500
Base-Backbone interact. energy: -2.022
local terms energy: -167.575088
where:
bonds (distance) C4'-P energy: -25.874
bonds (distance) P-C4' energy: -38.548
flat angles C4'-P-C4' energy: -31.548
flat angles P-C4'-P energy: -26.476
tors. eta vs tors. theta energy: -45.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -451.115902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.115902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.115902 (E_RNA)
where:
Base-Base interactions energy: -297.420
where: short stacking energy: -129.793
Base-Backbone interact. energy: -0.846
local terms energy: -152.850030
where:
bonds (distance) C4'-P energy: -28.602
bonds (distance) P-C4' energy: -27.405
flat angles C4'-P-C4' energy: -34.105
flat angles P-C4'-P energy: -20.714
tors. eta vs tors. theta energy: -42.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -434.205679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.205679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.205679 (E_RNA)
where:
Base-Base interactions energy: -298.415
where: short stacking energy: -138.325
Base-Backbone interact. energy: -0.613
local terms energy: -135.177611
where:
bonds (distance) C4'-P energy: -24.907
bonds (distance) P-C4' energy: -22.973
flat angles C4'-P-C4' energy: -26.563
flat angles P-C4'-P energy: -22.275
tors. eta vs tors. theta energy: -38.460
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: 7
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -415.962307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.962307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.962307 (E_RNA)
where:
Base-Base interactions energy: -267.751
where: short stacking energy: -127.270
Base-Backbone interact. energy: -0.067
local terms energy: -148.144639
where:
bonds (distance) C4'-P energy: -26.837
bonds (distance) P-C4' energy: -27.180
flat angles C4'-P-C4' energy: -32.983
flat angles P-C4'-P energy: -21.422
tors. eta vs tors. theta energy: -39.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -378.084976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.084976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.084976 (E_RNA)
where:
Base-Base interactions energy: -249.252
where: short stacking energy: -92.254
Base-Backbone interact. energy: -1.591
local terms energy: -127.242008
where:
bonds (distance) C4'-P energy: -20.632
bonds (distance) P-C4' energy: -32.802
flat angles C4'-P-C4' energy: -30.127
flat angles P-C4'-P energy: -23.406
tors. eta vs tors. theta energy: -20.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -245.267069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.267069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.267069 (E_RNA)
where:
Base-Base interactions energy: -134.048
where: short stacking energy: -81.714
Base-Backbone interact. energy: 0.060
local terms energy: -111.279045
where:
bonds (distance) C4'-P energy: -22.962
bonds (distance) P-C4' energy: -31.224
flat angles C4'-P-C4' energy: -31.577
flat angles P-C4'-P energy: -19.852
tors. eta vs tors. theta energy: -5.665
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: 4
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -157.443295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.443295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.443295 (E_RNA)
where:
Base-Base interactions energy: -58.555
where: short stacking energy: -52.467
Base-Backbone interact. energy: -0.354
local terms energy: -98.534905
where:
bonds (distance) C4'-P energy: -25.709
bonds (distance) P-C4' energy: -25.709
flat angles C4'-P-C4' energy: -26.406
flat angles P-C4'-P energy: -16.910
tors. eta vs tors. theta energy: -3.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -155.826998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.826998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.826998 (E_RNA)
where:
Base-Base interactions energy: -66.390
where: short stacking energy: -55.462
Base-Backbone interact. energy: 1.870
local terms energy: -91.306880
where:
bonds (distance) C4'-P energy: -20.490
bonds (distance) P-C4' energy: -30.333
flat angles C4'-P-C4' energy: -18.202
flat angles P-C4'-P energy: -16.952
tors. eta vs tors. theta energy: -5.330
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: 6
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -541.487694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.487694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.487694 (E_RNA)
where:
Base-Base interactions energy: -380.324
where: short stacking energy: -162.805
Base-Backbone interact. energy: -0.462
local terms energy: -160.702065
where:
bonds (distance) C4'-P energy: -29.932
bonds (distance) P-C4' energy: -27.130
flat angles C4'-P-C4' energy: -35.854
flat angles P-C4'-P energy: -22.495
tors. eta vs tors. theta energy: -45.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -507.646205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.646205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.646205 (E_RNA)
where:
Base-Base interactions energy: -340.023
where: short stacking energy: -154.535
Base-Backbone interact. energy: -0.211
local terms energy: -167.411602
where:
bonds (distance) C4'-P energy: -33.195
bonds (distance) P-C4' energy: -31.554
flat angles C4'-P-C4' energy: -32.435
flat angles P-C4'-P energy: -27.631
tors. eta vs tors. theta energy: -42.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -503.942132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.942132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.942132 (E_RNA)
where:
Base-Base interactions energy: -334.337
where: short stacking energy: -144.180
Base-Backbone interact. energy: -0.199
local terms energy: -169.406193
where:
bonds (distance) C4'-P energy: -30.032
bonds (distance) P-C4' energy: -36.793
flat angles C4'-P-C4' energy: -31.617
flat angles P-C4'-P energy: -21.743
tors. eta vs tors. theta energy: -49.221
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: 1
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -460.608746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.608746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.608746 (E_RNA)
where:
Base-Base interactions energy: -301.558
where: short stacking energy: -147.092
Base-Backbone interact. energy: -1.933
local terms energy: -157.117970
where:
bonds (distance) C4'-P energy: -27.111
bonds (distance) P-C4' energy: -30.296
flat angles C4'-P-C4' energy: -34.869
flat angles P-C4'-P energy: -26.369
tors. eta vs tors. theta energy: -38.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -436.898688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.898688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.898688 (E_RNA)
where:
Base-Base interactions energy: -290.751
where: short stacking energy: -129.314
Base-Backbone interact. energy: -0.995
local terms energy: -145.152673
where:
bonds (distance) C4'-P energy: -29.445
bonds (distance) P-C4' energy: -25.147
flat angles C4'-P-C4' energy: -27.229
flat angles P-C4'-P energy: -25.007
tors. eta vs tors. theta energy: -38.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -415.033957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.033957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.033957 (E_RNA)
where:
Base-Base interactions energy: -274.768
where: short stacking energy: -126.046
Base-Backbone interact. energy: -0.351
local terms energy: -139.914561
where:
bonds (distance) C4'-P energy: -22.791
bonds (distance) P-C4' energy: -32.658
flat angles C4'-P-C4' energy: -30.026
flat angles P-C4'-P energy: -24.507
tors. eta vs tors. theta energy: -29.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -323.005844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.005844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.005844 (E_RNA)
where:
Base-Base interactions energy: -208.180
where: short stacking energy: -99.742
Base-Backbone interact. energy: 1.046
local terms energy: -115.871292
where:
bonds (distance) C4'-P energy: -24.851
bonds (distance) P-C4' energy: -34.988
flat angles C4'-P-C4' energy: -26.511
flat angles P-C4'-P energy: -13.407
tors. eta vs tors. theta energy: -16.114
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: 8
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -238.658299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.658299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.658299 (E_RNA)
where:
Base-Base interactions energy: -125.846
where: short stacking energy: -66.373
Base-Backbone interact. energy: -0.411
local terms energy: -112.401448
where:
bonds (distance) C4'-P energy: -31.683
bonds (distance) P-C4' energy: -30.001
flat angles C4'-P-C4' energy: -28.323
flat angles P-C4'-P energy: -15.421
tors. eta vs tors. theta energy: -6.972
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: 4
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -198.583675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.583675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.583675 (E_RNA)
where:
Base-Base interactions energy: -92.296
where: short stacking energy: -56.877
Base-Backbone interact. energy: 1.214
local terms energy: -107.501125
where:
bonds (distance) C4'-P energy: -30.229
bonds (distance) P-C4' energy: -28.350
flat angles C4'-P-C4' energy: -25.721
flat angles P-C4'-P energy: -17.121
tors. eta vs tors. theta energy: -6.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -154.845827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.845827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.845827 (E_RNA)
where:
Base-Base interactions energy: -57.280
where: short stacking energy: -50.924
Base-Backbone interact. energy: -0.451
local terms energy: -97.114594
where:
bonds (distance) C4'-P energy: -25.358
bonds (distance) P-C4' energy: -30.520
flat angles C4'-P-C4' energy: -22.859
flat angles P-C4'-P energy: -14.014
tors. eta vs tors. theta energy: -4.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -520.842477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.842477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.842477 (E_RNA)
where:
Base-Base interactions energy: -356.552
where: short stacking energy: -146.993
Base-Backbone interact. energy: -1.153
local terms energy: -163.137018
where:
bonds (distance) C4'-P energy: -34.903
bonds (distance) P-C4' energy: -33.783
flat angles C4'-P-C4' energy: -29.601
flat angles P-C4'-P energy: -21.890
tors. eta vs tors. theta energy: -42.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -540.556904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.556904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.556904 (E_RNA)
where:
Base-Base interactions energy: -392.398
where: short stacking energy: -174.092
Base-Backbone interact. energy: 0.807
local terms energy: -148.965554
where:
bonds (distance) C4'-P energy: -17.459
bonds (distance) P-C4' energy: -31.271
flat angles C4'-P-C4' energy: -35.821
flat angles P-C4'-P energy: -19.290
tors. eta vs tors. theta energy: -45.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -499.445210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.445210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.445210 (E_RNA)
where:
Base-Base interactions energy: -339.773
where: short stacking energy: -149.165
Base-Backbone interact. energy: -0.676
local terms energy: -158.996120
where:
bonds (distance) C4'-P energy: -34.039
bonds (distance) P-C4' energy: -26.112
flat angles C4'-P-C4' energy: -31.457
flat angles P-C4'-P energy: -23.668
tors. eta vs tors. theta energy: -43.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -450.257607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.257607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.257607 (E_RNA)
where:
Base-Base interactions energy: -294.692
where: short stacking energy: -146.619
Base-Backbone interact. energy: -0.305
local terms energy: -155.260265
where:
bonds (distance) C4'-P energy: -27.265
bonds (distance) P-C4' energy: -30.204
flat angles C4'-P-C4' energy: -33.646
flat angles P-C4'-P energy: -21.474
tors. eta vs tors. theta energy: -42.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -429.293488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.293488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.293488 (E_RNA)
where:
Base-Base interactions energy: -274.378
where: short stacking energy: -133.549
Base-Backbone interact. energy: -0.523
local terms energy: -154.392549
where:
bonds (distance) C4'-P energy: -30.264
bonds (distance) P-C4' energy: -31.865
flat angles C4'-P-C4' energy: -35.182
flat angles P-C4'-P energy: -21.739
tors. eta vs tors. theta energy: -35.342
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: 6, replica: 3
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -403.527826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.527826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.527826 (E_RNA)
where:
Base-Base interactions energy: -257.722
where: short stacking energy: -115.272
Base-Backbone interact. energy: -2.950
local terms energy: -142.855906
where:
bonds (distance) C4'-P energy: -24.460
bonds (distance) P-C4' energy: -34.716
flat angles C4'-P-C4' energy: -30.218
flat angles P-C4'-P energy: -20.649
tors. eta vs tors. theta energy: -32.814
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: 8
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -257.672289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.672289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.672289 (E_RNA)
where:
Base-Base interactions energy: -141.114
where: short stacking energy: -74.791
Base-Backbone interact. energy: -0.362
local terms energy: -116.196389
where:
bonds (distance) C4'-P energy: -31.055
bonds (distance) P-C4' energy: -28.679
flat angles C4'-P-C4' energy: -25.908
flat angles P-C4'-P energy: -18.572
tors. eta vs tors. theta energy: -11.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -324.685830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.685830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.685830 (E_RNA)
where:
Base-Base interactions energy: -201.393
where: short stacking energy: -107.535
Base-Backbone interact. energy: -0.381
local terms energy: -122.911337
where:
bonds (distance) C4'-P energy: -29.363
bonds (distance) P-C4' energy: -19.160
flat angles C4'-P-C4' energy: -33.831
flat angles P-C4'-P energy: -13.356
tors. eta vs tors. theta energy: -27.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -154.067109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.067109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.067109 (E_RNA)
where:
Base-Base interactions energy: -67.628
where: short stacking energy: -54.654
Base-Backbone interact. energy: -0.893
local terms energy: -85.546033
where:
bonds (distance) C4'-P energy: -27.379
bonds (distance) P-C4' energy: -26.438
flat angles C4'-P-C4' energy: -22.757
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: 1.340
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: 10, replica: 9
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -134.991288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.991288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.991288 (E_RNA)
where:
Base-Base interactions energy: -39.579
where: short stacking energy: -38.879
Base-Backbone interact. energy: -0.233
local terms energy: -95.178773
where:
bonds (distance) C4'-P energy: -29.645
bonds (distance) P-C4' energy: -24.338
flat angles C4'-P-C4' energy: -23.604
flat angles P-C4'-P energy: -16.902
tors. eta vs tors. theta energy: -0.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -513.670861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.670861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.670861 (E_RNA)
where:
Base-Base interactions energy: -348.170
where: short stacking energy: -150.022
Base-Backbone interact. energy: -0.847
local terms energy: -164.653668
where:
bonds (distance) C4'-P energy: -32.493
bonds (distance) P-C4' energy: -27.590
flat angles C4'-P-C4' energy: -39.014
flat angles P-C4'-P energy: -23.646
tors. eta vs tors. theta energy: -41.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -535.051716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.051716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.051716 (E_RNA)
where:
Base-Base interactions energy: -372.690
where: short stacking energy: -172.207
Base-Backbone interact. energy: -0.016
local terms energy: -162.345761
where:
bonds (distance) C4'-P energy: -26.448
bonds (distance) P-C4' energy: -29.646
flat angles C4'-P-C4' energy: -35.420
flat angles P-C4'-P energy: -23.386
tors. eta vs tors. theta energy: -47.445
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: 2
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -510.160641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.160641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.160641 (E_RNA)
where:
Base-Base interactions energy: -350.858
where: short stacking energy: -150.629
Base-Backbone interact. energy: -1.365
local terms energy: -157.937608
where:
bonds (distance) C4'-P energy: -35.059
bonds (distance) P-C4' energy: -29.596
flat angles C4'-P-C4' energy: -33.204
flat angles P-C4'-P energy: -20.784
tors. eta vs tors. theta energy: -39.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -437.332568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.332568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.332568 (E_RNA)
where:
Base-Base interactions energy: -293.816
where: short stacking energy: -137.264
Base-Backbone interact. energy: -1.383
local terms energy: -142.134067
where:
bonds (distance) C4'-P energy: -21.892
bonds (distance) P-C4' energy: -33.709
flat angles C4'-P-C4' energy: -30.428
flat angles P-C4'-P energy: -18.160
tors. eta vs tors. theta energy: -37.946
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: 1
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -427.585189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.585189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.585189 (E_RNA)
where:
Base-Base interactions energy: -270.712
where: short stacking energy: -128.651
Base-Backbone interact. energy: -0.706
local terms energy: -156.166518
where:
bonds (distance) C4'-P energy: -28.796
bonds (distance) P-C4' energy: -35.922
flat angles C4'-P-C4' energy: -34.408
flat angles P-C4'-P energy: -21.998
tors. eta vs tors. theta energy: -35.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -413.257584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.257584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.257584 (E_RNA)
where:
Base-Base interactions energy: -275.168
where: short stacking energy: -120.444
Base-Backbone interact. energy: -1.004
local terms energy: -137.085608
where:
bonds (distance) C4'-P energy: -25.275
bonds (distance) P-C4' energy: -26.238
flat angles C4'-P-C4' energy: -33.985
flat angles P-C4'-P energy: -19.496
tors. eta vs tors. theta energy: -32.092
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: 8
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -252.737533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.737533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.737533 (E_RNA)
where:
Base-Base interactions energy: -137.440
where: short stacking energy: -80.636
Base-Backbone interact. energy: -0.386
local terms energy: -114.911896
where:
bonds (distance) C4'-P energy: -17.704
bonds (distance) P-C4' energy: -31.609
flat angles C4'-P-C4' energy: -32.164
flat angles P-C4'-P energy: -20.449
tors. eta vs tors. theta energy: -12.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -303.851326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.851326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.851326 (E_RNA)
where:
Base-Base interactions energy: -177.764
where: short stacking energy: -92.000
Base-Backbone interact. energy: -0.241
local terms energy: -125.847073
where:
bonds (distance) C4'-P energy: -30.918
bonds (distance) P-C4' energy: -33.104
flat angles C4'-P-C4' energy: -29.772
flat angles P-C4'-P energy: -16.834
tors. eta vs tors. theta energy: -15.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -167.337935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.337935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.337935 (E_RNA)
where:
Base-Base interactions energy: -66.843
where: short stacking energy: -58.762
Base-Backbone interact. energy: 0.566
local terms energy: -101.060955
where:
bonds (distance) C4'-P energy: -27.340
bonds (distance) P-C4' energy: -28.503
flat angles C4'-P-C4' energy: -27.692
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -5.570
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: 279
Temperature: 1.350000
Total energy: -150.147618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.147618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.147618 (E_RNA)
where:
Base-Base interactions energy: -65.731
where: short stacking energy: -44.541
Base-Backbone interact. energy: -0.349
local terms energy: -84.068121
where:
bonds (distance) C4'-P energy: -23.246
bonds (distance) P-C4' energy: -25.041
flat angles C4'-P-C4' energy: -23.555
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -0.360
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: 1, replica: 6
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -553.561773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.561773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.561773 (E_RNA)
where:
Base-Base interactions energy: -379.239
where: short stacking energy: -173.129
Base-Backbone interact. energy: -0.011
local terms energy: -174.311751
where:
bonds (distance) C4'-P energy: -34.869
bonds (distance) P-C4' energy: -29.056
flat angles C4'-P-C4' energy: -34.706
flat angles P-C4'-P energy: -27.410
tors. eta vs tors. theta energy: -48.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -515.426456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.426456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.426456 (E_RNA)
where:
Base-Base interactions energy: -355.683
where: short stacking energy: -158.195
Base-Backbone interact. energy: -1.015
local terms energy: -158.728584
where:
bonds (distance) C4'-P energy: -29.742
bonds (distance) P-C4' energy: -33.297
flat angles C4'-P-C4' energy: -31.759
flat angles P-C4'-P energy: -22.908
tors. eta vs tors. theta energy: -41.022
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: 2
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -491.111640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.111640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.111640 (E_RNA)
where:
Base-Base interactions energy: -330.115
where: short stacking energy: -149.342
Base-Backbone interact. energy: -0.012
local terms energy: -160.984452
where:
bonds (distance) C4'-P energy: -25.481
bonds (distance) P-C4' energy: -33.628
flat angles C4'-P-C4' energy: -28.484
flat angles P-C4'-P energy: -25.830
tors. eta vs tors. theta energy: -47.561
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: 4, replica: 7
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -443.095579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.095579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.095579 (E_RNA)
where:
Base-Base interactions energy: -288.606
where: short stacking energy: -131.825
Base-Backbone interact. energy: -0.350
local terms energy: -154.139536
where:
bonds (distance) C4'-P energy: -33.115
bonds (distance) P-C4' energy: -34.128
flat angles C4'-P-C4' energy: -23.108
flat angles P-C4'-P energy: -25.607
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: 5, replica: 3
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -435.166855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.166855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.166855 (E_RNA)
where:
Base-Base interactions energy: -286.294
where: short stacking energy: -126.144
Base-Backbone interact. energy: -0.111
local terms energy: -148.761831
where:
bonds (distance) C4'-P energy: -25.473
bonds (distance) P-C4' energy: -36.789
flat angles C4'-P-C4' energy: -29.761
flat angles P-C4'-P energy: -25.061
tors. eta vs tors. theta energy: -31.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -429.083725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.083725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.083725 (E_RNA)
where:
Base-Base interactions energy: -287.671
where: short stacking energy: -139.135
Base-Backbone interact. energy: -2.726
local terms energy: -138.687036
where:
bonds (distance) C4'-P energy: -24.939
bonds (distance) P-C4' energy: -28.420
flat angles C4'-P-C4' energy: -27.082
flat angles P-C4'-P energy: -18.430
tors. eta vs tors. theta energy: -39.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -319.859309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.859309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.859309 (E_RNA)
where:
Base-Base interactions energy: -185.712
where: short stacking energy: -81.653
Base-Backbone interact. energy: 0.108
local terms energy: -134.254421
where:
bonds (distance) C4'-P energy: -29.569
bonds (distance) P-C4' energy: -30.382
flat angles C4'-P-C4' energy: -31.642
flat angles P-C4'-P energy: -17.893
tors. eta vs tors. theta energy: -24.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -262.650180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.650180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.650180 (E_RNA)
where:
Base-Base interactions energy: -141.669
where: short stacking energy: -71.483
Base-Backbone interact. energy: -0.286
local terms energy: -120.695217
where:
bonds (distance) C4'-P energy: -34.011
bonds (distance) P-C4' energy: -23.816
flat angles C4'-P-C4' energy: -32.332
flat angles P-C4'-P energy: -18.533
tors. eta vs tors. theta energy: -12.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -165.293315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.293315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.293315 (E_RNA)
where:
Base-Base interactions energy: -59.043
where: short stacking energy: -57.771
Base-Backbone interact. energy: -0.230
local terms energy: -106.020005
where:
bonds (distance) C4'-P energy: -29.808
bonds (distance) P-C4' energy: -22.926
flat angles C4'-P-C4' energy: -28.494
flat angles P-C4'-P energy: -18.081
tors. eta vs tors. theta energy: -6.712
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: 4
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -148.085324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.085324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.085324 (E_RNA)
where:
Base-Base interactions energy: -42.158
where: short stacking energy: -39.557
Base-Backbone interact. energy: -1.320
local terms energy: -104.608108
where:
bonds (distance) C4'-P energy: -28.871
bonds (distance) P-C4' energy: -29.340
flat angles C4'-P-C4' energy: -30.136
flat angles P-C4'-P energy: -16.152
tors. eta vs tors. theta energy: -0.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -547.899626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.899626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.899626 (E_RNA)
where:
Base-Base interactions energy: -371.515
where: short stacking energy: -172.646
Base-Backbone interact. energy: -0.018
local terms energy: -176.366205
where:
bonds (distance) C4'-P energy: -31.053
bonds (distance) P-C4' energy: -34.031
flat angles C4'-P-C4' energy: -35.814
flat angles P-C4'-P energy: -23.214
tors. eta vs tors. theta energy: -52.254
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: 2
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -533.635956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.635956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.635956 (E_RNA)
where:
Base-Base interactions energy: -361.814
where: short stacking energy: -158.085
Base-Backbone interact. energy: -1.826
local terms energy: -169.996340
where:
bonds (distance) C4'-P energy: -24.137
bonds (distance) P-C4' energy: -30.416
flat angles C4'-P-C4' energy: -39.563
flat angles P-C4'-P energy: -23.308
tors. eta vs tors. theta energy: -52.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -494.468060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.468060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.468060 (E_RNA)
where:
Base-Base interactions energy: -329.250
where: short stacking energy: -138.279
Base-Backbone interact. energy: -1.636
local terms energy: -163.582567
where:
bonds (distance) C4'-P energy: -25.079
bonds (distance) P-C4' energy: -36.541
flat angles C4'-P-C4' energy: -38.880
flat angles P-C4'-P energy: -25.527
tors. eta vs tors. theta energy: -37.555
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: 7
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -429.480671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.480671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.480671 (E_RNA)
where:
Base-Base interactions energy: -282.139
where: short stacking energy: -130.753
Base-Backbone interact. energy: -2.039
local terms energy: -145.302659
where:
bonds (distance) C4'-P energy: -21.979
bonds (distance) P-C4' energy: -32.362
flat angles C4'-P-C4' energy: -31.544
flat angles P-C4'-P energy: -21.289
tors. eta vs tors. theta energy: -38.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -424.095263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.095263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.095263 (E_RNA)
where:
Base-Base interactions energy: -279.836
where: short stacking energy: -136.951
Base-Backbone interact. energy: 1.286
local terms energy: -145.544876
where:
bonds (distance) C4'-P energy: -22.990
bonds (distance) P-C4' energy: -33.921
flat angles C4'-P-C4' energy: -31.627
flat angles P-C4'-P energy: -21.362
tors. eta vs tors. theta energy: -35.644
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: 1
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -420.455837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.455837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.455837 (E_RNA)
where:
Base-Base interactions energy: -275.118
where: short stacking energy: -131.935
Base-Backbone interact. energy: -0.447
local terms energy: -144.891008
where:
bonds (distance) C4'-P energy: -24.166
bonds (distance) P-C4' energy: -26.268
flat angles C4'-P-C4' energy: -31.408
flat angles P-C4'-P energy: -22.519
tors. eta vs tors. theta energy: -40.530
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: 7, replica: 5
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -316.549572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.549572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.549572 (E_RNA)
where:
Base-Base interactions energy: -200.776
where: short stacking energy: -98.585
Base-Backbone interact. energy: -1.799
local terms energy: -113.974575
where:
bonds (distance) C4'-P energy: -32.744
bonds (distance) P-C4' energy: -22.839
flat angles C4'-P-C4' energy: -22.743
flat angles P-C4'-P energy: -18.704
tors. eta vs tors. theta energy: -16.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -244.707662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.707662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.707662 (E_RNA)
where:
Base-Base interactions energy: -145.046
where: short stacking energy: -78.808
Base-Backbone interact. energy: -0.591
local terms energy: -99.070816
where:
bonds (distance) C4'-P energy: -20.304
bonds (distance) P-C4' energy: -24.666
flat angles C4'-P-C4' energy: -21.555
flat angles P-C4'-P energy: -15.008
tors. eta vs tors. theta energy: -17.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -153.941329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.941329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.941329 (E_RNA)
where:
Base-Base interactions energy: -55.209
where: short stacking energy: -56.247
Base-Backbone interact. energy: -0.338
local terms energy: -98.394356
where:
bonds (distance) C4'-P energy: -16.713
bonds (distance) P-C4' energy: -35.120
flat angles C4'-P-C4' energy: -21.102
flat angles P-C4'-P energy: -16.792
tors. eta vs tors. theta energy: -8.667
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: 4
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -145.947914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.947914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.947914 (E_RNA)
where:
Base-Base interactions energy: -46.139
where: short stacking energy: -46.914
Base-Backbone interact. energy: -0.372
local terms energy: -99.437597
where:
bonds (distance) C4'-P energy: -30.190
bonds (distance) P-C4' energy: -22.943
flat angles C4'-P-C4' energy: -24.509
flat angles P-C4'-P energy: -18.493
tors. eta vs tors. theta energy: -3.303
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: 2
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -548.288029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.288029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.288029 (E_RNA)
where:
Base-Base interactions energy: -363.914
where: short stacking energy: -160.616
Base-Backbone interact. energy: -1.344
local terms energy: -183.030482
where:
bonds (distance) C4'-P energy: -31.364
bonds (distance) P-C4' energy: -37.939
flat angles C4'-P-C4' energy: -35.930
flat angles P-C4'-P energy: -28.682
tors. eta vs tors. theta energy: -49.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -532.736571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.736571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.736571 (E_RNA)
where:
Base-Base interactions energy: -357.577
where: short stacking energy: -162.072
Base-Backbone interact. energy: -0.620
local terms energy: -174.539922
where:
bonds (distance) C4'-P energy: -29.835
bonds (distance) P-C4' energy: -30.726
flat angles C4'-P-C4' energy: -37.967
flat angles P-C4'-P energy: -29.661
tors. eta vs tors. theta energy: -46.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -513.070255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.070255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.070255 (E_RNA)
where:
Base-Base interactions energy: -344.535
where: short stacking energy: -153.677
Base-Backbone interact. energy: -1.532
local terms energy: -167.003082
where:
bonds (distance) C4'-P energy: -32.732
bonds (distance) P-C4' energy: -28.416
flat angles C4'-P-C4' energy: -32.618
flat angles P-C4'-P energy: -30.674
tors. eta vs tors. theta energy: -42.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -436.647090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.647090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.647090 (E_RNA)
where:
Base-Base interactions energy: -285.292
where: short stacking energy: -131.846
Base-Backbone interact. energy: -0.445
local terms energy: -150.910138
where:
bonds (distance) C4'-P energy: -29.565
bonds (distance) P-C4' energy: -35.250
flat angles C4'-P-C4' energy: -36.614
flat angles P-C4'-P energy: -16.592
tors. eta vs tors. theta energy: -32.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -439.006264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.006264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.006264 (E_RNA)
where:
Base-Base interactions energy: -289.064
where: short stacking energy: -135.995
Base-Backbone interact. energy: 0.378
local terms energy: -150.320459
where:
bonds (distance) C4'-P energy: -27.217
bonds (distance) P-C4' energy: -30.594
flat angles C4'-P-C4' energy: -30.476
flat angles P-C4'-P energy: -20.676
tors. eta vs tors. theta energy: -41.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -417.829097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.829097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.829097 (E_RNA)
where:
Base-Base interactions energy: -276.789
where: short stacking energy: -132.626
Base-Backbone interact. energy: -1.272
local terms energy: -139.767263
where:
bonds (distance) C4'-P energy: -27.132
bonds (distance) P-C4' energy: -29.205
flat angles C4'-P-C4' energy: -35.148
flat angles P-C4'-P energy: -17.817
tors. eta vs tors. theta energy: -30.465
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: 7, replica: 5
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -314.820492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.820492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.820492 (E_RNA)
where:
Base-Base interactions energy: -188.194
where: short stacking energy: -97.494
Base-Backbone interact. energy: -0.352
local terms energy: -126.274536
where:
bonds (distance) C4'-P energy: -23.834
bonds (distance) P-C4' energy: -29.377
flat angles C4'-P-C4' energy: -31.455
flat angles P-C4'-P energy: -23.294
tors. eta vs tors. theta energy: -18.316
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: 8
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -247.239704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.239704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.239704 (E_RNA)
where:
Base-Base interactions energy: -136.241
where: short stacking energy: -77.275
Base-Backbone interact. energy: -0.369
local terms energy: -110.629893
where:
bonds (distance) C4'-P energy: -22.673
bonds (distance) P-C4' energy: -28.997
flat angles C4'-P-C4' energy: -30.209
flat angles P-C4'-P energy: -16.941
tors. eta vs tors. theta energy: -11.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -161.327536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.327536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.327536 (E_RNA)
where:
Base-Base interactions energy: -62.648
where: short stacking energy: -53.999
Base-Backbone interact. energy: -1.099
local terms energy: -97.581019
where:
bonds (distance) C4'-P energy: -29.058
bonds (distance) P-C4' energy: -27.231
flat angles C4'-P-C4' energy: -24.167
flat angles P-C4'-P energy: -13.249
tors. eta vs tors. theta energy: -3.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -145.307919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.307919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.307919 (E_RNA)
where:
Base-Base interactions energy: -60.135
where: short stacking energy: -42.167
Base-Backbone interact. energy: 4.777
local terms energy: -89.949824
where:
bonds (distance) C4'-P energy: -27.447
bonds (distance) P-C4' energy: -23.583
flat angles C4'-P-C4' energy: -23.593
flat angles P-C4'-P energy: -18.935
tors. eta vs tors. theta energy: 3.608
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: 1, replica: 2
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -532.562786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.562786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.562786 (E_RNA)
where:
Base-Base interactions energy: -362.823
where: short stacking energy: -161.973
Base-Backbone interact. energy: -1.614
local terms energy: -168.125674
where:
bonds (distance) C4'-P energy: -30.864
bonds (distance) P-C4' energy: -28.540
flat angles C4'-P-C4' energy: -32.775
flat angles P-C4'-P energy: -20.440
tors. eta vs tors. theta energy: -55.507
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: 6
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -530.330510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.330510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.330510 (E_RNA)
where:
Base-Base interactions energy: -366.872
where: short stacking energy: -158.046
Base-Backbone interact. energy: -0.168
local terms energy: -163.290289
where:
bonds (distance) C4'-P energy: -30.706
bonds (distance) P-C4' energy: -29.025
flat angles C4'-P-C4' energy: -36.400
flat angles P-C4'-P energy: -24.925
tors. eta vs tors. theta energy: -42.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -512.437892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.437892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.437892 (E_RNA)
where:
Base-Base interactions energy: -340.256
where: short stacking energy: -159.352
Base-Backbone interact. energy: -2.923
local terms energy: -169.259303
where:
bonds (distance) C4'-P energy: -30.200
bonds (distance) P-C4' energy: -31.986
flat angles C4'-P-C4' energy: -38.978
flat angles P-C4'-P energy: -25.406
tors. eta vs tors. theta energy: -42.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -445.245577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.245577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.245577 (E_RNA)
where:
Base-Base interactions energy: -288.403
where: short stacking energy: -141.689
Base-Backbone interact. energy: 1.475
local terms energy: -158.317014
where:
bonds (distance) C4'-P energy: -30.776
bonds (distance) P-C4' energy: -33.977
flat angles C4'-P-C4' energy: -30.282
flat angles P-C4'-P energy: -21.638
tors. eta vs tors. theta energy: -41.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -420.686274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.686274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.686274 (E_RNA)
where:
Base-Base interactions energy: -280.623
where: short stacking energy: -134.564
Base-Backbone interact. energy: 0.519
local terms energy: -140.582630
where:
bonds (distance) C4'-P energy: -29.957
bonds (distance) P-C4' energy: -25.378
flat angles C4'-P-C4' energy: -29.254
flat angles P-C4'-P energy: -21.955
tors. eta vs tors. theta energy: -34.039
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: 3
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -417.619966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.619966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.619966 (E_RNA)
where:
Base-Base interactions energy: -269.097
where: short stacking energy: -134.145
Base-Backbone interact. energy: -0.391
local terms energy: -148.131824
where:
bonds (distance) C4'-P energy: -25.680
bonds (distance) P-C4' energy: -33.526
flat angles C4'-P-C4' energy: -32.001
flat angles P-C4'-P energy: -20.494
tors. eta vs tors. theta energy: -36.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -319.482222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.482222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.482222 (E_RNA)
where:
Base-Base interactions energy: -193.223
where: short stacking energy: -92.641
Base-Backbone interact. energy: -0.623
local terms energy: -125.636172
where:
bonds (distance) C4'-P energy: -26.513
bonds (distance) P-C4' energy: -27.729
flat angles C4'-P-C4' energy: -28.718
flat angles P-C4'-P energy: -21.181
tors. eta vs tors. theta energy: -21.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -199.778702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.778702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.778702 (E_RNA)
where:
Base-Base interactions energy: -82.389
where: short stacking energy: -64.416
Base-Backbone interact. energy: -0.273
local terms energy: -117.117098
where:
bonds (distance) C4'-P energy: -31.452
bonds (distance) P-C4' energy: -29.443
flat angles C4'-P-C4' energy: -27.855
flat angles P-C4'-P energy: -12.875
tors. eta vs tors. theta energy: -15.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -231.269936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.269936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.269936 (E_RNA)
where:
Base-Base interactions energy: -120.178
where: short stacking energy: -77.327
Base-Backbone interact. energy: -0.642
local terms energy: -110.449667
where:
bonds (distance) C4'-P energy: -30.067
bonds (distance) P-C4' energy: -26.099
flat angles C4'-P-C4' energy: -32.727
flat angles P-C4'-P energy: -14.062
tors. eta vs tors. theta energy: -7.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -148.410432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.410432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.410432 (E_RNA)
where:
Base-Base interactions energy: -46.898
where: short stacking energy: -38.394
Base-Backbone interact. energy: -0.167
local terms energy: -101.345354
where:
bonds (distance) C4'-P energy: -29.572
bonds (distance) P-C4' energy: -31.742
flat angles C4'-P-C4' energy: -22.926
flat angles P-C4'-P energy: -14.008
tors. eta vs tors. theta energy: -3.098
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: 1, replica: 6
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -546.581444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.581444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.581444 (E_RNA)
where:
Base-Base interactions energy: -368.173
where: short stacking energy: -164.232
Base-Backbone interact. energy: -0.822
local terms energy: -177.586246
where:
bonds (distance) C4'-P energy: -32.073
bonds (distance) P-C4' energy: -36.695
flat angles C4'-P-C4' energy: -35.830
flat angles P-C4'-P energy: -23.459
tors. eta vs tors. theta energy: -49.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -526.975598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.975598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.975598 (E_RNA)
where:
Base-Base interactions energy: -362.751
where: short stacking energy: -160.323
Base-Backbone interact. energy: -1.535
local terms energy: -162.689654
where:
bonds (distance) C4'-P energy: -31.479
bonds (distance) P-C4' energy: -29.672
flat angles C4'-P-C4' energy: -33.313
flat angles P-C4'-P energy: -18.889
tors. eta vs tors. theta energy: -49.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -508.607739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.607739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.607739 (E_RNA)
where:
Base-Base interactions energy: -350.061
where: short stacking energy: -158.156
Base-Backbone interact. energy: -1.409
local terms energy: -157.138064
where:
bonds (distance) C4'-P energy: -24.695
bonds (distance) P-C4' energy: -35.190
flat angles C4'-P-C4' energy: -30.674
flat angles P-C4'-P energy: -24.633
tors. eta vs tors. theta energy: -41.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -447.864050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.864050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.864050 (E_RNA)
where:
Base-Base interactions energy: -292.004
where: short stacking energy: -138.424
Base-Backbone interact. energy: -1.525
local terms energy: -154.335741
where:
bonds (distance) C4'-P energy: -27.536
bonds (distance) P-C4' energy: -31.878
flat angles C4'-P-C4' energy: -33.360
flat angles P-C4'-P energy: -23.107
tors. eta vs tors. theta energy: -38.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -427.907505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.907505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.907505 (E_RNA)
where:
Base-Base interactions energy: -285.161
where: short stacking energy: -128.071
Base-Backbone interact. energy: -0.058
local terms energy: -142.689162
where:
bonds (distance) C4'-P energy: -25.911
bonds (distance) P-C4' energy: -28.686
flat angles C4'-P-C4' energy: -31.106
flat angles P-C4'-P energy: -20.477
tors. eta vs tors. theta energy: -36.508
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: 6, replica: 7
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -428.828077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.828077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.828077 (E_RNA)
where:
Base-Base interactions energy: -286.253
where: short stacking energy: -128.273
Base-Backbone interact. energy: -0.366
local terms energy: -142.208839
where:
bonds (distance) C4'-P energy: -27.855
bonds (distance) P-C4' energy: -32.888
flat angles C4'-P-C4' energy: -29.052
flat angles P-C4'-P energy: -23.956
tors. eta vs tors. theta energy: -28.458
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: 5
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -343.617170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.617170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.617170 (E_RNA)
where:
Base-Base interactions energy: -206.022
where: short stacking energy: -107.317
Base-Backbone interact. energy: 0.536
local terms energy: -138.131490
where:
bonds (distance) C4'-P energy: -26.094
bonds (distance) P-C4' energy: -33.208
flat angles C4'-P-C4' energy: -32.609
flat angles P-C4'-P energy: -14.465
tors. eta vs tors. theta energy: -31.755
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: 4
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -166.136182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.136182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.136182 (E_RNA)
where:
Base-Base interactions energy: -57.843
where: short stacking energy: -57.728
Base-Backbone interact. energy: -1.255
local terms energy: -107.038513
where:
bonds (distance) C4'-P energy: -26.115
bonds (distance) P-C4' energy: -19.899
flat angles C4'-P-C4' energy: -24.843
flat angles P-C4'-P energy: -24.079
tors. eta vs tors. theta energy: -12.102
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: 9, replica: 8
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -218.347364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.347364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.347364 (E_RNA)
where:
Base-Base interactions energy: -105.448
where: short stacking energy: -52.615
Base-Backbone interact. energy: -0.067
local terms energy: -112.832756
where:
bonds (distance) C4'-P energy: -25.732
bonds (distance) P-C4' energy: -25.786
flat angles C4'-P-C4' energy: -34.120
flat angles P-C4'-P energy: -20.425
tors. eta vs tors. theta energy: -6.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -147.004402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.004402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.004402 (E_RNA)
where:
Base-Base interactions energy: -61.650
where: short stacking energy: -42.194
Base-Backbone interact. energy: -0.490
local terms energy: -84.864052
where:
bonds (distance) C4'-P energy: -26.847
bonds (distance) P-C4' energy: -28.371
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -14.620
tors. eta vs tors. theta energy: -1.156
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: 6
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -529.639744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.639744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.639744 (E_RNA)
where:
Base-Base interactions energy: -356.639
where: short stacking energy: -162.520
Base-Backbone interact. energy: -0.327
local terms energy: -172.674174
where:
bonds (distance) C4'-P energy: -29.720
bonds (distance) P-C4' energy: -37.093
flat angles C4'-P-C4' energy: -35.648
flat angles P-C4'-P energy: -25.745
tors. eta vs tors. theta energy: -44.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -533.433689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.433689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.433689 (E_RNA)
where:
Base-Base interactions energy: -366.437
where: short stacking energy: -164.666
Base-Backbone interact. energy: 0.098
local terms energy: -167.094728
where:
bonds (distance) C4'-P energy: -29.325
bonds (distance) P-C4' energy: -32.647
flat angles C4'-P-C4' energy: -32.711
flat angles P-C4'-P energy: -22.148
tors. eta vs tors. theta energy: -50.264
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: 10
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -514.337981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.337981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.337981 (E_RNA)
where:
Base-Base interactions energy: -348.084
where: short stacking energy: -160.521
Base-Backbone interact. energy: -0.153
local terms energy: -166.101642
where:
bonds (distance) C4'-P energy: -32.532
bonds (distance) P-C4' energy: -32.157
flat angles C4'-P-C4' energy: -37.138
flat angles P-C4'-P energy: -19.827
tors. eta vs tors. theta energy: -44.447
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: 4, replica: 1
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -438.458605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.458605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.458605 (E_RNA)
where:
Base-Base interactions energy: -287.487
where: short stacking energy: -136.799
Base-Backbone interact. energy: -0.630
local terms energy: -150.341593
where:
bonds (distance) C4'-P energy: -25.116
bonds (distance) P-C4' energy: -24.569
flat angles C4'-P-C4' energy: -34.791
flat angles P-C4'-P energy: -25.468
tors. eta vs tors. theta energy: -40.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -428.270308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.270308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.270308 (E_RNA)
where:
Base-Base interactions energy: -277.304
where: short stacking energy: -131.618
Base-Backbone interact. energy: -1.677
local terms energy: -149.289540
where:
bonds (distance) C4'-P energy: -34.678
bonds (distance) P-C4' energy: -24.806
flat angles C4'-P-C4' energy: -34.971
flat angles P-C4'-P energy: -21.936
tors. eta vs tors. theta energy: -32.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -426.770198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.770198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.770198 (E_RNA)
where:
Base-Base interactions energy: -282.787
where: short stacking energy: -128.236
Base-Backbone interact. energy: -1.428
local terms energy: -142.554579
where:
bonds (distance) C4'-P energy: -33.215
bonds (distance) P-C4' energy: -33.386
flat angles C4'-P-C4' energy: -32.965
flat angles P-C4'-P energy: -15.133
tors. eta vs tors. theta energy: -27.856
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: 5
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -343.983193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.983193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.983193 (E_RNA)
where:
Base-Base interactions energy: -211.080
where: short stacking energy: -111.999
Base-Backbone interact. energy: -1.188
local terms energy: -131.715436
where:
bonds (distance) C4'-P energy: -28.358
bonds (distance) P-C4' energy: -29.942
flat angles C4'-P-C4' energy: -24.850
flat angles P-C4'-P energy: -21.316
tors. eta vs tors. theta energy: -27.250
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: 8, replica: 8
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -262.670845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.670845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.670845 (E_RNA)
where:
Base-Base interactions energy: -164.650
where: short stacking energy: -90.157
Base-Backbone interact. energy: -1.922
local terms energy: -96.098714
where:
bonds (distance) C4'-P energy: -21.242
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -25.045
flat angles P-C4'-P energy: -13.456
tors. eta vs tors. theta energy: -21.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -163.935969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.935969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.935969 (E_RNA)
where:
Base-Base interactions energy: -60.953
where: short stacking energy: -45.380
Base-Backbone interact. energy: 0.251
local terms energy: -103.233752
where:
bonds (distance) C4'-P energy: -33.508
bonds (distance) P-C4' energy: -28.769
flat angles C4'-P-C4' energy: -27.847
flat angles P-C4'-P energy: -14.619
tors. eta vs tors. theta energy: 1.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -154.162036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.162036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.162036 (E_RNA)
where:
Base-Base interactions energy: -55.992
where: short stacking energy: -50.408
Base-Backbone interact. energy: -0.551
local terms energy: -97.619061
where:
bonds (distance) C4'-P energy: -22.043
bonds (distance) P-C4' energy: -34.279
flat angles C4'-P-C4' energy: -23.535
flat angles P-C4'-P energy: -19.689
tors. eta vs tors. theta energy: 1.927
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: 6
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -539.750375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.750375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.750375 (E_RNA)
where:
Base-Base interactions energy: -375.280
where: short stacking energy: -164.206
Base-Backbone interact. energy: -1.088
local terms energy: -163.382604
where:
bonds (distance) C4'-P energy: -31.001
bonds (distance) P-C4' energy: -34.860
flat angles C4'-P-C4' energy: -31.420
flat angles P-C4'-P energy: -21.539
tors. eta vs tors. theta energy: -44.562
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: 2, replica: 2
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -493.695660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.695660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.695660 (E_RNA)
where:
Base-Base interactions energy: -336.422
where: short stacking energy: -154.878
Base-Backbone interact. energy: -0.560
local terms energy: -156.713666
where:
bonds (distance) C4'-P energy: -23.004
bonds (distance) P-C4' energy: -32.012
flat angles C4'-P-C4' energy: -31.378
flat angles P-C4'-P energy: -24.754
tors. eta vs tors. theta energy: -45.565
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: 286
Temperature: 1.000000
Total energy: -485.517693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.517693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.517693 (E_RNA)
where:
Base-Base interactions energy: -333.088
where: short stacking energy: -145.472
Base-Backbone interact. energy: 0.313
local terms energy: -152.742600
where:
bonds (distance) C4'-P energy: -33.704
bonds (distance) P-C4' energy: -29.872
flat angles C4'-P-C4' energy: -37.298
flat angles P-C4'-P energy: -15.722
tors. eta vs tors. theta energy: -36.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -449.944043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.944043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.944043 (E_RNA)
where:
Base-Base interactions energy: -298.592
where: short stacking energy: -140.901
Base-Backbone interact. energy: -1.001
local terms energy: -150.351255
where:
bonds (distance) C4'-P energy: -25.865
bonds (distance) P-C4' energy: -32.019
flat angles C4'-P-C4' energy: -27.776
flat angles P-C4'-P energy: -23.698
tors. eta vs tors. theta energy: -40.993
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: 7
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -445.382132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.382132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.382132 (E_RNA)
where:
Base-Base interactions energy: -299.791
where: short stacking energy: -141.642
Base-Backbone interact. energy: 0.321
local terms energy: -145.912040
where:
bonds (distance) C4'-P energy: -28.141
bonds (distance) P-C4' energy: -26.943
flat angles C4'-P-C4' energy: -29.202
flat angles P-C4'-P energy: -22.684
tors. eta vs tors. theta energy: -38.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -392.083410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.083410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.083410 (E_RNA)
where:
Base-Base interactions energy: -255.252
where: short stacking energy: -122.781
Base-Backbone interact. energy: -0.726
local terms energy: -136.105200
where:
bonds (distance) C4'-P energy: -24.388
bonds (distance) P-C4' energy: -29.354
flat angles C4'-P-C4' energy: -28.160
flat angles P-C4'-P energy: -22.951
tors. eta vs tors. theta energy: -31.252
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: 5
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -345.603905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.603905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.603905 (E_RNA)
where:
Base-Base interactions energy: -202.488
where: short stacking energy: -107.230
Base-Backbone interact. energy: 0.045
local terms energy: -143.160927
where:
bonds (distance) C4'-P energy: -27.116
bonds (distance) P-C4' energy: -33.649
flat angles C4'-P-C4' energy: -27.486
flat angles P-C4'-P energy: -22.115
tors. eta vs tors. theta energy: -32.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -249.737265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.737265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.737265 (E_RNA)
where:
Base-Base interactions energy: -139.676
where: short stacking energy: -77.038
Base-Backbone interact. energy: -1.164
local terms energy: -108.896441
where:
bonds (distance) C4'-P energy: -31.380
bonds (distance) P-C4' energy: -27.269
flat angles C4'-P-C4' energy: -25.090
flat angles P-C4'-P energy: -14.396
tors. eta vs tors. theta energy: -10.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -164.455991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.455991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.455991 (E_RNA)
where:
Base-Base interactions energy: -53.843
where: short stacking energy: -50.182
Base-Backbone interact. energy: -1.030
local terms energy: -109.583472
where:
bonds (distance) C4'-P energy: -24.314
bonds (distance) P-C4' energy: -32.272
flat angles C4'-P-C4' energy: -30.809
flat angles P-C4'-P energy: -19.646
tors. eta vs tors. theta energy: -2.542
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: 10, replica: 9
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -146.052093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.052093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.052093 (E_RNA)
where:
Base-Base interactions energy: -52.171
where: short stacking energy: -41.355
Base-Backbone interact. energy: -1.770
local terms energy: -92.110791
where:
bonds (distance) C4'-P energy: -24.658
bonds (distance) P-C4' energy: -34.392
flat angles C4'-P-C4' energy: -27.136
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: 5.543
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: 6
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -538.221933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.221933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.221933 (E_RNA)
where:
Base-Base interactions energy: -371.444
where: short stacking energy: -170.495
Base-Backbone interact. energy: -1.292
local terms energy: -165.485386
where:
bonds (distance) C4'-P energy: -24.384
bonds (distance) P-C4' energy: -32.676
flat angles C4'-P-C4' energy: -34.172
flat angles P-C4'-P energy: -25.221
tors. eta vs tors. theta energy: -49.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -502.371990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.371990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.371990 (E_RNA)
where:
Base-Base interactions energy: -331.328
where: short stacking energy: -143.243
Base-Backbone interact. energy: -0.376
local terms energy: -170.667879
where:
bonds (distance) C4'-P energy: -27.308
bonds (distance) P-C4' energy: -35.427
flat angles C4'-P-C4' energy: -33.857
flat angles P-C4'-P energy: -28.756
tors. eta vs tors. theta energy: -45.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -509.793546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.793546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.793546 (E_RNA)
where:
Base-Base interactions energy: -349.429
where: short stacking energy: -155.877
Base-Backbone interact. energy: -0.007
local terms energy: -160.357738
where:
bonds (distance) C4'-P energy: -33.215
bonds (distance) P-C4' energy: -32.870
flat angles C4'-P-C4' energy: -36.492
flat angles P-C4'-P energy: -15.144
tors. eta vs tors. theta energy: -42.636
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: 1
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -466.295357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.295357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.295357 (E_RNA)
where:
Base-Base interactions energy: -305.496
where: short stacking energy: -143.171
Base-Backbone interact. energy: 0.095
local terms energy: -160.894275
where:
bonds (distance) C4'-P energy: -20.431
bonds (distance) P-C4' energy: -37.150
flat angles C4'-P-C4' energy: -37.450
flat angles P-C4'-P energy: -23.293
tors. eta vs tors. theta energy: -42.571
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: 7
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -465.280601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.280601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.280601 (E_RNA)
where:
Base-Base interactions energy: -318.907
where: short stacking energy: -138.846
Base-Backbone interact. energy: -1.591
local terms energy: -144.782080
where:
bonds (distance) C4'-P energy: -17.719
bonds (distance) P-C4' energy: -27.400
flat angles C4'-P-C4' energy: -35.560
flat angles P-C4'-P energy: -25.553
tors. eta vs tors. theta energy: -38.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -380.857859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.857859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.857859 (E_RNA)
where:
Base-Base interactions energy: -261.252
where: short stacking energy: -109.541
Base-Backbone interact. energy: 2.276
local terms energy: -121.881420
where:
bonds (distance) C4'-P energy: -28.043
bonds (distance) P-C4' energy: -28.616
flat angles C4'-P-C4' energy: -27.135
flat angles P-C4'-P energy: -21.793
tors. eta vs tors. theta energy: -16.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -337.910236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.910236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.910236 (E_RNA)
where:
Base-Base interactions energy: -222.277
where: short stacking energy: -110.610
Base-Backbone interact. energy: -0.627
local terms energy: -115.006229
where:
bonds (distance) C4'-P energy: -25.423
bonds (distance) P-C4' energy: -28.343
flat angles C4'-P-C4' energy: -26.032
flat angles P-C4'-P energy: -13.552
tors. eta vs tors. theta energy: -21.656
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: 8
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -272.007235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.007235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.007235 (E_RNA)
where:
Base-Base interactions energy: -156.476
where: short stacking energy: -79.031
Base-Backbone interact. energy: -0.409
local terms energy: -115.122984
where:
bonds (distance) C4'-P energy: -33.244
bonds (distance) P-C4' energy: -26.504
flat angles C4'-P-C4' energy: -31.941
flat angles P-C4'-P energy: -14.107
tors. eta vs tors. theta energy: -9.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -162.702041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.702041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.702041 (E_RNA)
where:
Base-Base interactions energy: -66.407
where: short stacking energy: -49.985
Base-Backbone interact. energy: 1.853
local terms energy: -98.147604
where:
bonds (distance) C4'-P energy: -28.880
bonds (distance) P-C4' energy: -29.914
flat angles C4'-P-C4' energy: -25.305
flat angles P-C4'-P energy: -6.485
tors. eta vs tors. theta energy: -7.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -148.461535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.461535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.461535 (E_RNA)
where:
Base-Base interactions energy: -58.754
where: short stacking energy: -50.550
Base-Backbone interact. energy: -0.799
local terms energy: -88.907905
where:
bonds (distance) C4'-P energy: -24.372
bonds (distance) P-C4' energy: -30.291
flat angles C4'-P-C4' energy: -24.011
flat angles P-C4'-P energy: -12.864
tors. eta vs tors. theta energy: 2.630
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: 1, replica: 6
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -549.691900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.691900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.691900 (E_RNA)
where:
Base-Base interactions energy: -378.561
where: short stacking energy: -174.494
Base-Backbone interact. energy: -0.009
local terms energy: -171.121651
where:
bonds (distance) C4'-P energy: -28.041
bonds (distance) P-C4' energy: -31.905
flat angles C4'-P-C4' energy: -37.565
flat angles P-C4'-P energy: -24.297
tors. eta vs tors. theta energy: -49.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -502.980920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.980920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.980920 (E_RNA)
where:
Base-Base interactions energy: -339.807
where: short stacking energy: -149.256
Base-Backbone interact. energy: -0.681
local terms energy: -162.493148
where:
bonds (distance) C4'-P energy: -30.761
bonds (distance) P-C4' energy: -29.477
flat angles C4'-P-C4' energy: -36.778
flat angles P-C4'-P energy: -26.688
tors. eta vs tors. theta energy: -38.789
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: 10
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -500.789439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.789439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.789439 (E_RNA)
where:
Base-Base interactions energy: -343.815
where: short stacking energy: -146.991
Base-Backbone interact. energy: -0.931
local terms energy: -156.044079
where:
bonds (distance) C4'-P energy: -31.931
bonds (distance) P-C4' energy: -29.204
flat angles C4'-P-C4' energy: -32.017
flat angles P-C4'-P energy: -26.038
tors. eta vs tors. theta energy: -36.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -471.777406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.777406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.777406 (E_RNA)
where:
Base-Base interactions energy: -297.559
where: short stacking energy: -131.545
Base-Backbone interact. energy: -0.703
local terms energy: -173.515407
where:
bonds (distance) C4'-P energy: -30.619
bonds (distance) P-C4' energy: -38.050
flat angles C4'-P-C4' energy: -36.474
flat angles P-C4'-P energy: -28.462
tors. eta vs tors. theta energy: -39.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -447.199310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.199310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.199310 (E_RNA)
where:
Base-Base interactions energy: -292.436
where: short stacking energy: -133.145
Base-Backbone interact. energy: -0.569
local terms energy: -154.194338
where:
bonds (distance) C4'-P energy: -28.543
bonds (distance) P-C4' energy: -31.956
flat angles C4'-P-C4' energy: -30.447
flat angles P-C4'-P energy: -26.467
tors. eta vs tors. theta energy: -36.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -411.145184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.145184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.145184 (E_RNA)
where:
Base-Base interactions energy: -265.368
where: short stacking energy: -103.627
Base-Backbone interact. energy: -0.919
local terms energy: -144.858304
where:
bonds (distance) C4'-P energy: -33.005
bonds (distance) P-C4' energy: -28.515
flat angles C4'-P-C4' energy: -31.411
flat angles P-C4'-P energy: -18.794
tors. eta vs tors. theta energy: -33.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -357.191585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.191585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.191585 (E_RNA)
where:
Base-Base interactions energy: -228.601
where: short stacking energy: -101.616
Base-Backbone interact. energy: -0.105
local terms energy: -128.485053
where:
bonds (distance) C4'-P energy: -25.156
bonds (distance) P-C4' energy: -29.269
flat angles C4'-P-C4' energy: -30.577
flat angles P-C4'-P energy: -15.899
tors. eta vs tors. theta energy: -27.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -260.647113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.647113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.647113 (E_RNA)
where:
Base-Base interactions energy: -153.699
where: short stacking energy: -80.045
Base-Backbone interact. energy: -0.756
local terms energy: -106.191205
where:
bonds (distance) C4'-P energy: -25.304
bonds (distance) P-C4' energy: -30.611
flat angles C4'-P-C4' energy: -30.911
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -10.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -159.261436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.261436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.261436 (E_RNA)
where:
Base-Base interactions energy: -60.267
where: short stacking energy: -58.191
Base-Backbone interact. energy: 2.327
local terms energy: -101.321904
where:
bonds (distance) C4'-P energy: -28.029
bonds (distance) P-C4' energy: -22.187
flat angles C4'-P-C4' energy: -24.115
flat angles P-C4'-P energy: -19.315
tors. eta vs tors. theta energy: -7.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -141.768733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.768733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.768733 (E_RNA)
where:
Base-Base interactions energy: -57.222
where: short stacking energy: -45.654
Base-Backbone interact. energy: -0.545
local terms energy: -84.001646
where:
bonds (distance) C4'-P energy: -29.466
bonds (distance) P-C4' energy: -22.221
flat angles C4'-P-C4' energy: -20.733
flat angles P-C4'-P energy: -12.663
tors. eta vs tors. theta energy: 1.080
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: 1, replica: 6
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -548.096168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.096168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.096168 (E_RNA)
where:
Base-Base interactions energy: -383.793
where: short stacking energy: -166.058
Base-Backbone interact. energy: -0.133
local terms energy: -164.170414
where:
bonds (distance) C4'-P energy: -29.780
bonds (distance) P-C4' energy: -35.412
flat angles C4'-P-C4' energy: -34.914
flat angles P-C4'-P energy: -17.834
tors. eta vs tors. theta energy: -46.230
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: 10
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -491.417611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.417611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.417611 (E_RNA)
where:
Base-Base interactions energy: -331.444
where: short stacking energy: -146.140
Base-Backbone interact. energy: -2.046
local terms energy: -157.928217
where:
bonds (distance) C4'-P energy: -24.038
bonds (distance) P-C4' energy: -38.617
flat angles C4'-P-C4' energy: -36.461
flat angles P-C4'-P energy: -19.496
tors. eta vs tors. theta energy: -39.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -512.753572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.753572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.753572 (E_RNA)
where:
Base-Base interactions energy: -351.403
where: short stacking energy: -165.209
Base-Backbone interact. energy: -0.830
local terms energy: -160.519993
where:
bonds (distance) C4'-P energy: -22.877
bonds (distance) P-C4' energy: -30.358
flat angles C4'-P-C4' energy: -35.665
flat angles P-C4'-P energy: -22.195
tors. eta vs tors. theta energy: -49.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -471.488298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.488298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.488298 (E_RNA)
where:
Base-Base interactions energy: -313.131
where: short stacking energy: -154.805
Base-Backbone interact. energy: -0.587
local terms energy: -157.770224
where:
bonds (distance) C4'-P energy: -31.307
bonds (distance) P-C4' energy: -26.669
flat angles C4'-P-C4' energy: -34.212
flat angles P-C4'-P energy: -21.089
tors. eta vs tors. theta energy: -44.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -436.794327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.794327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.794327 (E_RNA)
where:
Base-Base interactions energy: -295.128
where: short stacking energy: -128.214
Base-Backbone interact. energy: -0.785
local terms energy: -140.881394
where:
bonds (distance) C4'-P energy: -22.650
bonds (distance) P-C4' energy: -27.824
flat angles C4'-P-C4' energy: -29.618
flat angles P-C4'-P energy: -26.203
tors. eta vs tors. theta energy: -34.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -400.368395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.368395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.368395 (E_RNA)
where:
Base-Base interactions energy: -261.622
where: short stacking energy: -117.508
Base-Backbone interact. energy: -0.320
local terms energy: -138.425496
where:
bonds (distance) C4'-P energy: -34.659
bonds (distance) P-C4' energy: -32.434
flat angles C4'-P-C4' energy: -35.295
flat angles P-C4'-P energy: -6.155
tors. eta vs tors. theta energy: -29.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -333.210889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.210889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.210889 (E_RNA)
where:
Base-Base interactions energy: -219.773
where: short stacking energy: -101.307
Base-Backbone interact. energy: -0.462
local terms energy: -112.975637
where:
bonds (distance) C4'-P energy: -17.530
bonds (distance) P-C4' energy: -28.695
flat angles C4'-P-C4' energy: -25.639
flat angles P-C4'-P energy: -23.845
tors. eta vs tors. theta energy: -17.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -244.038849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.038849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.038849 (E_RNA)
where:
Base-Base interactions energy: -131.529
where: short stacking energy: -83.691
Base-Backbone interact. energy: 1.911
local terms energy: -114.421236
where:
bonds (distance) C4'-P energy: -21.780
bonds (distance) P-C4' energy: -36.644
flat angles C4'-P-C4' energy: -17.233
flat angles P-C4'-P energy: -20.112
tors. eta vs tors. theta energy: -18.652
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: 9
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -165.065915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.065915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.065915 (E_RNA)
where:
Base-Base interactions energy: -66.505
where: short stacking energy: -47.678
Base-Backbone interact. energy: -0.398
local terms energy: -98.162704
where:
bonds (distance) C4'-P energy: -29.527
bonds (distance) P-C4' energy: -30.384
flat angles C4'-P-C4' energy: -25.577
flat angles P-C4'-P energy: -11.590
tors. eta vs tors. theta energy: -1.084
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: 4
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -165.018419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.018419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.018419 (E_RNA)
where:
Base-Base interactions energy: -79.797
where: short stacking energy: -58.669
Base-Backbone interact. energy: -1.174
local terms energy: -84.047765
where:
bonds (distance) C4'-P energy: -22.687
bonds (distance) P-C4' energy: -26.054
flat angles C4'-P-C4' energy: -21.706
flat angles P-C4'-P energy: -15.930
tors. eta vs tors. theta energy: 2.329
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: 6
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -550.003427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.003427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.003427 (E_RNA)
where:
Base-Base interactions energy: -373.592
where: short stacking energy: -163.773
Base-Backbone interact. energy: -1.499
local terms energy: -174.912468
where:
bonds (distance) C4'-P energy: -37.977
bonds (distance) P-C4' energy: -33.042
flat angles C4'-P-C4' energy: -35.661
flat angles P-C4'-P energy: -24.587
tors. eta vs tors. theta energy: -43.646
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: 10
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -504.635292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.635292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.635292 (E_RNA)
where:
Base-Base interactions energy: -338.994
where: short stacking energy: -154.687
Base-Backbone interact. energy: -0.612
local terms energy: -165.029622
where:
bonds (distance) C4'-P energy: -32.409
bonds (distance) P-C4' energy: -33.756
flat angles C4'-P-C4' energy: -34.203
flat angles P-C4'-P energy: -20.342
tors. eta vs tors. theta energy: -44.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -495.285408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.285408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.285408 (E_RNA)
where:
Base-Base interactions energy: -335.249
where: short stacking energy: -156.004
Base-Backbone interact. energy: -0.309
local terms energy: -159.727271
where:
bonds (distance) C4'-P energy: -36.143
bonds (distance) P-C4' energy: -33.523
flat angles C4'-P-C4' energy: -28.169
flat angles P-C4'-P energy: -20.072
tors. eta vs tors. theta energy: -41.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -455.286421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.286421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.286421 (E_RNA)
where:
Base-Base interactions energy: -289.213
where: short stacking energy: -138.344
Base-Backbone interact. energy: -0.478
local terms energy: -165.594723
where:
bonds (distance) C4'-P energy: -29.478
bonds (distance) P-C4' energy: -29.331
flat angles C4'-P-C4' energy: -38.060
flat angles P-C4'-P energy: -26.001
tors. eta vs tors. theta energy: -42.725
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: 5, replica: 7
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -409.379419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.379419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.379419 (E_RNA)
where:
Base-Base interactions energy: -268.993
where: short stacking energy: -123.410
Base-Backbone interact. energy: -0.128
local terms energy: -140.258199
where:
bonds (distance) C4'-P energy: -26.709
bonds (distance) P-C4' energy: -32.438
flat angles C4'-P-C4' energy: -25.675
flat angles P-C4'-P energy: -18.889
tors. eta vs tors. theta energy: -36.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -405.255916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.255916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.255916 (E_RNA)
where:
Base-Base interactions energy: -257.878
where: short stacking energy: -125.998
Base-Backbone interact. energy: -1.087
local terms energy: -146.290502
where:
bonds (distance) C4'-P energy: -28.631
bonds (distance) P-C4' energy: -27.177
flat angles C4'-P-C4' energy: -30.995
flat angles P-C4'-P energy: -21.723
tors. eta vs tors. theta energy: -37.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -332.501314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.501314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.501314 (E_RNA)
where:
Base-Base interactions energy: -210.568
where: short stacking energy: -103.956
Base-Backbone interact. energy: -0.847
local terms energy: -121.085643
where:
bonds (distance) C4'-P energy: -33.125
bonds (distance) P-C4' energy: -25.434
flat angles C4'-P-C4' energy: -28.078
flat angles P-C4'-P energy: -14.079
tors. eta vs tors. theta energy: -20.369
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: 8
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -244.169526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.169526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.169526 (E_RNA)
where:
Base-Base interactions energy: -133.835
where: short stacking energy: -69.839
Base-Backbone interact. energy: -1.421
local terms energy: -108.912803
where:
bonds (distance) C4'-P energy: -28.494
bonds (distance) P-C4' energy: -29.019
flat angles C4'-P-C4' energy: -21.819
flat angles P-C4'-P energy: -20.510
tors. eta vs tors. theta energy: -9.070
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: 290
Temperature: 1.300000
Total energy: -182.338371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.338371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.338371 (E_RNA)
where:
Base-Base interactions energy: -90.716
where: short stacking energy: -60.951
Base-Backbone interact. energy: 1.731
local terms energy: -93.353846
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -36.160
flat angles C4'-P-C4' energy: -26.113
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -2.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -138.491027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.491027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.491027 (E_RNA)
where:
Base-Base interactions energy: -40.089
where: short stacking energy: -40.089
Base-Backbone interact. energy: -0.003
local terms energy: -98.398957
where:
bonds (distance) C4'-P energy: -33.190
bonds (distance) P-C4' energy: -32.863
flat angles C4'-P-C4' energy: -24.970
flat angles P-C4'-P energy: -13.337
tors. eta vs tors. theta energy: 5.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -550.970151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.970151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.970151 (E_RNA)
where:
Base-Base interactions energy: -380.619
where: short stacking energy: -177.215
Base-Backbone interact. energy: -0.420
local terms energy: -169.930842
where:
bonds (distance) C4'-P energy: -30.188
bonds (distance) P-C4' energy: -31.764
flat angles C4'-P-C4' energy: -33.461
flat angles P-C4'-P energy: -24.789
tors. eta vs tors. theta energy: -49.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -513.493963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.493963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.493963 (E_RNA)
where:
Base-Base interactions energy: -354.071
where: short stacking energy: -155.744
Base-Backbone interact. energy: -0.044
local terms energy: -159.379614
where:
bonds (distance) C4'-P energy: -22.910
bonds (distance) P-C4' energy: -30.629
flat angles C4'-P-C4' energy: -38.056
flat angles P-C4'-P energy: -24.868
tors. eta vs tors. theta energy: -42.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -506.481905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.481905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.481905 (E_RNA)
where:
Base-Base interactions energy: -340.384
where: short stacking energy: -152.976
Base-Backbone interact. energy: 2.118
local terms energy: -168.215498
where:
bonds (distance) C4'-P energy: -36.781
bonds (distance) P-C4' energy: -33.055
flat angles C4'-P-C4' energy: -32.529
flat angles P-C4'-P energy: -27.173
tors. eta vs tors. theta energy: -38.677
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: 1
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -444.821096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.821096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.821096 (E_RNA)
where:
Base-Base interactions energy: -291.666
where: short stacking energy: -148.223
Base-Backbone interact. energy: -0.021
local terms energy: -153.134874
where:
bonds (distance) C4'-P energy: -32.124
bonds (distance) P-C4' energy: -23.159
flat angles C4'-P-C4' energy: -33.222
flat angles P-C4'-P energy: -19.867
tors. eta vs tors. theta energy: -44.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -439.542962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.542962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.542962 (E_RNA)
where:
Base-Base interactions energy: -285.957
where: short stacking energy: -122.185
Base-Backbone interact. energy: -0.600
local terms energy: -152.986079
where:
bonds (distance) C4'-P energy: -25.637
bonds (distance) P-C4' energy: -35.741
flat angles C4'-P-C4' energy: -28.748
flat angles P-C4'-P energy: -26.727
tors. eta vs tors. theta energy: -36.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -422.361617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.361617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.361617 (E_RNA)
where:
Base-Base interactions energy: -281.346
where: short stacking energy: -132.432
Base-Backbone interact. energy: 1.090
local terms energy: -142.105839
where:
bonds (distance) C4'-P energy: -30.690
bonds (distance) P-C4' energy: -33.803
flat angles C4'-P-C4' energy: -31.188
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -36.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -343.562757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.562757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.562757 (E_RNA)
where:
Base-Base interactions energy: -208.318
where: short stacking energy: -106.304
Base-Backbone interact. energy: 0.171
local terms energy: -135.415869
where:
bonds (distance) C4'-P energy: -28.795
bonds (distance) P-C4' energy: -32.567
flat angles C4'-P-C4' energy: -31.141
flat angles P-C4'-P energy: -15.650
tors. eta vs tors. theta energy: -27.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -239.016327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.016327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.016327 (E_RNA)
where:
Base-Base interactions energy: -118.345
where: short stacking energy: -72.390
Base-Backbone interact. energy: -0.041
local terms energy: -120.629877
where:
bonds (distance) C4'-P energy: -29.531
bonds (distance) P-C4' energy: -24.836
flat angles C4'-P-C4' energy: -31.737
flat angles P-C4'-P energy: -22.974
tors. eta vs tors. theta energy: -11.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -150.217883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.217883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.217883 (E_RNA)
where:
Base-Base interactions energy: -41.030
where: short stacking energy: -36.023
Base-Backbone interact. energy: -0.511
local terms energy: -108.676393
where:
bonds (distance) C4'-P energy: -31.803
bonds (distance) P-C4' energy: -28.224
flat angles C4'-P-C4' energy: -24.208
flat angles P-C4'-P energy: -20.082
tors. eta vs tors. theta energy: -4.359
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: 4
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -146.197330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.197330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.197330 (E_RNA)
where:
Base-Base interactions energy: -49.081
where: short stacking energy: -47.988
Base-Backbone interact. energy: 0.478
local terms energy: -97.594875
where:
bonds (distance) C4'-P energy: -25.540
bonds (distance) P-C4' energy: -24.689
flat angles C4'-P-C4' energy: -24.787
flat angles P-C4'-P energy: -16.030
tors. eta vs tors. theta energy: -6.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -553.248754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.248754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.248754 (E_RNA)
where:
Base-Base interactions energy: -366.898
where: short stacking energy: -168.561
Base-Backbone interact. energy: -0.319
local terms energy: -186.031818
where:
bonds (distance) C4'-P energy: -34.629
bonds (distance) P-C4' energy: -37.884
flat angles C4'-P-C4' energy: -37.130
flat angles P-C4'-P energy: -25.215
tors. eta vs tors. theta energy: -51.173
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: 10
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -497.977729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.977729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.977729 (E_RNA)
where:
Base-Base interactions energy: -338.144
where: short stacking energy: -144.546
Base-Backbone interact. energy: -0.014
local terms energy: -159.819754
where:
bonds (distance) C4'-P energy: -31.354
bonds (distance) P-C4' energy: -34.992
flat angles C4'-P-C4' energy: -33.035
flat angles P-C4'-P energy: -23.368
tors. eta vs tors. theta energy: -37.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -514.949098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.949098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.949098 (E_RNA)
where:
Base-Base interactions energy: -356.500
where: short stacking energy: -160.459
Base-Backbone interact. energy: -0.100
local terms energy: -158.348695
where:
bonds (distance) C4'-P energy: -28.242
bonds (distance) P-C4' energy: -29.476
flat angles C4'-P-C4' energy: -36.101
flat angles P-C4'-P energy: -21.478
tors. eta vs tors. theta energy: -43.051
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: 1
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -447.055036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.055036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.055036 (E_RNA)
where:
Base-Base interactions energy: -288.395
where: short stacking energy: -141.105
Base-Backbone interact. energy: 0.383
local terms energy: -159.043518
where:
bonds (distance) C4'-P energy: -32.285
bonds (distance) P-C4' energy: -31.325
flat angles C4'-P-C4' energy: -33.676
flat angles P-C4'-P energy: -18.358
tors. eta vs tors. theta energy: -43.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -430.710265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.710265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.710265 (E_RNA)
where:
Base-Base interactions energy: -280.229
where: short stacking energy: -122.632
Base-Backbone interact. energy: -1.282
local terms energy: -149.198413
where:
bonds (distance) C4'-P energy: -28.588
bonds (distance) P-C4' energy: -31.756
flat angles C4'-P-C4' energy: -33.391
flat angles P-C4'-P energy: -21.900
tors. eta vs tors. theta energy: -33.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -424.874753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.874753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.874753 (E_RNA)
where:
Base-Base interactions energy: -277.956
where: short stacking energy: -114.102
Base-Backbone interact. energy: -0.642
local terms energy: -146.276328
where:
bonds (distance) C4'-P energy: -26.459
bonds (distance) P-C4' energy: -30.242
flat angles C4'-P-C4' energy: -33.801
flat angles P-C4'-P energy: -22.533
tors. eta vs tors. theta energy: -33.242
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: 5
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -337.403715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.403715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.403715 (E_RNA)
where:
Base-Base interactions energy: -208.465
where: short stacking energy: -112.262
Base-Backbone interact. energy: -0.877
local terms energy: -128.061113
where:
bonds (distance) C4'-P energy: -35.020
bonds (distance) P-C4' energy: -24.818
flat angles C4'-P-C4' energy: -24.797
flat angles P-C4'-P energy: -22.753
tors. eta vs tors. theta energy: -20.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -250.760377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.760377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.760377 (E_RNA)
where:
Base-Base interactions energy: -138.129
where: short stacking energy: -71.501
Base-Backbone interact. energy: -0.940
local terms energy: -111.691832
where:
bonds (distance) C4'-P energy: -27.615
bonds (distance) P-C4' energy: -25.502
flat angles C4'-P-C4' energy: -27.927
flat angles P-C4'-P energy: -19.959
tors. eta vs tors. theta energy: -10.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -165.868094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.868094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.868094 (E_RNA)
where:
Base-Base interactions energy: -84.654
where: short stacking energy: -65.810
Base-Backbone interact. energy: -0.510
local terms energy: -80.703984
where:
bonds (distance) C4'-P energy: -22.485
bonds (distance) P-C4' energy: -23.751
flat angles C4'-P-C4' energy: -17.814
flat angles P-C4'-P energy: -9.729
tors. eta vs tors. theta energy: -6.925
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: 292
Temperature: 1.350000
Total energy: -185.341428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.341428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.341428 (E_RNA)
where:
Base-Base interactions energy: -94.183
where: short stacking energy: -59.154
Base-Backbone interact. energy: -0.691
local terms energy: -90.467485
where:
bonds (distance) C4'-P energy: -30.233
bonds (distance) P-C4' energy: -30.904
flat angles C4'-P-C4' energy: -20.014
flat angles P-C4'-P energy: -13.828
tors. eta vs tors. theta energy: 4.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -543.126594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.126594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.126594 (E_RNA)
where:
Base-Base interactions energy: -385.441
where: short stacking energy: -163.760
Base-Backbone interact. energy: -0.593
local terms energy: -157.093220
where:
bonds (distance) C4'-P energy: -28.746
bonds (distance) P-C4' energy: -28.096
flat angles C4'-P-C4' energy: -32.902
flat angles P-C4'-P energy: -24.291
tors. eta vs tors. theta energy: -43.059
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: 2
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -526.829999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.829999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.829999 (E_RNA)
where:
Base-Base interactions energy: -355.475
where: short stacking energy: -161.242
Base-Backbone interact. energy: -0.128
local terms energy: -171.227296
where:
bonds (distance) C4'-P energy: -32.743
bonds (distance) P-C4' energy: -33.570
flat angles C4'-P-C4' energy: -34.169
flat angles P-C4'-P energy: -23.506
tors. eta vs tors. theta energy: -47.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -475.928405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.928405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.928405 (E_RNA)
where:
Base-Base interactions energy: -322.809
where: short stacking energy: -131.483
Base-Backbone interact. energy: -1.854
local terms energy: -151.265032
where:
bonds (distance) C4'-P energy: -31.751
bonds (distance) P-C4' energy: -33.148
flat angles C4'-P-C4' energy: -28.071
flat angles P-C4'-P energy: -22.579
tors. eta vs tors. theta energy: -35.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -438.492636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.492636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.492636 (E_RNA)
where:
Base-Base interactions energy: -292.603
where: short stacking energy: -133.684
Base-Backbone interact. energy: -1.086
local terms energy: -144.804213
where:
bonds (distance) C4'-P energy: -28.112
bonds (distance) P-C4' energy: -21.451
flat angles C4'-P-C4' energy: -29.372
flat angles P-C4'-P energy: -22.167
tors. eta vs tors. theta energy: -43.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -419.081226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.081226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.081226 (E_RNA)
where:
Base-Base interactions energy: -268.119
where: short stacking energy: -111.962
Base-Backbone interact. energy: -1.725
local terms energy: -149.237927
where:
bonds (distance) C4'-P energy: -30.540
bonds (distance) P-C4' energy: -32.725
flat angles C4'-P-C4' energy: -29.395
flat angles P-C4'-P energy: -22.915
tors. eta vs tors. theta energy: -33.663
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: 6, replica: 7
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -426.116967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.116967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.116967 (E_RNA)
where:
Base-Base interactions energy: -286.509
where: short stacking energy: -131.631
Base-Backbone interact. energy: -0.690
local terms energy: -138.918077
where:
bonds (distance) C4'-P energy: -19.323
bonds (distance) P-C4' energy: -30.295
flat angles C4'-P-C4' energy: -28.528
flat angles P-C4'-P energy: -21.655
tors. eta vs tors. theta energy: -39.118
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: 5
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -331.730790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.730790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.730790 (E_RNA)
where:
Base-Base interactions energy: -212.592
where: short stacking energy: -115.714
Base-Backbone interact. energy: -0.218
local terms energy: -118.920470
where:
bonds (distance) C4'-P energy: -24.780
bonds (distance) P-C4' energy: -27.091
flat angles C4'-P-C4' energy: -26.999
flat angles P-C4'-P energy: -17.397
tors. eta vs tors. theta energy: -22.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -283.825531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.825531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.825531 (E_RNA)
where:
Base-Base interactions energy: -156.509
where: short stacking energy: -78.301
Base-Backbone interact. energy: -0.294
local terms energy: -127.023135
where:
bonds (distance) C4'-P energy: -32.595
bonds (distance) P-C4' energy: -34.373
flat angles C4'-P-C4' energy: -28.971
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -19.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -175.403825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.403825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.403825 (E_RNA)
where:
Base-Base interactions energy: -76.130
where: short stacking energy: -57.649
Base-Backbone interact. energy: -0.667
local terms energy: -98.607719
where:
bonds (distance) C4'-P energy: -19.194
bonds (distance) P-C4' energy: -28.663
flat angles C4'-P-C4' energy: -30.849
flat angles P-C4'-P energy: -18.004
tors. eta vs tors. theta energy: -1.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -164.382581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.382581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.382581 (E_RNA)
where:
Base-Base interactions energy: -80.332
where: short stacking energy: -71.284
Base-Backbone interact. energy: 0.007
local terms energy: -84.057811
where:
bonds (distance) C4'-P energy: -24.874
bonds (distance) P-C4' energy: -22.097
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -11.956
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: 6
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -538.641407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.641407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.641407 (E_RNA)
where:
Base-Base interactions energy: -365.760
where: short stacking energy: -163.958
Base-Backbone interact. energy: -0.881
local terms energy: -172.000453
where:
bonds (distance) C4'-P energy: -27.477
bonds (distance) P-C4' energy: -27.570
flat angles C4'-P-C4' energy: -38.596
flat angles P-C4'-P energy: -28.236
tors. eta vs tors. theta energy: -50.121
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: 2
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -519.777463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.777463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.777463 (E_RNA)
where:
Base-Base interactions energy: -353.909
where: short stacking energy: -161.348
Base-Backbone interact. energy: 0.350
local terms energy: -166.218580
where:
bonds (distance) C4'-P energy: -34.002
bonds (distance) P-C4' energy: -25.830
flat angles C4'-P-C4' energy: -35.999
flat angles P-C4'-P energy: -21.397
tors. eta vs tors. theta energy: -48.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -484.883080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.883080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.883080 (E_RNA)
where:
Base-Base interactions energy: -313.344
where: short stacking energy: -142.024
Base-Backbone interact. energy: 1.765
local terms energy: -173.303624
where:
bonds (distance) C4'-P energy: -32.628
bonds (distance) P-C4' energy: -32.248
flat angles C4'-P-C4' energy: -36.545
flat angles P-C4'-P energy: -29.169
tors. eta vs tors. theta energy: -42.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -434.782073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.782073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.782073 (E_RNA)
where:
Base-Base interactions energy: -282.350
where: short stacking energy: -134.757
Base-Backbone interact. energy: -2.684
local terms energy: -149.748428
where:
bonds (distance) C4'-P energy: -27.477
bonds (distance) P-C4' energy: -31.195
flat angles C4'-P-C4' energy: -33.997
flat angles P-C4'-P energy: -22.594
tors. eta vs tors. theta energy: -34.485
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: 3
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -439.856436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.856436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.856436 (E_RNA)
where:
Base-Base interactions energy: -288.115
where: short stacking energy: -131.897
Base-Backbone interact. energy: -0.608
local terms energy: -151.133425
where:
bonds (distance) C4'-P energy: -32.072
bonds (distance) P-C4' energy: -31.087
flat angles C4'-P-C4' energy: -31.086
flat angles P-C4'-P energy: -16.458
tors. eta vs tors. theta energy: -40.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -421.965401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.965401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.965401 (E_RNA)
where:
Base-Base interactions energy: -274.739
where: short stacking energy: -130.791
Base-Backbone interact. energy: -0.761
local terms energy: -146.464698
where:
bonds (distance) C4'-P energy: -27.000
bonds (distance) P-C4' energy: -24.481
flat angles C4'-P-C4' energy: -38.953
flat angles P-C4'-P energy: -18.545
tors. eta vs tors. theta energy: -37.485
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: 294
Temperature: 1.200000
Total energy: -323.211456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.211456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.211456 (E_RNA)
where:
Base-Base interactions energy: -187.963
where: short stacking energy: -108.629
Base-Backbone interact. energy: -0.111
local terms energy: -135.137458
where:
bonds (distance) C4'-P energy: -24.594
bonds (distance) P-C4' energy: -30.858
flat angles C4'-P-C4' energy: -28.145
flat angles P-C4'-P energy: -24.027
tors. eta vs tors. theta energy: -27.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -298.035478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.035478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.035478 (E_RNA)
where:
Base-Base interactions energy: -195.718
where: short stacking energy: -98.558
Base-Backbone interact. energy: 0.177
local terms energy: -102.494747
where:
bonds (distance) C4'-P energy: -23.222
bonds (distance) P-C4' energy: -23.072
flat angles C4'-P-C4' energy: -22.533
flat angles P-C4'-P energy: -17.576
tors. eta vs tors. theta energy: -16.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -160.643065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.643065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.643065 (E_RNA)
where:
Base-Base interactions energy: -62.980
where: short stacking energy: -55.854
Base-Backbone interact. energy: -0.226
local terms energy: -97.437056
where:
bonds (distance) C4'-P energy: -26.384
bonds (distance) P-C4' energy: -28.919
flat angles C4'-P-C4' energy: -29.080
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -4.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -146.485704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.485704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.485704 (E_RNA)
where:
Base-Base interactions energy: -42.898
where: short stacking energy: -42.898
Base-Backbone interact. energy: -0.432
local terms energy: -103.156143
where:
bonds (distance) C4'-P energy: -35.810
bonds (distance) P-C4' energy: -25.381
flat angles C4'-P-C4' energy: -32.495
flat angles P-C4'-P energy: -11.836
tors. eta vs tors. theta energy: 2.367
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: 6
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -551.474705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.474705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.474705 (E_RNA)
where:
Base-Base interactions energy: -367.001
where: short stacking energy: -166.838
Base-Backbone interact. energy: -0.213
local terms energy: -184.260346
where:
bonds (distance) C4'-P energy: -34.324
bonds (distance) P-C4' energy: -34.020
flat angles C4'-P-C4' energy: -38.373
flat angles P-C4'-P energy: -28.592
tors. eta vs tors. theta energy: -48.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -507.594232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.594232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.594232 (E_RNA)
where:
Base-Base interactions energy: -341.100
where: short stacking energy: -157.608
Base-Backbone interact. energy: -0.685
local terms energy: -165.810166
where:
bonds (distance) C4'-P energy: -31.875
bonds (distance) P-C4' energy: -31.264
flat angles C4'-P-C4' energy: -35.009
flat angles P-C4'-P energy: -23.590
tors. eta vs tors. theta energy: -44.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -499.996579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.996579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.996579 (E_RNA)
where:
Base-Base interactions energy: -333.587
where: short stacking energy: -164.259
Base-Backbone interact. energy: -0.038
local terms energy: -166.371890
where:
bonds (distance) C4'-P energy: -23.799
bonds (distance) P-C4' energy: -31.843
flat angles C4'-P-C4' energy: -38.034
flat angles P-C4'-P energy: -22.622
tors. eta vs tors. theta energy: -50.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -435.122790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.122790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.122790 (E_RNA)
where:
Base-Base interactions energy: -285.961
where: short stacking energy: -130.794
Base-Backbone interact. energy: -2.021
local terms energy: -147.140927
where:
bonds (distance) C4'-P energy: -27.738
bonds (distance) P-C4' energy: -28.305
flat angles C4'-P-C4' energy: -28.182
flat angles P-C4'-P energy: -22.572
tors. eta vs tors. theta energy: -40.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -432.087792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.087792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.087792 (E_RNA)
where:
Base-Base interactions energy: -279.649
where: short stacking energy: -134.170
Base-Backbone interact. energy: -1.690
local terms energy: -150.748117
where:
bonds (distance) C4'-P energy: -32.891
bonds (distance) P-C4' energy: -27.660
flat angles C4'-P-C4' energy: -27.977
flat angles P-C4'-P energy: -21.781
tors. eta vs tors. theta energy: -40.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -410.518426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.518426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.518426 (E_RNA)
where:
Base-Base interactions energy: -283.221
where: short stacking energy: -124.749
Base-Backbone interact. energy: -1.100
local terms energy: -126.197715
where:
bonds (distance) C4'-P energy: -28.896
bonds (distance) P-C4' energy: -27.686
flat angles C4'-P-C4' energy: -30.458
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -30.220
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: 8
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -336.784249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.784249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.784249 (E_RNA)
where:
Base-Base interactions energy: -207.497
where: short stacking energy: -107.184
Base-Backbone interact. energy: -0.855
local terms energy: -128.432338
where:
bonds (distance) C4'-P energy: -27.463
bonds (distance) P-C4' energy: -27.735
flat angles C4'-P-C4' energy: -29.201
flat angles P-C4'-P energy: -17.724
tors. eta vs tors. theta energy: -26.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -323.118273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.118273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.118273 (E_RNA)
where:
Base-Base interactions energy: -193.450
where: short stacking energy: -110.101
Base-Backbone interact. energy: -0.089
local terms energy: -129.579043
where:
bonds (distance) C4'-P energy: -33.395
bonds (distance) P-C4' energy: -28.071
flat angles C4'-P-C4' energy: -29.339
flat angles P-C4'-P energy: -13.919
tors. eta vs tors. theta energy: -24.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -151.865435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.865435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.865435 (E_RNA)
where:
Base-Base interactions energy: -42.438
where: short stacking energy: -38.176
Base-Backbone interact. energy: -0.253
local terms energy: -109.174438
where:
bonds (distance) C4'-P energy: -29.205
bonds (distance) P-C4' energy: -35.142
flat angles C4'-P-C4' energy: -31.737
flat angles P-C4'-P energy: -21.683
tors. eta vs tors. theta energy: 8.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -153.632540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.632540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.632540 (E_RNA)
where:
Base-Base interactions energy: -49.084
where: short stacking energy: -46.572
Base-Backbone interact. energy: -0.313
local terms energy: -104.235348
where:
bonds (distance) C4'-P energy: -25.850
bonds (distance) P-C4' energy: -28.325
flat angles C4'-P-C4' energy: -26.077
flat angles P-C4'-P energy: -15.667
tors. eta vs tors. theta energy: -8.317
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: 6
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -553.751003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.751003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.751003 (E_RNA)
where:
Base-Base interactions energy: -375.787
where: short stacking energy: -165.880
Base-Backbone interact. energy: -0.142
local terms energy: -177.822798
where:
bonds (distance) C4'-P energy: -35.099
bonds (distance) P-C4' energy: -32.400
flat angles C4'-P-C4' energy: -38.076
flat angles P-C4'-P energy: -20.279
tors. eta vs tors. theta energy: -51.969
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: 296
Temperature: 0.950000
Total energy: -518.299906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.299906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.299906 (E_RNA)
where:
Base-Base interactions energy: -350.702
where: short stacking energy: -139.331
Base-Backbone interact. energy: -0.491
local terms energy: -167.106747
where:
bonds (distance) C4'-P energy: -31.768
bonds (distance) P-C4' energy: -34.258
flat angles C4'-P-C4' energy: -35.718
flat angles P-C4'-P energy: -25.297
tors. eta vs tors. theta energy: -40.067
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: 2
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -500.480335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.480335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.480335 (E_RNA)
where:
Base-Base interactions energy: -344.262
where: short stacking energy: -152.616
Base-Backbone interact. energy: -0.718
local terms energy: -155.500542
where:
bonds (distance) C4'-P energy: -28.723
bonds (distance) P-C4' energy: -27.493
flat angles C4'-P-C4' energy: -34.034
flat angles P-C4'-P energy: -20.081
tors. eta vs tors. theta energy: -45.169
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: 1
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -466.917251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.917251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.917251 (E_RNA)
where:
Base-Base interactions energy: -302.496
where: short stacking energy: -144.832
Base-Backbone interact. energy: -0.799
local terms energy: -163.621780
where:
bonds (distance) C4'-P energy: -30.580
bonds (distance) P-C4' energy: -29.428
flat angles C4'-P-C4' energy: -34.589
flat angles P-C4'-P energy: -26.748
tors. eta vs tors. theta energy: -42.277
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: 296
Temperature: 1.100000
Total energy: -428.717227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.717227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.717227 (E_RNA)
where:
Base-Base interactions energy: -275.506
where: short stacking energy: -126.865
Base-Backbone interact. energy: -0.279
local terms energy: -152.932672
where:
bonds (distance) C4'-P energy: -35.691
bonds (distance) P-C4' energy: -36.202
flat angles C4'-P-C4' energy: -30.137
flat angles P-C4'-P energy: -13.924
tors. eta vs tors. theta energy: -36.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -402.469394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.469394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.469394 (E_RNA)
where:
Base-Base interactions energy: -265.007
where: short stacking energy: -120.787
Base-Backbone interact. energy: -1.574
local terms energy: -135.888321
where:
bonds (distance) C4'-P energy: -29.512
bonds (distance) P-C4' energy: -29.541
flat angles C4'-P-C4' energy: -29.057
flat angles P-C4'-P energy: -16.909
tors. eta vs tors. theta energy: -30.868
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: 8
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -315.393689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.393689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.393689 (E_RNA)
where:
Base-Base interactions energy: -203.870
where: short stacking energy: -105.949
Base-Backbone interact. energy: -1.077
local terms energy: -110.447293
where:
bonds (distance) C4'-P energy: -25.366
bonds (distance) P-C4' energy: -19.486
flat angles C4'-P-C4' energy: -28.384
flat angles P-C4'-P energy: -14.902
tors. eta vs tors. theta energy: -22.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -319.065646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.065646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.065646 (E_RNA)
where:
Base-Base interactions energy: -193.320
where: short stacking energy: -89.397
Base-Backbone interact. energy: 0.275
local terms energy: -126.021325
where:
bonds (distance) C4'-P energy: -24.042
bonds (distance) P-C4' energy: -28.425
flat angles C4'-P-C4' energy: -31.463
flat angles P-C4'-P energy: -21.901
tors. eta vs tors. theta energy: -20.191
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: 4
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -170.068686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.068686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.068686 (E_RNA)
where:
Base-Base interactions energy: -60.205
where: short stacking energy: -58.489
Base-Backbone interact. energy: 0.108
local terms energy: -109.972110
where:
bonds (distance) C4'-P energy: -29.719
bonds (distance) P-C4' energy: -30.555
flat angles C4'-P-C4' energy: -24.370
flat angles P-C4'-P energy: -20.538
tors. eta vs tors. theta energy: -4.790
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: 9
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -159.721270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.721270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.721270 (E_RNA)
where:
Base-Base interactions energy: -66.670
where: short stacking energy: -57.777
Base-Backbone interact. energy: 0.016
local terms energy: -93.066615
where:
bonds (distance) C4'-P energy: -23.000
bonds (distance) P-C4' energy: -29.230
flat angles C4'-P-C4' energy: -22.738
flat angles P-C4'-P energy: -13.557
tors. eta vs tors. theta energy: -4.541
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: 6
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -541.850563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.850563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.850563 (E_RNA)
where:
Base-Base interactions energy: -380.014
where: short stacking energy: -169.419
Base-Backbone interact. energy: -0.860
local terms energy: -160.977155
where:
bonds (distance) C4'-P energy: -30.951
bonds (distance) P-C4' energy: -19.821
flat angles C4'-P-C4' energy: -41.717
flat angles P-C4'-P energy: -21.773
tors. eta vs tors. theta energy: -46.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -518.551735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.551735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.551735 (E_RNA)
where:
Base-Base interactions energy: -348.095
where: short stacking energy: -155.188
Base-Backbone interact. energy: -0.844
local terms energy: -169.612911
where:
bonds (distance) C4'-P energy: -31.260
bonds (distance) P-C4' energy: -35.848
flat angles C4'-P-C4' energy: -35.144
flat angles P-C4'-P energy: -20.785
tors. eta vs tors. theta energy: -46.576
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: 2
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -524.836373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.836373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.836373 (E_RNA)
where:
Base-Base interactions energy: -354.619
where: short stacking energy: -163.633
Base-Backbone interact. energy: -1.061
local terms energy: -169.157336
where:
bonds (distance) C4'-P energy: -25.660
bonds (distance) P-C4' energy: -29.585
flat angles C4'-P-C4' energy: -36.230
flat angles P-C4'-P energy: -24.801
tors. eta vs tors. theta energy: -52.881
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: 4, replica: 7
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -445.826408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.826408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.826408 (E_RNA)
where:
Base-Base interactions energy: -301.405
where: short stacking energy: -150.579
Base-Backbone interact. energy: 0.861
local terms energy: -145.282585
where:
bonds (distance) C4'-P energy: -25.813
bonds (distance) P-C4' energy: -26.466
flat angles C4'-P-C4' energy: -33.735
flat angles P-C4'-P energy: -16.319
tors. eta vs tors. theta energy: -42.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -408.016148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.016148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.016148 (E_RNA)
where:
Base-Base interactions energy: -263.081
where: short stacking energy: -123.561
Base-Backbone interact. energy: -0.716
local terms energy: -144.218813
where:
bonds (distance) C4'-P energy: -35.228
bonds (distance) P-C4' energy: -25.146
flat angles C4'-P-C4' energy: -29.635
flat angles P-C4'-P energy: -20.791
tors. eta vs tors. theta energy: -33.419
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: 3
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -421.007287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.007287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.007287 (E_RNA)
where:
Base-Base interactions energy: -267.754
where: short stacking energy: -129.319
Base-Backbone interact. energy: -1.455
local terms energy: -151.797923
where:
bonds (distance) C4'-P energy: -24.798
bonds (distance) P-C4' energy: -32.721
flat angles C4'-P-C4' energy: -30.541
flat angles P-C4'-P energy: -21.090
tors. eta vs tors. theta energy: -42.649
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: 8
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -334.929928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.929928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.929928 (E_RNA)
where:
Base-Base interactions energy: -222.323
where: short stacking energy: -106.923
Base-Backbone interact. energy: -1.035
local terms energy: -111.572255
where:
bonds (distance) C4'-P energy: -19.463
bonds (distance) P-C4' energy: -28.502
flat angles C4'-P-C4' energy: -24.430
flat angles P-C4'-P energy: -20.822
tors. eta vs tors. theta energy: -18.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -336.750438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.750438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.750438 (E_RNA)
where:
Base-Base interactions energy: -214.495
where: short stacking energy: -109.031
Base-Backbone interact. energy: -0.916
local terms energy: -121.339198
where:
bonds (distance) C4'-P energy: -22.133
bonds (distance) P-C4' energy: -26.619
flat angles C4'-P-C4' energy: -27.016
flat angles P-C4'-P energy: -20.164
tors. eta vs tors. theta energy: -25.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -162.095395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.095395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.095395 (E_RNA)
where:
Base-Base interactions energy: -57.466
where: short stacking energy: -40.983
Base-Backbone interact. energy: 0.778
local terms energy: -105.407180
where:
bonds (distance) C4'-P energy: -28.242
bonds (distance) P-C4' energy: -33.157
flat angles C4'-P-C4' energy: -28.257
flat angles P-C4'-P energy: -17.806
tors. eta vs tors. theta energy: 2.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -160.057733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.057733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.057733 (E_RNA)
where:
Base-Base interactions energy: -63.450
where: short stacking energy: -52.938
Base-Backbone interact. energy: -0.044
local terms energy: -96.563109
where:
bonds (distance) C4'-P energy: -27.178
bonds (distance) P-C4' energy: -28.300
flat angles C4'-P-C4' energy: -17.720
flat angles P-C4'-P energy: -17.745
tors. eta vs tors. theta energy: -5.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -551.456644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.456644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.456644 (E_RNA)
where:
Base-Base interactions energy: -370.556
where: short stacking energy: -156.296
Base-Backbone interact. energy: -0.743
local terms energy: -180.156937
where:
bonds (distance) C4'-P energy: -32.517
bonds (distance) P-C4' energy: -36.298
flat angles C4'-P-C4' energy: -41.424
flat angles P-C4'-P energy: -22.974
tors. eta vs tors. theta energy: -46.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -514.823316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.823316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.823316 (E_RNA)
where:
Base-Base interactions energy: -356.721
where: short stacking energy: -154.035
Base-Backbone interact. energy: -1.656
local terms energy: -156.445986
where:
bonds (distance) C4'-P energy: -31.840
bonds (distance) P-C4' energy: -31.016
flat angles C4'-P-C4' energy: -34.306
flat angles P-C4'-P energy: -14.025
tors. eta vs tors. theta energy: -45.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -514.219026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.219026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.219026 (E_RNA)
where:
Base-Base interactions energy: -354.985
where: short stacking energy: -148.418
Base-Backbone interact. energy: -2.005
local terms energy: -157.228606
where:
bonds (distance) C4'-P energy: -34.855
bonds (distance) P-C4' energy: -26.431
flat angles C4'-P-C4' energy: -27.850
flat angles P-C4'-P energy: -17.531
tors. eta vs tors. theta energy: -50.561
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: 4, replica: 7
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -436.744229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.744229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.744229 (E_RNA)
where:
Base-Base interactions energy: -283.977
where: short stacking energy: -138.749
Base-Backbone interact. energy: -1.429
local terms energy: -151.338034
where:
bonds (distance) C4'-P energy: -30.160
bonds (distance) P-C4' energy: -27.732
flat angles C4'-P-C4' energy: -34.023
flat angles P-C4'-P energy: -17.742
tors. eta vs tors. theta energy: -41.681
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: 3
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -438.621783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.621783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.621783 (E_RNA)
where:
Base-Base interactions energy: -288.303
where: short stacking energy: -129.144
Base-Backbone interact. energy: -0.856
local terms energy: -149.462467
where:
bonds (distance) C4'-P energy: -28.294
bonds (distance) P-C4' energy: -30.073
flat angles C4'-P-C4' energy: -31.854
flat angles P-C4'-P energy: -17.638
tors. eta vs tors. theta energy: -41.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -430.850594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.850594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.850594 (E_RNA)
where:
Base-Base interactions energy: -270.308
where: short stacking energy: -125.234
Base-Backbone interact. energy: -2.149
local terms energy: -158.393927
where:
bonds (distance) C4'-P energy: -25.425
bonds (distance) P-C4' energy: -34.788
flat angles C4'-P-C4' energy: -34.396
flat angles P-C4'-P energy: -27.011
tors. eta vs tors. theta energy: -36.775
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: 5
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -327.791127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.791127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.791127 (E_RNA)
where:
Base-Base interactions energy: -191.480
where: short stacking energy: -100.073
Base-Backbone interact. energy: 0.064
local terms energy: -136.375115
where:
bonds (distance) C4'-P energy: -27.514
bonds (distance) P-C4' energy: -31.416
flat angles C4'-P-C4' energy: -36.297
flat angles P-C4'-P energy: -18.935
tors. eta vs tors. theta energy: -22.213
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: 8
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -313.747441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.747441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.747441 (E_RNA)
where:
Base-Base interactions energy: -203.191
where: short stacking energy: -93.187
Base-Backbone interact. energy: -0.036
local terms energy: -110.520917
where:
bonds (distance) C4'-P energy: -24.443
bonds (distance) P-C4' energy: -22.690
flat angles C4'-P-C4' energy: -25.950
flat angles P-C4'-P energy: -13.319
tors. eta vs tors. theta energy: -24.119
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: 4
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -151.475748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.475748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.475748 (E_RNA)
where:
Base-Base interactions energy: -48.874
where: short stacking energy: -46.548
Base-Backbone interact. energy: -1.337
local terms energy: -101.264237
where:
bonds (distance) C4'-P energy: -27.113
bonds (distance) P-C4' energy: -36.280
flat angles C4'-P-C4' energy: -21.572
flat angles P-C4'-P energy: -13.523
tors. eta vs tors. theta energy: -2.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -139.106661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.106661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.106661 (E_RNA)
where:
Base-Base interactions energy: -56.461
where: short stacking energy: -40.492
Base-Backbone interact. energy: -2.035
local terms energy: -80.611092
where:
bonds (distance) C4'-P energy: -26.768
bonds (distance) P-C4' energy: -22.403
flat angles C4'-P-C4' energy: -18.342
flat angles P-C4'-P energy: -19.476
tors. eta vs tors. theta energy: 6.378
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: 6
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -544.193044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.193044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.193044 (E_RNA)
where:
Base-Base interactions energy: -374.610
where: short stacking energy: -167.613
Base-Backbone interact. energy: -0.542
local terms energy: -169.040844
where:
bonds (distance) C4'-P energy: -29.908
bonds (distance) P-C4' energy: -31.503
flat angles C4'-P-C4' energy: -32.038
flat angles P-C4'-P energy: -27.305
tors. eta vs tors. theta energy: -48.286
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: 10
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -530.320862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.320862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.320862 (E_RNA)
where:
Base-Base interactions energy: -354.174
where: short stacking energy: -144.322
Base-Backbone interact. energy: -0.915
local terms energy: -175.231681
where:
bonds (distance) C4'-P energy: -35.321
bonds (distance) P-C4' energy: -32.287
flat angles C4'-P-C4' energy: -38.672
flat angles P-C4'-P energy: -25.284
tors. eta vs tors. theta energy: -43.668
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: 2
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -509.407241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.407241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.407241 (E_RNA)
where:
Base-Base interactions energy: -342.970
where: short stacking energy: -151.482
Base-Backbone interact. energy: -0.052
local terms energy: -166.384515
where:
bonds (distance) C4'-P energy: -28.776
bonds (distance) P-C4' energy: -30.583
flat angles C4'-P-C4' energy: -32.874
flat angles P-C4'-P energy: -25.852
tors. eta vs tors. theta energy: -48.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -436.320321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.320321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.320321 (E_RNA)
where:
Base-Base interactions energy: -290.862
where: short stacking energy: -135.248
Base-Backbone interact. energy: 0.784
local terms energy: -146.241866
where:
bonds (distance) C4'-P energy: -28.134
bonds (distance) P-C4' energy: -26.109
flat angles C4'-P-C4' energy: -34.101
flat angles P-C4'-P energy: -24.803
tors. eta vs tors. theta energy: -33.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -419.939700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.939700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.939700 (E_RNA)
where:
Base-Base interactions energy: -276.890
where: short stacking energy: -121.846
Base-Backbone interact. energy: -0.738
local terms energy: -142.311672
where:
bonds (distance) C4'-P energy: -30.496
bonds (distance) P-C4' energy: -34.908
flat angles C4'-P-C4' energy: -21.599
flat angles P-C4'-P energy: -21.164
tors. eta vs tors. theta energy: -34.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -441.945440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.945440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.945440 (E_RNA)
where:
Base-Base interactions energy: -279.679
where: short stacking energy: -129.539
Base-Backbone interact. energy: -0.882
local terms energy: -161.384603
where:
bonds (distance) C4'-P energy: -28.299
bonds (distance) P-C4' energy: -35.859
flat angles C4'-P-C4' energy: -35.853
flat angles P-C4'-P energy: -23.968
tors. eta vs tors. theta energy: -37.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -309.085446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.085446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.085446 (E_RNA)
where:
Base-Base interactions energy: -183.932
where: short stacking energy: -91.996
Base-Backbone interact. energy: -0.727
local terms energy: -124.426924
where:
bonds (distance) C4'-P energy: -26.042
bonds (distance) P-C4' energy: -29.253
flat angles C4'-P-C4' energy: -26.963
flat angles P-C4'-P energy: -16.647
tors. eta vs tors. theta energy: -25.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -318.600483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.600483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.600483 (E_RNA)
where:
Base-Base interactions energy: -194.791
where: short stacking energy: -106.744
Base-Backbone interact. energy: -0.905
local terms energy: -122.904988
where:
bonds (distance) C4'-P energy: -11.795
bonds (distance) P-C4' energy: -35.446
flat angles C4'-P-C4' energy: -32.801
flat angles P-C4'-P energy: -19.152
tors. eta vs tors. theta energy: -23.710
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: 9, replica: 4
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -159.121608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.121608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.121608 (E_RNA)
where:
Base-Base interactions energy: -55.025
where: short stacking energy: -54.869
Base-Backbone interact. energy: -0.196
local terms energy: -103.900796
where:
bonds (distance) C4'-P energy: -35.542
bonds (distance) P-C4' energy: -20.849
flat angles C4'-P-C4' energy: -28.490
flat angles P-C4'-P energy: -14.810
tors. eta vs tors. theta energy: -4.209
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: 299
Temperature: 1.350000
Total energy: -153.194077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.194077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.194077 (E_RNA)
where:
Base-Base interactions energy: -76.005
where: short stacking energy: -49.806
Base-Backbone interact. energy: 2.805
local terms energy: -79.994342
where:
bonds (distance) C4'-P energy: -31.536
bonds (distance) P-C4' energy: -20.521
flat angles C4'-P-C4' energy: -20.097
flat angles P-C4'-P energy: -12.348
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: 6
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -537.647826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.647826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.647826 (E_RNA)
where:
Base-Base interactions energy: -365.038
where: short stacking energy: -168.299
Base-Backbone interact. energy: -1.222
local terms energy: -171.387389
where:
bonds (distance) C4'-P energy: -35.274
bonds (distance) P-C4' energy: -35.653
flat angles C4'-P-C4' energy: -31.594
flat angles P-C4'-P energy: -23.162
tors. eta vs tors. theta energy: -45.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -503.446455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.446455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.446455 (E_RNA)
where:
Base-Base interactions energy: -348.824
where: short stacking energy: -146.258
Base-Backbone interact. energy: -1.405
local terms energy: -153.217373
where:
bonds (distance) C4'-P energy: -25.387
bonds (distance) P-C4' energy: -28.186
flat angles C4'-P-C4' energy: -32.902
flat angles P-C4'-P energy: -25.295
tors. eta vs tors. theta energy: -41.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -515.549176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.549176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.549176 (E_RNA)
where:
Base-Base interactions energy: -357.685
where: short stacking energy: -159.117
Base-Backbone interact. energy: -0.753
local terms energy: -157.111469
where:
bonds (distance) C4'-P energy: -32.056
bonds (distance) P-C4' energy: -27.100
flat angles C4'-P-C4' energy: -29.455
flat angles P-C4'-P energy: -21.060
tors. eta vs tors. theta energy: -47.441
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: 3
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -416.677391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.677391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.677391 (E_RNA)
where:
Base-Base interactions energy: -268.457
where: short stacking energy: -117.892
Base-Backbone interact. energy: -1.306
local terms energy: -146.914239
where:
bonds (distance) C4'-P energy: -29.464
bonds (distance) P-C4' energy: -32.214
flat angles C4'-P-C4' energy: -24.789
flat angles P-C4'-P energy: -27.232
tors. eta vs tors. theta energy: -33.215
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: 1
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -415.789219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.789219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.789219 (E_RNA)
where:
Base-Base interactions energy: -265.468
where: short stacking energy: -121.295
Base-Backbone interact. energy: -1.485
local terms energy: -148.836798
where:
bonds (distance) C4'-P energy: -26.369
bonds (distance) P-C4' energy: -29.979
flat angles C4'-P-C4' energy: -32.290
flat angles P-C4'-P energy: -22.387
tors. eta vs tors. theta energy: -37.811
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: 6, replica: 7
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -428.322304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.322304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.322304 (E_RNA)
where:
Base-Base interactions energy: -278.687
where: short stacking energy: -144.306
Base-Backbone interact. energy: -1.080
local terms energy: -148.555437
where:
bonds (distance) C4'-P energy: -20.989
bonds (distance) P-C4' energy: -31.823
flat angles C4'-P-C4' energy: -33.262
flat angles P-C4'-P energy: -26.161
tors. eta vs tors. theta energy: -36.320
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: 8
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -334.750891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.750891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.750891 (E_RNA)
where:
Base-Base interactions energy: -213.816
where: short stacking energy: -109.961
Base-Backbone interact. energy: -0.296
local terms energy: -120.638583
where:
bonds (distance) C4'-P energy: -25.514
bonds (distance) P-C4' energy: -22.844
flat angles C4'-P-C4' energy: -34.493
flat angles P-C4'-P energy: -14.419
tors. eta vs tors. theta energy: -23.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -322.873255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.873255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.873255 (E_RNA)
where:
Base-Base interactions energy: -202.330
where: short stacking energy: -104.040
Base-Backbone interact. energy: -0.350
local terms energy: -120.193511
where:
bonds (distance) C4'-P energy: -23.977
bonds (distance) P-C4' energy: -21.281
flat angles C4'-P-C4' energy: -30.939
flat angles P-C4'-P energy: -14.068
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: 9, replica: 4
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -168.668414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.668414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.668414 (E_RNA)
where:
Base-Base interactions energy: -77.906
where: short stacking energy: -63.343
Base-Backbone interact. energy: -0.279
local terms energy: -90.482928
where:
bonds (distance) C4'-P energy: -21.848
bonds (distance) P-C4' energy: -21.512
flat angles C4'-P-C4' energy: -21.000
flat angles P-C4'-P energy: -18.988
tors. eta vs tors. theta energy: -7.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -167.562572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.562572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.562572 (E_RNA)
where:
Base-Base interactions energy: -73.897
where: short stacking energy: -59.209
Base-Backbone interact. energy: -0.290
local terms energy: -93.375876
where:
bonds (distance) C4'-P energy: -33.493
bonds (distance) P-C4' energy: -23.944
flat angles C4'-P-C4' energy: -22.154
flat angles P-C4'-P energy: -11.266
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: 6
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -545.440767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.440767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.440767 (E_RNA)
where:
Base-Base interactions energy: -379.330
where: short stacking energy: -164.201
Base-Backbone interact. energy: 0.799
local terms energy: -166.909979
where:
bonds (distance) C4'-P energy: -26.251
bonds (distance) P-C4' energy: -33.051
flat angles C4'-P-C4' energy: -36.157
flat angles P-C4'-P energy: -20.913
tors. eta vs tors. theta energy: -50.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -517.408568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.408568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.408568 (E_RNA)
where:
Base-Base interactions energy: -352.515
where: short stacking energy: -158.429
Base-Backbone interact. energy: -0.191
local terms energy: -164.702806
where:
bonds (distance) C4'-P energy: -26.952
bonds (distance) P-C4' energy: -29.444
flat angles C4'-P-C4' energy: -35.392
flat angles P-C4'-P energy: -22.721
tors. eta vs tors. theta energy: -50.194
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: 301
Temperature: 1.000000
Total energy: -484.368866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.368866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.368866 (E_RNA)
where:
Base-Base interactions energy: -315.292
where: short stacking energy: -147.199
Base-Backbone interact. energy: -2.416
local terms energy: -166.661275
where:
bonds (distance) C4'-P energy: -34.514
bonds (distance) P-C4' energy: -31.428
flat angles C4'-P-C4' energy: -36.544
flat angles P-C4'-P energy: -20.582
tors. eta vs tors. theta energy: -43.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -433.116532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.116532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.116532 (E_RNA)
where:
Base-Base interactions energy: -290.226
where: short stacking energy: -120.826
Base-Backbone interact. energy: -0.344
local terms energy: -142.547292
where:
bonds (distance) C4'-P energy: -19.773
bonds (distance) P-C4' energy: -33.215
flat angles C4'-P-C4' energy: -33.771
flat angles P-C4'-P energy: -26.407
tors. eta vs tors. theta energy: -29.381
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: 301
Temperature: 1.100000
Total energy: -421.848406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.848406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.848406 (E_RNA)
where:
Base-Base interactions energy: -273.983
where: short stacking energy: -130.241
Base-Backbone interact. energy: -1.963
local terms energy: -145.902247
where:
bonds (distance) C4'-P energy: -26.595
bonds (distance) P-C4' energy: -27.410
flat angles C4'-P-C4' energy: -31.209
flat angles P-C4'-P energy: -22.149
tors. eta vs tors. theta energy: -38.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -418.984564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.984564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.984564 (E_RNA)
where:
Base-Base interactions energy: -278.700
where: short stacking energy: -113.039
Base-Backbone interact. energy: -0.284
local terms energy: -140.001043
where:
bonds (distance) C4'-P energy: -27.308
bonds (distance) P-C4' energy: -30.722
flat angles C4'-P-C4' energy: -30.274
flat angles P-C4'-P energy: -19.507
tors. eta vs tors. theta energy: -32.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -332.684595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.684595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.684595 (E_RNA)
where:
Base-Base interactions energy: -200.715
where: short stacking energy: -99.581
Base-Backbone interact. energy: 0.798
local terms energy: -132.767180
where:
bonds (distance) C4'-P energy: -31.803
bonds (distance) P-C4' energy: -31.756
flat angles C4'-P-C4' energy: -24.459
flat angles P-C4'-P energy: -13.556
tors. eta vs tors. theta energy: -31.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -299.694531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.694531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.694531 (E_RNA)
where:
Base-Base interactions energy: -177.642
where: short stacking energy: -82.238
Base-Backbone interact. energy: 0.515
local terms energy: -122.568116
where:
bonds (distance) C4'-P energy: -26.513
bonds (distance) P-C4' energy: -28.508
flat angles C4'-P-C4' energy: -28.673
flat angles P-C4'-P energy: -23.310
tors. eta vs tors. theta energy: -15.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -151.503980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.503980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.503980 (E_RNA)
where:
Base-Base interactions energy: -67.075
where: short stacking energy: -63.667
Base-Backbone interact. energy: 0.181
local terms energy: -84.610082
where:
bonds (distance) C4'-P energy: -23.562
bonds (distance) P-C4' energy: -25.828
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -16.103
tors. eta vs tors. theta energy: -3.872
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: 301
Temperature: 1.350000
Total energy: -166.072351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.072351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.072351 (E_RNA)
where:
Base-Base interactions energy: -62.991
where: short stacking energy: -46.150
Base-Backbone interact. energy: -2.247
local terms energy: -100.834667
where:
bonds (distance) C4'-P energy: -30.970
bonds (distance) P-C4' energy: -33.804
flat angles C4'-P-C4' energy: -24.903
flat angles P-C4'-P energy: -14.909
tors. eta vs tors. theta energy: 3.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -534.818717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.818717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.818717 (E_RNA)
where:
Base-Base interactions energy: -362.517
where: short stacking energy: -157.365
Base-Backbone interact. energy: -0.217
local terms energy: -172.085028
where:
bonds (distance) C4'-P energy: -37.275
bonds (distance) P-C4' energy: -34.810
flat angles C4'-P-C4' energy: -33.334
flat angles P-C4'-P energy: -17.769
tors. eta vs tors. theta energy: -48.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -540.318267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.318267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.318267 (E_RNA)
where:
Base-Base interactions energy: -353.185
where: short stacking energy: -159.417
Base-Backbone interact. energy: -0.010
local terms energy: -187.122816
where:
bonds (distance) C4'-P energy: -37.115
bonds (distance) P-C4' energy: -37.859
flat angles C4'-P-C4' energy: -40.104
flat angles P-C4'-P energy: -24.745
tors. eta vs tors. theta energy: -47.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -493.541725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.541725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.541725 (E_RNA)
where:
Base-Base interactions energy: -329.782
where: short stacking energy: -143.316
Base-Backbone interact. energy: -1.736
local terms energy: -162.024143
where:
bonds (distance) C4'-P energy: -28.438
bonds (distance) P-C4' energy: -34.287
flat angles C4'-P-C4' energy: -32.583
flat angles P-C4'-P energy: -25.149
tors. eta vs tors. theta energy: -41.566
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: 1
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -435.845985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.845985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.845985 (E_RNA)
where:
Base-Base interactions energy: -281.448
where: short stacking energy: -140.459
Base-Backbone interact. energy: 3.202
local terms energy: -157.600233
where:
bonds (distance) C4'-P energy: -37.993
bonds (distance) P-C4' energy: -28.137
flat angles C4'-P-C4' energy: -33.605
flat angles P-C4'-P energy: -18.448
tors. eta vs tors. theta energy: -39.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -445.956626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.956626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.956626 (E_RNA)
where:
Base-Base interactions energy: -297.765
where: short stacking energy: -150.720
Base-Backbone interact. energy: -0.401
local terms energy: -147.791048
where:
bonds (distance) C4'-P energy: -29.184
bonds (distance) P-C4' energy: -31.157
flat angles C4'-P-C4' energy: -29.395
flat angles P-C4'-P energy: -20.405
tors. eta vs tors. theta energy: -37.650
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: 3
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -399.579731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.579731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.579731 (E_RNA)
where:
Base-Base interactions energy: -259.478
where: short stacking energy: -128.112
Base-Backbone interact. energy: -0.412
local terms energy: -139.689138
where:
bonds (distance) C4'-P energy: -28.561
bonds (distance) P-C4' energy: -30.376
flat angles C4'-P-C4' energy: -26.586
flat angles P-C4'-P energy: -20.355
tors. eta vs tors. theta energy: -33.811
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: 7, replica: 8
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -341.864180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.864180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.864180 (E_RNA)
where:
Base-Base interactions energy: -202.828
where: short stacking energy: -106.517
Base-Backbone interact. energy: -0.847
local terms energy: -138.188727
where:
bonds (distance) C4'-P energy: -35.910
bonds (distance) P-C4' energy: -31.428
flat angles C4'-P-C4' energy: -31.961
flat angles P-C4'-P energy: -19.443
tors. eta vs tors. theta energy: -19.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -330.047624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.047624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.047624 (E_RNA)
where:
Base-Base interactions energy: -213.370
where: short stacking energy: -115.726
Base-Backbone interact. energy: -1.069
local terms energy: -115.608211
where:
bonds (distance) C4'-P energy: -20.747
bonds (distance) P-C4' energy: -22.125
flat angles C4'-P-C4' energy: -26.278
flat angles P-C4'-P energy: -12.880
tors. eta vs tors. theta energy: -33.578
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: 9, replica: 4
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -164.756278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.756278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.756278 (E_RNA)
where:
Base-Base interactions energy: -69.977
where: short stacking energy: -60.383
Base-Backbone interact. energy: 5.342
local terms energy: -100.121144
where:
bonds (distance) C4'-P energy: -31.985
bonds (distance) P-C4' energy: -25.773
flat angles C4'-P-C4' energy: -24.402
flat angles P-C4'-P energy: -13.803
tors. eta vs tors. theta energy: -4.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -149.575242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.575242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.575242 (E_RNA)
where:
Base-Base interactions energy: -43.555
where: short stacking energy: -40.831
Base-Backbone interact. energy: -0.317
local terms energy: -105.703653
where:
bonds (distance) C4'-P energy: -35.915
bonds (distance) P-C4' energy: -31.503
flat angles C4'-P-C4' energy: -20.250
flat angles P-C4'-P energy: -22.256
tors. eta vs tors. theta energy: 4.221
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: 1, replica: 2
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -531.857724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.857724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.857724 (E_RNA)
where:
Base-Base interactions energy: -357.137
where: short stacking energy: -154.392
Base-Backbone interact. energy: -0.775
local terms energy: -173.945894
where:
bonds (distance) C4'-P energy: -35.724
bonds (distance) P-C4' energy: -33.467
flat angles C4'-P-C4' energy: -30.543
flat angles P-C4'-P energy: -27.114
tors. eta vs tors. theta energy: -47.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -537.841140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.841140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.841140 (E_RNA)
where:
Base-Base interactions energy: -372.344
where: short stacking energy: -163.185
Base-Backbone interact. energy: -0.111
local terms energy: -165.385785
where:
bonds (distance) C4'-P energy: -33.070
bonds (distance) P-C4' energy: -27.455
flat angles C4'-P-C4' energy: -34.777
flat angles P-C4'-P energy: -26.001
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: 3, replica: 10
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -489.774895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.774895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.774895 (E_RNA)
where:
Base-Base interactions energy: -330.841
where: short stacking energy: -142.868
Base-Backbone interact. energy: -1.453
local terms energy: -157.481039
where:
bonds (distance) C4'-P energy: -34.880
bonds (distance) P-C4' energy: -26.843
flat angles C4'-P-C4' energy: -32.468
flat angles P-C4'-P energy: -27.789
tors. eta vs tors. theta energy: -35.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -465.304233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.304233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.304233 (E_RNA)
where:
Base-Base interactions energy: -308.295
where: short stacking energy: -138.683
Base-Backbone interact. energy: -1.127
local terms energy: -155.881462
where:
bonds (distance) C4'-P energy: -27.289
bonds (distance) P-C4' energy: -32.995
flat angles C4'-P-C4' energy: -36.673
flat angles P-C4'-P energy: -21.198
tors. eta vs tors. theta energy: -37.726
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: 1
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -419.874261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.874261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.874261 (E_RNA)
where:
Base-Base interactions energy: -279.229
where: short stacking energy: -141.490
Base-Backbone interact. energy: -0.308
local terms energy: -140.337649
where:
bonds (distance) C4'-P energy: -28.093
bonds (distance) P-C4' energy: -22.654
flat angles C4'-P-C4' energy: -35.017
flat angles P-C4'-P energy: -19.686
tors. eta vs tors. theta energy: -34.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -394.971430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.971430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.971430 (E_RNA)
where:
Base-Base interactions energy: -254.368
where: short stacking energy: -113.737
Base-Backbone interact. energy: -1.262
local terms energy: -139.341462
where:
bonds (distance) C4'-P energy: -18.072
bonds (distance) P-C4' energy: -34.134
flat angles C4'-P-C4' energy: -35.321
flat angles P-C4'-P energy: -24.769
tors. eta vs tors. theta energy: -27.045
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: 303
Temperature: 1.200000
Total energy: -301.973848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.973848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.973848 (E_RNA)
where:
Base-Base interactions energy: -181.738
where: short stacking energy: -102.519
Base-Backbone interact. energy: -0.647
local terms energy: -119.588542
where:
bonds (distance) C4'-P energy: -28.409
bonds (distance) P-C4' energy: -28.461
flat angles C4'-P-C4' energy: -31.840
flat angles P-C4'-P energy: -16.000
tors. eta vs tors. theta energy: -14.878
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: 5
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -314.804174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.804174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.804174 (E_RNA)
where:
Base-Base interactions energy: -206.285
where: short stacking energy: -99.228
Base-Backbone interact. energy: -1.076
local terms energy: -107.443039
where:
bonds (distance) C4'-P energy: -20.242
bonds (distance) P-C4' energy: -22.650
flat angles C4'-P-C4' energy: -27.342
flat angles P-C4'-P energy: -15.037
tors. eta vs tors. theta energy: -22.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -170.353278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.353278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.353278 (E_RNA)
where:
Base-Base interactions energy: -80.548
where: short stacking energy: -66.613
Base-Backbone interact. energy: -1.300
local terms energy: -88.505331
where:
bonds (distance) C4'-P energy: -26.082
bonds (distance) P-C4' energy: -26.669
flat angles C4'-P-C4' energy: -26.864
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: 0.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -161.268601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.268601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.268601 (E_RNA)
where:
Base-Base interactions energy: -67.635
where: short stacking energy: -66.574
Base-Backbone interact. energy: -1.008
local terms energy: -92.625760
where:
bonds (distance) C4'-P energy: -24.877
bonds (distance) P-C4' energy: -28.194
flat angles C4'-P-C4' energy: -21.393
flat angles P-C4'-P energy: -17.171
tors. eta vs tors. theta energy: -0.991
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: 1, replica: 6
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -565.158644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.158644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.158644 (E_RNA)
where:
Base-Base interactions energy: -378.198
where: short stacking energy: -175.858
Base-Backbone interact. energy: -0.595
local terms energy: -186.365256
where:
bonds (distance) C4'-P energy: -38.145
bonds (distance) P-C4' energy: -36.435
flat angles C4'-P-C4' energy: -38.611
flat angles P-C4'-P energy: -25.797
tors. eta vs tors. theta energy: -47.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -540.250669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.250669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.250669 (E_RNA)
where:
Base-Base interactions energy: -366.695
where: short stacking energy: -174.255
Base-Backbone interact. energy: -0.723
local terms energy: -172.831820
where:
bonds (distance) C4'-P energy: -25.241
bonds (distance) P-C4' energy: -33.707
flat angles C4'-P-C4' energy: -40.107
flat angles P-C4'-P energy: -25.994
tors. eta vs tors. theta energy: -47.783
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: 7
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -463.172460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.172460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.172460 (E_RNA)
where:
Base-Base interactions energy: -310.565
where: short stacking energy: -140.074
Base-Backbone interact. energy: -0.457
local terms energy: -152.151351
where:
bonds (distance) C4'-P energy: -28.764
bonds (distance) P-C4' energy: -29.272
flat angles C4'-P-C4' energy: -31.702
flat angles P-C4'-P energy: -23.323
tors. eta vs tors. theta energy: -39.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -454.965605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.965605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.965605 (E_RNA)
where:
Base-Base interactions energy: -305.083
where: short stacking energy: -126.292
Base-Backbone interact. energy: -0.574
local terms energy: -149.308812
where:
bonds (distance) C4'-P energy: -30.005
bonds (distance) P-C4' energy: -34.171
flat angles C4'-P-C4' energy: -29.220
flat angles P-C4'-P energy: -19.810
tors. eta vs tors. theta energy: -36.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -422.034030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.034030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.034030 (E_RNA)
where:
Base-Base interactions energy: -268.366
where: short stacking energy: -126.399
Base-Backbone interact. energy: -0.738
local terms energy: -152.930323
where:
bonds (distance) C4'-P energy: -29.382
bonds (distance) P-C4' energy: -24.882
flat angles C4'-P-C4' energy: -39.260
flat angles P-C4'-P energy: -23.452
tors. eta vs tors. theta energy: -35.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -359.411259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.411259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.411259 (E_RNA)
where:
Base-Base interactions energy: -223.298
where: short stacking energy: -102.098
Base-Backbone interact. energy: -0.241
local terms energy: -135.873166
where:
bonds (distance) C4'-P energy: -29.295
bonds (distance) P-C4' energy: -33.025
flat angles C4'-P-C4' energy: -32.437
flat angles P-C4'-P energy: -18.022
tors. eta vs tors. theta energy: -23.094
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: 5
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -333.980367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.980367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.980367 (E_RNA)
where:
Base-Base interactions energy: -206.668
where: short stacking energy: -109.777
Base-Backbone interact. energy: -0.510
local terms energy: -126.802452
where:
bonds (distance) C4'-P energy: -29.391
bonds (distance) P-C4' energy: -30.049
flat angles C4'-P-C4' energy: -36.692
flat angles P-C4'-P energy: -2.968
tors. eta vs tors. theta energy: -27.702
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: 8
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -343.196867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.196867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.196867 (E_RNA)
where:
Base-Base interactions energy: -213.401
where: short stacking energy: -85.493
Base-Backbone interact. energy: -0.452
local terms energy: -129.343782
where:
bonds (distance) C4'-P energy: -28.133
bonds (distance) P-C4' energy: -35.074
flat angles C4'-P-C4' energy: -31.564
flat angles P-C4'-P energy: -19.665
tors. eta vs tors. theta energy: -14.909
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: 4
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -168.359865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.359865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.359865 (E_RNA)
where:
Base-Base interactions energy: -71.135
where: short stacking energy: -63.433
Base-Backbone interact. energy: 2.726
local terms energy: -99.950757
where:
bonds (distance) C4'-P energy: -17.433
bonds (distance) P-C4' energy: -28.625
flat angles C4'-P-C4' energy: -27.347
flat angles P-C4'-P energy: -14.697
tors. eta vs tors. theta energy: -11.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -155.996750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.996750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.996750 (E_RNA)
where:
Base-Base interactions energy: -50.179
where: short stacking energy: -48.110
Base-Backbone interact. energy: 0.095
local terms energy: -105.913397
where:
bonds (distance) C4'-P energy: -29.262
bonds (distance) P-C4' energy: -37.467
flat angles C4'-P-C4' energy: -21.500
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -7.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -552.492881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.492881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.492881 (E_RNA)
where:
Base-Base interactions energy: -386.404
where: short stacking energy: -170.915
Base-Backbone interact. energy: 0.232
local terms energy: -166.320451
where:
bonds (distance) C4'-P energy: -28.548
bonds (distance) P-C4' energy: -32.173
flat angles C4'-P-C4' energy: -38.850
flat angles P-C4'-P energy: -19.754
tors. eta vs tors. theta energy: -46.995
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: 7
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -465.842604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.842604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.842604 (E_RNA)
where:
Base-Base interactions energy: -303.422
where: short stacking energy: -150.697
Base-Backbone interact. energy: -1.772
local terms energy: -160.648668
where:
bonds (distance) C4'-P energy: -35.910
bonds (distance) P-C4' energy: -32.563
flat angles C4'-P-C4' energy: -31.429
flat angles P-C4'-P energy: -17.989
tors. eta vs tors. theta energy: -42.759
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: 2
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -491.079376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.079376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.079376 (E_RNA)
where:
Base-Base interactions energy: -323.811
where: short stacking energy: -135.738
Base-Backbone interact. energy: -0.569
local terms energy: -166.698918
where:
bonds (distance) C4'-P energy: -32.527
bonds (distance) P-C4' energy: -27.116
flat angles C4'-P-C4' energy: -35.926
flat angles P-C4'-P energy: -26.706
tors. eta vs tors. theta energy: -44.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -417.045396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.045396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.045396 (E_RNA)
where:
Base-Base interactions energy: -275.237
where: short stacking energy: -133.608
Base-Backbone interact. energy: 1.497
local terms energy: -143.306073
where:
bonds (distance) C4'-P energy: -32.110
bonds (distance) P-C4' energy: -34.115
flat angles C4'-P-C4' energy: -31.251
flat angles P-C4'-P energy: -16.438
tors. eta vs tors. theta energy: -29.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -464.035041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.035041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.035041 (E_RNA)
where:
Base-Base interactions energy: -314.010
where: short stacking energy: -140.746
Base-Backbone interact. energy: -0.393
local terms energy: -149.632207
where:
bonds (distance) C4'-P energy: -23.989
bonds (distance) P-C4' energy: -33.989
flat angles C4'-P-C4' energy: -31.421
flat angles P-C4'-P energy: -21.061
tors. eta vs tors. theta energy: -39.173
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: 3
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -340.433373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.433373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.433373 (E_RNA)
where:
Base-Base interactions energy: -203.134
where: short stacking energy: -106.202
Base-Backbone interact. energy: -0.894
local terms energy: -136.405755
where:
bonds (distance) C4'-P energy: -31.249
bonds (distance) P-C4' energy: -28.831
flat angles C4'-P-C4' energy: -36.109
flat angles P-C4'-P energy: -15.037
tors. eta vs tors. theta energy: -25.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -318.920731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.920731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.920731 (E_RNA)
where:
Base-Base interactions energy: -183.830
where: short stacking energy: -87.989
Base-Backbone interact. energy: -1.137
local terms energy: -133.953500
where:
bonds (distance) C4'-P energy: -24.948
bonds (distance) P-C4' energy: -31.998
flat angles C4'-P-C4' energy: -24.605
flat angles P-C4'-P energy: -27.761
tors. eta vs tors. theta energy: -24.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -305.666706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.666706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.666706 (E_RNA)
where:
Base-Base interactions energy: -189.373
where: short stacking energy: -80.925
Base-Backbone interact. energy: -1.257
local terms energy: -115.036809
where:
bonds (distance) C4'-P energy: -26.264
bonds (distance) P-C4' energy: -26.170
flat angles C4'-P-C4' energy: -29.521
flat angles P-C4'-P energy: -21.591
tors. eta vs tors. theta energy: -11.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -175.834232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.834232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.834232 (E_RNA)
where:
Base-Base interactions energy: -84.811
where: short stacking energy: -62.156
Base-Backbone interact. energy: -0.426
local terms energy: -90.597405
where:
bonds (distance) C4'-P energy: -31.190
bonds (distance) P-C4' energy: -24.276
flat angles C4'-P-C4' energy: -17.861
flat angles P-C4'-P energy: -15.821
tors. eta vs tors. theta energy: -1.448
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: 305
Temperature: 1.350000
Total energy: -146.348323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.348323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.348323 (E_RNA)
where:
Base-Base interactions energy: -51.091
where: short stacking energy: -50.107
Base-Backbone interact. energy: -0.320
local terms energy: -94.936841
where:
bonds (distance) C4'-P energy: -19.327
bonds (distance) P-C4' energy: -31.438
flat angles C4'-P-C4' energy: -25.013
flat angles P-C4'-P energy: -15.138
tors. eta vs tors. theta energy: -4.021
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: 1, replica: 6
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -554.559950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.559950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.559950 (E_RNA)
where:
Base-Base interactions energy: -379.295
where: short stacking energy: -160.532
Base-Backbone interact. energy: -1.526
local terms energy: -173.738275
where:
bonds (distance) C4'-P energy: -31.228
bonds (distance) P-C4' energy: -34.576
flat angles C4'-P-C4' energy: -35.945
flat angles P-C4'-P energy: -27.653
tors. eta vs tors. theta energy: -44.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -467.777928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.777928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.777928 (E_RNA)
where:
Base-Base interactions energy: -316.691
where: short stacking energy: -140.752
Base-Backbone interact. energy: -1.900
local terms energy: -149.186171
where:
bonds (distance) C4'-P energy: -31.178
bonds (distance) P-C4' energy: -29.130
flat angles C4'-P-C4' energy: -33.509
flat angles P-C4'-P energy: -18.583
tors. eta vs tors. theta energy: -36.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -515.989848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.989848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.989848 (E_RNA)
where:
Base-Base interactions energy: -341.180
where: short stacking energy: -159.112
Base-Backbone interact. energy: -0.840
local terms energy: -173.970533
where:
bonds (distance) C4'-P energy: -26.901
bonds (distance) P-C4' energy: -35.814
flat angles C4'-P-C4' energy: -33.719
flat angles P-C4'-P energy: -30.043
tors. eta vs tors. theta energy: -47.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -444.492239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.492239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.492239 (E_RNA)
where:
Base-Base interactions energy: -279.607
where: short stacking energy: -132.966
Base-Backbone interact. energy: -0.345
local terms energy: -164.540610
where:
bonds (distance) C4'-P energy: -34.062
bonds (distance) P-C4' energy: -30.975
flat angles C4'-P-C4' energy: -34.340
flat angles P-C4'-P energy: -24.097
tors. eta vs tors. theta energy: -41.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -465.677088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.677088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.677088 (E_RNA)
where:
Base-Base interactions energy: -309.481
where: short stacking energy: -129.934
Base-Backbone interact. energy: -0.154
local terms energy: -156.041576
where:
bonds (distance) C4'-P energy: -25.899
bonds (distance) P-C4' energy: -32.123
flat angles C4'-P-C4' energy: -33.884
flat angles P-C4'-P energy: -25.087
tors. eta vs tors. theta energy: -39.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -342.368857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.368857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.368857 (E_RNA)
where:
Base-Base interactions energy: -209.043
where: short stacking energy: -106.385
Base-Backbone interact. energy: 0.032
local terms energy: -133.357234
where:
bonds (distance) C4'-P energy: -29.135
bonds (distance) P-C4' energy: -32.071
flat angles C4'-P-C4' energy: -31.232
flat angles P-C4'-P energy: -17.625
tors. eta vs tors. theta energy: -23.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -319.380004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.380004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.380004 (E_RNA)
where:
Base-Base interactions energy: -198.759
where: short stacking energy: -87.607
Base-Backbone interact. energy: -0.928
local terms energy: -119.692426
where:
bonds (distance) C4'-P energy: -22.786
bonds (distance) P-C4' energy: -34.720
flat angles C4'-P-C4' energy: -31.205
flat angles P-C4'-P energy: -20.910
tors. eta vs tors. theta energy: -10.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -296.770994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.770994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.770994 (E_RNA)
where:
Base-Base interactions energy: -191.782
where: short stacking energy: -98.266
Base-Backbone interact. energy: -0.620
local terms energy: -104.369328
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -27.278
flat angles C4'-P-C4' energy: -26.796
flat angles P-C4'-P energy: -15.373
tors. eta vs tors. theta energy: -18.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -154.908948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.908948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.908948 (E_RNA)
where:
Base-Base interactions energy: -62.471
where: short stacking energy: -52.584
Base-Backbone interact. energy: 0.176
local terms energy: -92.614624
where:
bonds (distance) C4'-P energy: -28.338
bonds (distance) P-C4' energy: -29.237
flat angles C4'-P-C4' energy: -18.705
flat angles P-C4'-P energy: -18.684
tors. eta vs tors. theta energy: 2.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -163.414160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.414160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.414160 (E_RNA)
where:
Base-Base interactions energy: -65.088
where: short stacking energy: -61.744
Base-Backbone interact. energy: -1.706
local terms energy: -96.619755
where:
bonds (distance) C4'-P energy: -29.736
bonds (distance) P-C4' energy: -26.577
flat angles C4'-P-C4' energy: -22.787
flat angles P-C4'-P energy: -6.853
tors. eta vs tors. theta energy: -10.666
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: 6
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -557.441872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.441872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.441872 (E_RNA)
where:
Base-Base interactions energy: -382.956
where: short stacking energy: -170.424
Base-Backbone interact. energy: -0.292
local terms energy: -174.194338
where:
bonds (distance) C4'-P energy: -26.586
bonds (distance) P-C4' energy: -35.664
flat angles C4'-P-C4' energy: -36.363
flat angles P-C4'-P energy: -29.323
tors. eta vs tors. theta energy: -46.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -527.471161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.471161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.471161 (E_RNA)
where:
Base-Base interactions energy: -349.671
where: short stacking energy: -162.869
Base-Backbone interact. energy: -0.309
local terms energy: -177.491202
where:
bonds (distance) C4'-P energy: -34.304
bonds (distance) P-C4' energy: -34.166
flat angles C4'-P-C4' energy: -34.977
flat angles P-C4'-P energy: -25.291
tors. eta vs tors. theta energy: -48.754
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: 307
Temperature: 1.000000
Total energy: -464.696391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.696391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.696391 (E_RNA)
where:
Base-Base interactions energy: -316.593
where: short stacking energy: -142.278
Base-Backbone interact. energy: 0.146
local terms energy: -148.248918
where:
bonds (distance) C4'-P energy: -28.051
bonds (distance) P-C4' energy: -35.427
flat angles C4'-P-C4' energy: -30.139
flat angles P-C4'-P energy: -24.987
tors. eta vs tors. theta energy: -29.645
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: 4, replica: 10
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -507.495598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.495598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.495598 (E_RNA)
where:
Base-Base interactions energy: -342.820
where: short stacking energy: -154.695
Base-Backbone interact. energy: -0.041
local terms energy: -164.635173
where:
bonds (distance) C4'-P energy: -29.661
bonds (distance) P-C4' energy: -35.548
flat angles C4'-P-C4' energy: -30.514
flat angles P-C4'-P energy: -22.915
tors. eta vs tors. theta energy: -45.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -442.525337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.525337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.525337 (E_RNA)
where:
Base-Base interactions energy: -290.854
where: short stacking energy: -139.423
Base-Backbone interact. energy: -1.354
local terms energy: -150.317240
where:
bonds (distance) C4'-P energy: -31.609
bonds (distance) P-C4' energy: -25.279
flat angles C4'-P-C4' energy: -36.008
flat angles P-C4'-P energy: -22.715
tors. eta vs tors. theta energy: -34.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -354.886303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.886303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.886303 (E_RNA)
where:
Base-Base interactions energy: -222.696
where: short stacking energy: -98.259
Base-Backbone interact. energy: -0.290
local terms energy: -131.900568
where:
bonds (distance) C4'-P energy: -26.122
bonds (distance) P-C4' energy: -33.514
flat angles C4'-P-C4' energy: -22.175
flat angles P-C4'-P energy: -22.476
tors. eta vs tors. theta energy: -27.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -324.971723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.971723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.971723 (E_RNA)
where:
Base-Base interactions energy: -202.765
where: short stacking energy: -91.331
Base-Backbone interact. energy: 0.129
local terms energy: -122.335536
where:
bonds (distance) C4'-P energy: -23.223
bonds (distance) P-C4' energy: -30.442
flat angles C4'-P-C4' energy: -33.343
flat angles P-C4'-P energy: -12.543
tors. eta vs tors. theta energy: -22.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -319.236909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.236909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.236909 (E_RNA)
where:
Base-Base interactions energy: -202.603
where: short stacking energy: -105.664
Base-Backbone interact. energy: 2.681
local terms energy: -119.314560
where:
bonds (distance) C4'-P energy: -24.302
bonds (distance) P-C4' energy: -29.280
flat angles C4'-P-C4' energy: -28.201
flat angles P-C4'-P energy: -17.430
tors. eta vs tors. theta energy: -20.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -197.473084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.473084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.473084 (E_RNA)
where:
Base-Base interactions energy: -94.124
where: short stacking energy: -60.578
Base-Backbone interact. energy: 0.371
local terms energy: -103.719482
where:
bonds (distance) C4'-P energy: -23.266
bonds (distance) P-C4' energy: -31.705
flat angles C4'-P-C4' energy: -28.832
flat angles P-C4'-P energy: -13.601
tors. eta vs tors. theta energy: -6.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -140.660825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.660825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.660825 (E_RNA)
where:
Base-Base interactions energy: -49.753
where: short stacking energy: -48.646
Base-Backbone interact. energy: 0.318
local terms energy: -91.226278
where:
bonds (distance) C4'-P energy: -29.423
bonds (distance) P-C4' energy: -23.874
flat angles C4'-P-C4' energy: -24.304
flat angles P-C4'-P energy: -15.037
tors. eta vs tors. theta energy: 1.411
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: 1, replica: 6
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -553.580317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.580317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.580317 (E_RNA)
where:
Base-Base interactions energy: -377.621
where: short stacking energy: -171.135
Base-Backbone interact. energy: -0.082
local terms energy: -175.876736
where:
bonds (distance) C4'-P energy: -32.772
bonds (distance) P-C4' energy: -32.631
flat angles C4'-P-C4' energy: -38.204
flat angles P-C4'-P energy: -26.143
tors. eta vs tors. theta energy: -46.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -522.088910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.088910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.088910 (E_RNA)
where:
Base-Base interactions energy: -357.058
where: short stacking energy: -159.519
Base-Backbone interact. energy: -0.056
local terms energy: -164.974430
where:
bonds (distance) C4'-P energy: -31.489
bonds (distance) P-C4' energy: -28.046
flat angles C4'-P-C4' energy: -35.852
flat angles P-C4'-P energy: -22.717
tors. eta vs tors. theta energy: -46.871
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: 10
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -514.347987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.347987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.347987 (E_RNA)
where:
Base-Base interactions energy: -348.234
where: short stacking energy: -159.322
Base-Backbone interact. energy: -1.749
local terms energy: -164.364597
where:
bonds (distance) C4'-P energy: -34.627
bonds (distance) P-C4' energy: -28.412
flat angles C4'-P-C4' energy: -36.021
flat angles P-C4'-P energy: -24.430
tors. eta vs tors. theta energy: -40.874
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: 308
Temperature: 1.050000
Total energy: -452.136678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.136678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.136678 (E_RNA)
where:
Base-Base interactions energy: -305.840
where: short stacking energy: -141.625
Base-Backbone interact. energy: -0.866
local terms energy: -145.430661
where:
bonds (distance) C4'-P energy: -30.291
bonds (distance) P-C4' energy: -28.742
flat angles C4'-P-C4' energy: -30.439
flat angles P-C4'-P energy: -18.850
tors. eta vs tors. theta energy: -37.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -423.970599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.970599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.970599 (E_RNA)
where:
Base-Base interactions energy: -286.009
where: short stacking energy: -127.790
Base-Backbone interact. energy: -1.037
local terms energy: -136.925038
where:
bonds (distance) C4'-P energy: -22.515
bonds (distance) P-C4' energy: -27.294
flat angles C4'-P-C4' energy: -32.570
flat angles P-C4'-P energy: -22.624
tors. eta vs tors. theta energy: -31.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -353.125256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.125256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.125256 (E_RNA)
where:
Base-Base interactions energy: -218.598
where: short stacking energy: -116.315
Base-Backbone interact. energy: -0.452
local terms energy: -134.075265
where:
bonds (distance) C4'-P energy: -22.303
bonds (distance) P-C4' energy: -30.485
flat angles C4'-P-C4' energy: -32.848
flat angles P-C4'-P energy: -20.103
tors. eta vs tors. theta energy: -28.335
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: 5
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -324.810215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.810215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.810215 (E_RNA)
where:
Base-Base interactions energy: -196.022
where: short stacking energy: -89.916
Base-Backbone interact. energy: 1.140
local terms energy: -129.927646
where:
bonds (distance) C4'-P energy: -28.222
bonds (distance) P-C4' energy: -26.625
flat angles C4'-P-C4' energy: -32.123
flat angles P-C4'-P energy: -20.932
tors. eta vs tors. theta energy: -22.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -314.199301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.199301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.199301 (E_RNA)
where:
Base-Base interactions energy: -204.601
where: short stacking energy: -88.160
Base-Backbone interact. energy: 3.595
local terms energy: -113.193652
where:
bonds (distance) C4'-P energy: -25.321
bonds (distance) P-C4' energy: -27.827
flat angles C4'-P-C4' energy: -30.837
flat angles P-C4'-P energy: -16.202
tors. eta vs tors. theta energy: -13.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -182.359978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.359978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.359978 (E_RNA)
where:
Base-Base interactions energy: -76.888
where: short stacking energy: -56.391
Base-Backbone interact. energy: -0.542
local terms energy: -104.929069
where:
bonds (distance) C4'-P energy: -24.459
bonds (distance) P-C4' energy: -34.781
flat angles C4'-P-C4' energy: -31.268
flat angles P-C4'-P energy: -7.163
tors. eta vs tors. theta energy: -7.258
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: 4
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -154.275326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.275326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.275326 (E_RNA)
where:
Base-Base interactions energy: -51.943
where: short stacking energy: -48.612
Base-Backbone interact. energy: 4.027
local terms energy: -106.359654
where:
bonds (distance) C4'-P energy: -31.964
bonds (distance) P-C4' energy: -26.927
flat angles C4'-P-C4' energy: -28.760
flat angles P-C4'-P energy: -21.890
tors. eta vs tors. theta energy: 3.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -552.692513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.692513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.692513 (E_RNA)
where:
Base-Base interactions energy: -372.234
where: short stacking energy: -167.980
Base-Backbone interact. energy: -0.212
local terms energy: -180.246429
where:
bonds (distance) C4'-P energy: -30.836
bonds (distance) P-C4' energy: -33.003
flat angles C4'-P-C4' energy: -37.577
flat angles P-C4'-P energy: -25.321
tors. eta vs tors. theta energy: -53.510
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: 10
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -528.381356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.381356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.381356 (E_RNA)
where:
Base-Base interactions energy: -360.704
where: short stacking energy: -157.431
Base-Backbone interact. energy: -0.996
local terms energy: -166.681755
where:
bonds (distance) C4'-P energy: -32.979
bonds (distance) P-C4' energy: -33.338
flat angles C4'-P-C4' energy: -28.661
flat angles P-C4'-P energy: -24.037
tors. eta vs tors. theta energy: -47.666
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: 2
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -508.335543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.335543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.335543 (E_RNA)
where:
Base-Base interactions energy: -347.853
where: short stacking energy: -151.796
Base-Backbone interact. energy: -0.227
local terms energy: -160.255431
where:
bonds (distance) C4'-P energy: -32.031
bonds (distance) P-C4' energy: -31.991
flat angles C4'-P-C4' energy: -30.215
flat angles P-C4'-P energy: -19.057
tors. eta vs tors. theta energy: -46.961
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: 4, replica: 7
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -453.766416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.766416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.766416 (E_RNA)
where:
Base-Base interactions energy: -308.018
where: short stacking energy: -140.447
Base-Backbone interact. energy: -0.716
local terms energy: -145.033031
where:
bonds (distance) C4'-P energy: -27.325
bonds (distance) P-C4' energy: -28.824
flat angles C4'-P-C4' energy: -30.795
flat angles P-C4'-P energy: -21.962
tors. eta vs tors. theta energy: -36.126
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: 1
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -446.595054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.595054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.595054 (E_RNA)
where:
Base-Base interactions energy: -297.658
where: short stacking energy: -131.831
Base-Backbone interact. energy: -0.783
local terms energy: -148.153624
where:
bonds (distance) C4'-P energy: -27.923
bonds (distance) P-C4' energy: -32.100
flat angles C4'-P-C4' energy: -29.302
flat angles P-C4'-P energy: -14.772
tors. eta vs tors. theta energy: -44.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -337.355355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.355355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.355355 (E_RNA)
where:
Base-Base interactions energy: -208.668
where: short stacking energy: -84.166
Base-Backbone interact. energy: -1.113
local terms energy: -127.574314
where:
bonds (distance) C4'-P energy: -25.974
bonds (distance) P-C4' energy: -32.942
flat angles C4'-P-C4' energy: -30.254
flat angles P-C4'-P energy: -21.053
tors. eta vs tors. theta energy: -17.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -357.009047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.009047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.009047 (E_RNA)
where:
Base-Base interactions energy: -221.648
where: short stacking energy: -105.108
Base-Backbone interact. energy: -0.128
local terms energy: -135.232280
where:
bonds (distance) C4'-P energy: -28.994
bonds (distance) P-C4' energy: -26.922
flat angles C4'-P-C4' energy: -28.689
flat angles P-C4'-P energy: -24.329
tors. eta vs tors. theta energy: -26.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -280.679759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.679759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.679759 (E_RNA)
where:
Base-Base interactions energy: -164.783
where: short stacking energy: -93.097
Base-Backbone interact. energy: -0.323
local terms energy: -115.573520
where:
bonds (distance) C4'-P energy: -27.880
bonds (distance) P-C4' energy: -35.336
flat angles C4'-P-C4' energy: -23.400
flat angles P-C4'-P energy: -13.731
tors. eta vs tors. theta energy: -15.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -195.319182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.319182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.319182 (E_RNA)
where:
Base-Base interactions energy: -93.838
where: short stacking energy: -64.675
Base-Backbone interact. energy: -1.444
local terms energy: -100.036648
where:
bonds (distance) C4'-P energy: -27.418
bonds (distance) P-C4' energy: -32.046
flat angles C4'-P-C4' energy: -27.979
flat angles P-C4'-P energy: -7.451
tors. eta vs tors. theta energy: -5.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -157.041979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.041979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.041979 (E_RNA)
where:
Base-Base interactions energy: -62.479
where: short stacking energy: -44.323
Base-Backbone interact. energy: -0.278
local terms energy: -94.284896
where:
bonds (distance) C4'-P energy: -32.284
bonds (distance) P-C4' energy: -30.414
flat angles C4'-P-C4' energy: -21.340
flat angles P-C4'-P energy: -14.521
tors. eta vs tors. theta energy: 4.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -547.374151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.374151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.374151 (E_RNA)
where:
Base-Base interactions energy: -371.821
where: short stacking energy: -175.427
Base-Backbone interact. energy: -0.559
local terms energy: -174.994500
where:
bonds (distance) C4'-P energy: -29.160
bonds (distance) P-C4' energy: -37.787
flat angles C4'-P-C4' energy: -36.357
flat angles P-C4'-P energy: -21.523
tors. eta vs tors. theta energy: -50.167
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: 310
Temperature: 0.950000
Total energy: -536.124673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.124673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.124673 (E_RNA)
where:
Base-Base interactions energy: -370.013
where: short stacking energy: -162.686
Base-Backbone interact. energy: 0.012
local terms energy: -166.123418
where:
bonds (distance) C4'-P energy: -27.367
bonds (distance) P-C4' energy: -34.917
flat angles C4'-P-C4' energy: -35.529
flat angles P-C4'-P energy: -23.559
tors. eta vs tors. theta energy: -44.752
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: 3, replica: 2
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -507.321728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.321728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.321728 (E_RNA)
where:
Base-Base interactions energy: -344.154
where: short stacking energy: -156.661
Base-Backbone interact. energy: -0.876
local terms energy: -162.291579
where:
bonds (distance) C4'-P energy: -33.558
bonds (distance) P-C4' energy: -26.952
flat angles C4'-P-C4' energy: -29.975
flat angles P-C4'-P energy: -27.835
tors. eta vs tors. theta energy: -43.972
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: 4, replica: 7
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -430.655804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.655804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.655804 (E_RNA)
where:
Base-Base interactions energy: -296.002
where: short stacking energy: -150.740
Base-Backbone interact. energy: 1.084
local terms energy: -135.737446
where:
bonds (distance) C4'-P energy: -19.293
bonds (distance) P-C4' energy: -26.960
flat angles C4'-P-C4' energy: -28.555
flat angles P-C4'-P energy: -19.428
tors. eta vs tors. theta energy: -41.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -438.469535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.469535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.469535 (E_RNA)
where:
Base-Base interactions energy: -283.789
where: short stacking energy: -137.170
Base-Backbone interact. energy: 1.303
local terms energy: -155.983114
where:
bonds (distance) C4'-P energy: -31.098
bonds (distance) P-C4' energy: -27.668
flat angles C4'-P-C4' energy: -34.053
flat angles P-C4'-P energy: -22.996
tors. eta vs tors. theta energy: -40.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -402.209308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.209308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.209308 (E_RNA)
where:
Base-Base interactions energy: -281.694
where: short stacking energy: -127.922
Base-Backbone interact. energy: 1.027
local terms energy: -121.542867
where:
bonds (distance) C4'-P energy: -24.873
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -34.755
flat angles P-C4'-P energy: -15.961
tors. eta vs tors. theta energy: -29.205
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: 7, replica: 5
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -347.278198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.278198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.278198 (E_RNA)
where:
Base-Base interactions energy: -217.664
where: short stacking energy: -112.271
Base-Backbone interact. energy: 0.050
local terms energy: -129.663817
where:
bonds (distance) C4'-P energy: -27.073
bonds (distance) P-C4' energy: -33.840
flat angles C4'-P-C4' energy: -22.492
flat angles P-C4'-P energy: -15.440
tors. eta vs tors. theta energy: -30.819
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: 8
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -323.059724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.059724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.059724 (E_RNA)
where:
Base-Base interactions energy: -191.116
where: short stacking energy: -91.045
Base-Backbone interact. energy: -0.081
local terms energy: -131.863462
where:
bonds (distance) C4'-P energy: -32.258
bonds (distance) P-C4' energy: -27.996
flat angles C4'-P-C4' energy: -30.650
flat angles P-C4'-P energy: -17.644
tors. eta vs tors. theta energy: -23.316
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: 4
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -162.208863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.208863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.208863 (E_RNA)
where:
Base-Base interactions energy: -62.809
where: short stacking energy: -61.388
Base-Backbone interact. energy: -0.433
local terms energy: -98.966967
where:
bonds (distance) C4'-P energy: -25.391
bonds (distance) P-C4' energy: -27.696
flat angles C4'-P-C4' energy: -27.429
flat angles P-C4'-P energy: -13.454
tors. eta vs tors. theta energy: -4.998
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: 310
Temperature: 1.350000
Total energy: -149.153975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.153975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.153975 (E_RNA)
where:
Base-Base interactions energy: -59.629
where: short stacking energy: -52.303
Base-Backbone interact. energy: -0.711
local terms energy: -88.814384
where:
bonds (distance) C4'-P energy: -31.467
bonds (distance) P-C4' energy: -29.020
flat angles C4'-P-C4' energy: -24.694
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: 6.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -538.185472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.185472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.185472 (E_RNA)
where:
Base-Base interactions energy: -363.200
where: short stacking energy: -163.316
Base-Backbone interact. energy: -0.730
local terms energy: -174.255244
where:
bonds (distance) C4'-P energy: -31.171
bonds (distance) P-C4' energy: -36.478
flat angles C4'-P-C4' energy: -35.420
flat angles P-C4'-P energy: -26.335
tors. eta vs tors. theta energy: -44.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -531.346504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.346504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.346504 (E_RNA)
where:
Base-Base interactions energy: -358.369
where: short stacking energy: -154.220
Base-Backbone interact. energy: -1.520
local terms energy: -171.457750
where:
bonds (distance) C4'-P energy: -34.399
bonds (distance) P-C4' energy: -33.083
flat angles C4'-P-C4' energy: -34.428
flat angles P-C4'-P energy: -25.728
tors. eta vs tors. theta energy: -43.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -503.905368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.905368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.905368 (E_RNA)
where:
Base-Base interactions energy: -351.364
where: short stacking energy: -156.895
Base-Backbone interact. energy: -0.231
local terms energy: -152.311121
where:
bonds (distance) C4'-P energy: -30.409
bonds (distance) P-C4' energy: -32.563
flat angles C4'-P-C4' energy: -29.355
flat angles P-C4'-P energy: -16.129
tors. eta vs tors. theta energy: -43.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -431.393033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.393033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.393033 (E_RNA)
where:
Base-Base interactions energy: -292.081
where: short stacking energy: -137.344
Base-Backbone interact. energy: -1.042
local terms energy: -138.269537
where:
bonds (distance) C4'-P energy: -24.847
bonds (distance) P-C4' energy: -31.361
flat angles C4'-P-C4' energy: -31.659
flat angles P-C4'-P energy: -17.940
tors. eta vs tors. theta energy: -32.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -430.126568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.126568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.126568 (E_RNA)
where:
Base-Base interactions energy: -296.420
where: short stacking energy: -139.449
Base-Backbone interact. energy: -1.174
local terms energy: -132.532259
where:
bonds (distance) C4'-P energy: -24.725
bonds (distance) P-C4' energy: -24.394
flat angles C4'-P-C4' energy: -26.378
flat angles P-C4'-P energy: -20.830
tors. eta vs tors. theta energy: -36.206
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: 311
Temperature: 1.150000
Total energy: -412.572001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.572001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.572001 (E_RNA)
where:
Base-Base interactions energy: -282.470
where: short stacking energy: -122.308
Base-Backbone interact. energy: -1.699
local terms energy: -128.402911
where:
bonds (distance) C4'-P energy: -20.274
bonds (distance) P-C4' energy: -28.828
flat angles C4'-P-C4' energy: -31.957
flat angles P-C4'-P energy: -17.224
tors. eta vs tors. theta energy: -30.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -329.724881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.724881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.724881 (E_RNA)
where:
Base-Base interactions energy: -207.671
where: short stacking energy: -110.550
Base-Backbone interact. energy: -0.256
local terms energy: -121.797771
where:
bonds (distance) C4'-P energy: -28.705
bonds (distance) P-C4' energy: -26.981
flat angles C4'-P-C4' energy: -30.650
flat angles P-C4'-P energy: -14.052
tors. eta vs tors. theta energy: -21.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -372.756016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.756016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.756016 (E_RNA)
where:
Base-Base interactions energy: -238.616
where: short stacking energy: -103.191
Base-Backbone interact. energy: -0.818
local terms energy: -133.322056
where:
bonds (distance) C4'-P energy: -33.807
bonds (distance) P-C4' energy: -25.441
flat angles C4'-P-C4' energy: -29.536
flat angles P-C4'-P energy: -17.135
tors. eta vs tors. theta energy: -27.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -154.929390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.929390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.929390 (E_RNA)
where:
Base-Base interactions energy: -56.390
where: short stacking energy: -55.477
Base-Backbone interact. energy: 0.929
local terms energy: -99.468533
where:
bonds (distance) C4'-P energy: -25.185
bonds (distance) P-C4' energy: -34.810
flat angles C4'-P-C4' energy: -28.887
flat angles P-C4'-P energy: -5.352
tors. eta vs tors. theta energy: -5.234
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: 10, replica: 9
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -160.954355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.954355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.954355 (E_RNA)
where:
Base-Base interactions energy: -62.919
where: short stacking energy: -45.393
Base-Backbone interact. energy: -0.053
local terms energy: -97.982290
where:
bonds (distance) C4'-P energy: -27.502
bonds (distance) P-C4' energy: -27.694
flat angles C4'-P-C4' energy: -25.594
flat angles P-C4'-P energy: -17.533
tors. eta vs tors. theta energy: 0.340
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: 10
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -541.244327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.244327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.244327 (E_RNA)
where:
Base-Base interactions energy: -373.693
where: short stacking energy: -167.964
Base-Backbone interact. energy: -1.320
local terms energy: -166.230417
where:
bonds (distance) C4'-P energy: -25.584
bonds (distance) P-C4' energy: -34.159
flat angles C4'-P-C4' energy: -34.069
flat angles P-C4'-P energy: -22.378
tors. eta vs tors. theta energy: -50.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -535.776605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.776605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.776605 (E_RNA)
where:
Base-Base interactions energy: -378.243
where: short stacking energy: -168.046
Base-Backbone interact. energy: -0.202
local terms energy: -157.331811
where:
bonds (distance) C4'-P energy: -34.306
bonds (distance) P-C4' energy: -25.765
flat angles C4'-P-C4' energy: -30.714
flat angles P-C4'-P energy: -18.824
tors. eta vs tors. theta energy: -47.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -505.520205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.520205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.520205 (E_RNA)
where:
Base-Base interactions energy: -347.447
where: short stacking energy: -152.285
Base-Backbone interact. energy: -1.837
local terms energy: -156.235609
where:
bonds (distance) C4'-P energy: -26.338
bonds (distance) P-C4' energy: -31.446
flat angles C4'-P-C4' energy: -32.742
flat angles P-C4'-P energy: -24.501
tors. eta vs tors. theta energy: -41.209
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: 4, replica: 1
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -441.053818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.053818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.053818 (E_RNA)
where:
Base-Base interactions energy: -296.270
where: short stacking energy: -146.920
Base-Backbone interact. energy: -0.344
local terms energy: -144.440388
where:
bonds (distance) C4'-P energy: -27.667
bonds (distance) P-C4' energy: -23.559
flat angles C4'-P-C4' energy: -36.261
flat angles P-C4'-P energy: -20.990
tors. eta vs tors. theta energy: -35.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -400.777676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.777676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.777676 (E_RNA)
where:
Base-Base interactions energy: -258.844
where: short stacking energy: -112.129
Base-Backbone interact. energy: -1.102
local terms energy: -140.831852
where:
bonds (distance) C4'-P energy: -26.211
bonds (distance) P-C4' energy: -31.428
flat angles C4'-P-C4' energy: -31.552
flat angles P-C4'-P energy: -19.600
tors. eta vs tors. theta energy: -32.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -425.389019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.389019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.389019 (E_RNA)
where:
Base-Base interactions energy: -284.373
where: short stacking energy: -135.721
Base-Backbone interact. energy: -0.941
local terms energy: -140.075109
where:
bonds (distance) C4'-P energy: -32.805
bonds (distance) P-C4' energy: -32.415
flat angles C4'-P-C4' energy: -25.009
flat angles P-C4'-P energy: -18.554
tors. eta vs tors. theta energy: -31.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -339.194405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.194405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.194405 (E_RNA)
where:
Base-Base interactions energy: -203.731
where: short stacking energy: -101.515
Base-Backbone interact. energy: -1.333
local terms energy: -134.130943
where:
bonds (distance) C4'-P energy: -19.240
bonds (distance) P-C4' energy: -31.521
flat angles C4'-P-C4' energy: -29.146
flat angles P-C4'-P energy: -22.566
tors. eta vs tors. theta energy: -31.658
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: 8
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -334.713897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.713897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.713897 (E_RNA)
where:
Base-Base interactions energy: -226.687
where: short stacking energy: -102.514
Base-Backbone interact. energy: -0.760
local terms energy: -107.266924
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -22.611
flat angles C4'-P-C4' energy: -24.688
flat angles P-C4'-P energy: -15.324
tors. eta vs tors. theta energy: -28.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -150.604630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.604630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.604630 (E_RNA)
where:
Base-Base interactions energy: -53.391
where: short stacking energy: -52.748
Base-Backbone interact. energy: 0.511
local terms energy: -97.724917
where:
bonds (distance) C4'-P energy: -24.787
bonds (distance) P-C4' energy: -28.456
flat angles C4'-P-C4' energy: -27.829
flat angles P-C4'-P energy: -12.801
tors. eta vs tors. theta energy: -3.853
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: 312
Temperature: 1.350000
Total energy: -155.870656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.870656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.870656 (E_RNA)
where:
Base-Base interactions energy: -70.632
where: short stacking energy: -40.857
Base-Backbone interact. energy: -1.360
local terms energy: -83.879316
where:
bonds (distance) C4'-P energy: -32.275
bonds (distance) P-C4' energy: -20.268
flat angles C4'-P-C4' energy: -19.844
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: 1.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -532.958672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.958672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.958672 (E_RNA)
where:
Base-Base interactions energy: -364.264
where: short stacking energy: -164.760
Base-Backbone interact. energy: -1.206
local terms energy: -167.488901
where:
bonds (distance) C4'-P energy: -30.864
bonds (distance) P-C4' energy: -32.844
flat angles C4'-P-C4' energy: -35.516
flat angles P-C4'-P energy: -20.848
tors. eta vs tors. theta energy: -47.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -531.843530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.843530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.843530 (E_RNA)
where:
Base-Base interactions energy: -367.372
where: short stacking energy: -171.186
Base-Backbone interact. energy: -0.101
local terms energy: -164.370644
where:
bonds (distance) C4'-P energy: -30.818
bonds (distance) P-C4' energy: -31.047
flat angles C4'-P-C4' energy: -31.911
flat angles P-C4'-P energy: -24.110
tors. eta vs tors. theta energy: -46.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -516.528651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.528651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.528651 (E_RNA)
where:
Base-Base interactions energy: -351.383
where: short stacking energy: -160.289
Base-Backbone interact. energy: -0.362
local terms energy: -164.783086
where:
bonds (distance) C4'-P energy: -27.898
bonds (distance) P-C4' energy: -34.672
flat angles C4'-P-C4' energy: -36.716
flat angles P-C4'-P energy: -19.929
tors. eta vs tors. theta energy: -45.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -436.972489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.972489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.972489 (E_RNA)
where:
Base-Base interactions energy: -286.348
where: short stacking energy: -136.137
Base-Backbone interact. energy: -0.825
local terms energy: -149.799682
where:
bonds (distance) C4'-P energy: -26.007
bonds (distance) P-C4' energy: -33.242
flat angles C4'-P-C4' energy: -35.865
flat angles P-C4'-P energy: -22.511
tors. eta vs tors. theta energy: -32.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -439.310405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.310405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.310405 (E_RNA)
where:
Base-Base interactions energy: -283.770
where: short stacking energy: -115.266
Base-Backbone interact. energy: -2.241
local terms energy: -153.299350
where:
bonds (distance) C4'-P energy: -33.482
bonds (distance) P-C4' energy: -36.720
flat angles C4'-P-C4' energy: -29.220
flat angles P-C4'-P energy: -19.757
tors. eta vs tors. theta energy: -34.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -414.516943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.516943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.516943 (E_RNA)
where:
Base-Base interactions energy: -275.792
where: short stacking energy: -122.263
Base-Backbone interact. energy: -0.876
local terms energy: -137.849333
where:
bonds (distance) C4'-P energy: -22.872
bonds (distance) P-C4' energy: -29.675
flat angles C4'-P-C4' energy: -26.431
flat angles P-C4'-P energy: -20.733
tors. eta vs tors. theta energy: -38.138
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: 5
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -327.169969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.169969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.169969 (E_RNA)
where:
Base-Base interactions energy: -199.657
where: short stacking energy: -99.276
Base-Backbone interact. energy: -0.295
local terms energy: -127.218339
where:
bonds (distance) C4'-P energy: -25.625
bonds (distance) P-C4' energy: -30.660
flat angles C4'-P-C4' energy: -25.208
flat angles P-C4'-P energy: -18.723
tors. eta vs tors. theta energy: -27.003
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: 8
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -312.255864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.255864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.255864 (E_RNA)
where:
Base-Base interactions energy: -197.901
where: short stacking energy: -90.339
Base-Backbone interact. energy: -0.388
local terms energy: -113.966534
where:
bonds (distance) C4'-P energy: -26.828
bonds (distance) P-C4' energy: -27.784
flat angles C4'-P-C4' energy: -24.880
flat angles P-C4'-P energy: -18.192
tors. eta vs tors. theta energy: -16.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -156.599705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.599705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.599705 (E_RNA)
where:
Base-Base interactions energy: -51.211
where: short stacking energy: -44.953
Base-Backbone interact. energy: -0.126
local terms energy: -105.262453
where:
bonds (distance) C4'-P energy: -26.158
bonds (distance) P-C4' energy: -30.040
flat angles C4'-P-C4' energy: -23.372
flat angles P-C4'-P energy: -22.911
tors. eta vs tors. theta energy: -2.782
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: 313
Temperature: 1.350000
Total energy: -163.705021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.705021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.705021 (E_RNA)
where:
Base-Base interactions energy: -64.004
where: short stacking energy: -56.967
Base-Backbone interact. energy: 0.006
local terms energy: -99.706758
where:
bonds (distance) C4'-P energy: -23.204
bonds (distance) P-C4' energy: -34.054
flat angles C4'-P-C4' energy: -28.330
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -4.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -549.666385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.666385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.666385 (E_RNA)
where:
Base-Base interactions energy: -379.055
where: short stacking energy: -171.387
Base-Backbone interact. energy: -0.539
local terms energy: -170.072537
where:
bonds (distance) C4'-P energy: -28.003
bonds (distance) P-C4' energy: -28.481
flat angles C4'-P-C4' energy: -37.722
flat angles P-C4'-P energy: -25.075
tors. eta vs tors. theta energy: -50.792
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: 314
Temperature: 0.950000
Total energy: -514.951500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.951500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.951500 (E_RNA)
where:
Base-Base interactions energy: -353.607
where: short stacking energy: -160.696
Base-Backbone interact. energy: -0.261
local terms energy: -161.083457
where:
bonds (distance) C4'-P energy: -33.410
bonds (distance) P-C4' energy: -31.227
flat angles C4'-P-C4' energy: -28.767
flat angles P-C4'-P energy: -19.805
tors. eta vs tors. theta energy: -47.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -497.032762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.032762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.032762 (E_RNA)
where:
Base-Base interactions energy: -346.777
where: short stacking energy: -158.007
Base-Backbone interact. energy: -0.696
local terms energy: -149.560172
where:
bonds (distance) C4'-P energy: -22.808
bonds (distance) P-C4' energy: -27.654
flat angles C4'-P-C4' energy: -31.726
flat angles P-C4'-P energy: -24.453
tors. eta vs tors. theta energy: -42.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -436.582592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.582592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.582592 (E_RNA)
where:
Base-Base interactions energy: -299.988
where: short stacking energy: -129.886
Base-Backbone interact. energy: -2.226
local terms energy: -134.368616
where:
bonds (distance) C4'-P energy: -23.430
bonds (distance) P-C4' energy: -31.130
flat angles C4'-P-C4' energy: -27.414
flat angles P-C4'-P energy: -19.452
tors. eta vs tors. theta energy: -32.943
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: 7
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -410.419832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.419832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.419832 (E_RNA)
where:
Base-Base interactions energy: -271.189
where: short stacking energy: -122.650
Base-Backbone interact. energy: -0.502
local terms energy: -138.728412
where:
bonds (distance) C4'-P energy: -31.314
bonds (distance) P-C4' energy: -31.261
flat angles C4'-P-C4' energy: -30.935
flat angles P-C4'-P energy: -18.308
tors. eta vs tors. theta energy: -26.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -409.605413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.605413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.605413 (E_RNA)
where:
Base-Base interactions energy: -254.485
where: short stacking energy: -116.707
Base-Backbone interact. energy: -0.863
local terms energy: -154.256923
where:
bonds (distance) C4'-P energy: -31.527
bonds (distance) P-C4' energy: -33.850
flat angles C4'-P-C4' energy: -32.087
flat angles P-C4'-P energy: -23.006
tors. eta vs tors. theta energy: -33.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -324.388359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.388359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.388359 (E_RNA)
where:
Base-Base interactions energy: -204.173
where: short stacking energy: -113.543
Base-Backbone interact. energy: -0.269
local terms energy: -119.945890
where:
bonds (distance) C4'-P energy: -32.243
bonds (distance) P-C4' energy: -27.639
flat angles C4'-P-C4' energy: -27.613
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -20.904
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: 8, replica: 5
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -335.138555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.138555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.138555 (E_RNA)
where:
Base-Base interactions energy: -222.048
where: short stacking energy: -111.697
Base-Backbone interact. energy: -0.270
local terms energy: -112.820852
where:
bonds (distance) C4'-P energy: -25.693
bonds (distance) P-C4' energy: -16.595
flat angles C4'-P-C4' energy: -28.047
flat angles P-C4'-P energy: -20.806
tors. eta vs tors. theta energy: -21.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -161.524178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.524178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.524178 (E_RNA)
where:
Base-Base interactions energy: -63.948
where: short stacking energy: -56.561
Base-Backbone interact. energy: 2.868
local terms energy: -100.443438
where:
bonds (distance) C4'-P energy: -19.555
bonds (distance) P-C4' energy: -31.591
flat angles C4'-P-C4' energy: -27.812
flat angles P-C4'-P energy: -17.492
tors. eta vs tors. theta energy: -3.994
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: 9
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -149.404294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.404294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.404294 (E_RNA)
where:
Base-Base interactions energy: -57.816
where: short stacking energy: -44.136
Base-Backbone interact. energy: 2.260
local terms energy: -93.848278
where:
bonds (distance) C4'-P energy: -20.390
bonds (distance) P-C4' energy: -30.904
flat angles C4'-P-C4' energy: -25.312
flat angles P-C4'-P energy: -17.558
tors. eta vs tors. theta energy: 0.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -543.614624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.614624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.614624 (E_RNA)
where:
Base-Base interactions energy: -383.173
where: short stacking energy: -181.505
Base-Backbone interact. energy: -0.102
local terms energy: -160.340053
where:
bonds (distance) C4'-P energy: -29.106
bonds (distance) P-C4' energy: -27.709
flat angles C4'-P-C4' energy: -34.582
flat angles P-C4'-P energy: -20.080
tors. eta vs tors. theta energy: -48.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -519.412721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.412721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.412721 (E_RNA)
where:
Base-Base interactions energy: -357.424
where: short stacking energy: -150.402
Base-Backbone interact. energy: -0.230
local terms energy: -161.759036
where:
bonds (distance) C4'-P energy: -27.531
bonds (distance) P-C4' energy: -29.976
flat angles C4'-P-C4' energy: -35.578
flat angles P-C4'-P energy: -23.310
tors. eta vs tors. theta energy: -45.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -500.314388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.314388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.314388 (E_RNA)
where:
Base-Base interactions energy: -338.464
where: short stacking energy: -150.336
Base-Backbone interact. energy: -0.968
local terms energy: -160.881521
where:
bonds (distance) C4'-P energy: -28.393
bonds (distance) P-C4' energy: -27.053
flat angles C4'-P-C4' energy: -36.084
flat angles P-C4'-P energy: -28.142
tors. eta vs tors. theta energy: -41.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -426.382331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.382331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.382331 (E_RNA)
where:
Base-Base interactions energy: -280.292
where: short stacking energy: -125.655
Base-Backbone interact. energy: -1.514
local terms energy: -144.576936
where:
bonds (distance) C4'-P energy: -24.494
bonds (distance) P-C4' energy: -34.386
flat angles C4'-P-C4' energy: -31.686
flat angles P-C4'-P energy: -16.321
tors. eta vs tors. theta energy: -37.689
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: 7
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -419.312156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.312156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.312156 (E_RNA)
where:
Base-Base interactions energy: -274.713
where: short stacking energy: -123.067
Base-Backbone interact. energy: -1.526
local terms energy: -143.073401
where:
bonds (distance) C4'-P energy: -30.236
bonds (distance) P-C4' energy: -28.190
flat angles C4'-P-C4' energy: -33.956
flat angles P-C4'-P energy: -17.975
tors. eta vs tors. theta energy: -32.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -432.465975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.465975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.465975 (E_RNA)
where:
Base-Base interactions energy: -284.044
where: short stacking energy: -135.125
Base-Backbone interact. energy: -1.199
local terms energy: -147.223053
where:
bonds (distance) C4'-P energy: -20.102
bonds (distance) P-C4' energy: -32.440
flat angles C4'-P-C4' energy: -36.411
flat angles P-C4'-P energy: -21.555
tors. eta vs tors. theta energy: -36.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -325.459499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.459499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.459499 (E_RNA)
where:
Base-Base interactions energy: -217.406
where: short stacking energy: -109.221
Base-Backbone interact. energy: -0.964
local terms energy: -107.089762
where:
bonds (distance) C4'-P energy: -23.466
bonds (distance) P-C4' energy: -21.010
flat angles C4'-P-C4' energy: -26.120
flat angles P-C4'-P energy: -15.560
tors. eta vs tors. theta energy: -20.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -321.216551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.216551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.216551 (E_RNA)
where:
Base-Base interactions energy: -194.939
where: short stacking energy: -100.707
Base-Backbone interact. energy: -0.841
local terms energy: -125.436330
where:
bonds (distance) C4'-P energy: -29.705
bonds (distance) P-C4' energy: -30.537
flat angles C4'-P-C4' energy: -29.137
flat angles P-C4'-P energy: -12.347
tors. eta vs tors. theta energy: -23.710
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: 9, replica: 4
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -160.068730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.068730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.068730 (E_RNA)
where:
Base-Base interactions energy: -62.605
where: short stacking energy: -55.333
Base-Backbone interact. energy: -0.894
local terms energy: -96.569402
where:
bonds (distance) C4'-P energy: -17.680
bonds (distance) P-C4' energy: -32.390
flat angles C4'-P-C4' energy: -24.731
flat angles P-C4'-P energy: -19.463
tors. eta vs tors. theta energy: -2.305
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: 9
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -195.298556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.298556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.298556 (E_RNA)
where:
Base-Base interactions energy: -97.552
where: short stacking energy: -58.643
Base-Backbone interact. energy: 0.405
local terms energy: -98.151273
where:
bonds (distance) C4'-P energy: -27.185
bonds (distance) P-C4' energy: -25.923
flat angles C4'-P-C4' energy: -21.556
flat angles P-C4'-P energy: -15.927
tors. eta vs tors. theta energy: -7.560
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: 6
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -550.446845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.446845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.446845 (E_RNA)
where:
Base-Base interactions energy: -369.319
where: short stacking energy: -175.558
Base-Backbone interact. energy: -0.087
local terms energy: -181.040811
where:
bonds (distance) C4'-P energy: -33.758
bonds (distance) P-C4' energy: -34.374
flat angles C4'-P-C4' energy: -35.972
flat angles P-C4'-P energy: -27.699
tors. eta vs tors. theta energy: -49.237
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: 2
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -524.238091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.238091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.238091 (E_RNA)
where:
Base-Base interactions energy: -352.099
where: short stacking energy: -155.235
Base-Backbone interact. energy: -1.356
local terms energy: -170.782774
where:
bonds (distance) C4'-P energy: -31.327
bonds (distance) P-C4' energy: -31.401
flat angles C4'-P-C4' energy: -36.276
flat angles P-C4'-P energy: -24.069
tors. eta vs tors. theta energy: -47.710
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: 316
Temperature: 1.000000
Total energy: -505.515738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.515738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.515738 (E_RNA)
where:
Base-Base interactions energy: -341.027
where: short stacking energy: -154.265
Base-Backbone interact. energy: -2.007
local terms energy: -162.481848
where:
bonds (distance) C4'-P energy: -38.419
bonds (distance) P-C4' energy: -30.691
flat angles C4'-P-C4' energy: -30.777
flat angles P-C4'-P energy: -19.438
tors. eta vs tors. theta energy: -43.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -445.506532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.506532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.506532 (E_RNA)
where:
Base-Base interactions energy: -287.268
where: short stacking energy: -143.921
Base-Backbone interact. energy: -1.472
local terms energy: -156.765800
where:
bonds (distance) C4'-P energy: -31.491
bonds (distance) P-C4' energy: -31.161
flat angles C4'-P-C4' energy: -30.610
flat angles P-C4'-P energy: -18.300
tors. eta vs tors. theta energy: -45.203
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: 316
Temperature: 1.100000
Total energy: -416.187585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.187585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.187585 (E_RNA)
where:
Base-Base interactions energy: -270.890
where: short stacking energy: -131.666
Base-Backbone interact. energy: 1.936
local terms energy: -147.233599
where:
bonds (distance) C4'-P energy: -32.402
bonds (distance) P-C4' energy: -25.371
flat angles C4'-P-C4' energy: -31.556
flat angles P-C4'-P energy: -23.207
tors. eta vs tors. theta energy: -34.698
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: 7
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -373.520003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.520003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.520003 (E_RNA)
where:
Base-Base interactions energy: -251.200
where: short stacking energy: -107.731
Base-Backbone interact. energy: -0.578
local terms energy: -121.742261
where:
bonds (distance) C4'-P energy: -20.169
bonds (distance) P-C4' energy: -33.050
flat angles C4'-P-C4' energy: -27.202
flat angles P-C4'-P energy: -18.097
tors. eta vs tors. theta energy: -23.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -331.536534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.536534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.536534 (E_RNA)
where:
Base-Base interactions energy: -206.941
where: short stacking energy: -103.262
Base-Backbone interact. energy: -0.227
local terms energy: -124.368257
where:
bonds (distance) C4'-P energy: -35.348
bonds (distance) P-C4' energy: -33.080
flat angles C4'-P-C4' energy: -30.887
flat angles P-C4'-P energy: -7.539
tors. eta vs tors. theta energy: -17.515
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: 8
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -306.194682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.194682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.194682 (E_RNA)
where:
Base-Base interactions energy: -188.764
where: short stacking energy: -97.972
Base-Backbone interact. energy: 1.405
local terms energy: -118.835706
where:
bonds (distance) C4'-P energy: -26.086
bonds (distance) P-C4' energy: -25.333
flat angles C4'-P-C4' energy: -28.439
flat angles P-C4'-P energy: -25.381
tors. eta vs tors. theta energy: -13.597
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: 9
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -211.759683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.759683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.759683 (E_RNA)
where:
Base-Base interactions energy: -115.879
where: short stacking energy: -66.038
Base-Backbone interact. energy: 2.797
local terms energy: -98.677554
where:
bonds (distance) C4'-P energy: -26.253
bonds (distance) P-C4' energy: -27.175
flat angles C4'-P-C4' energy: -18.901
flat angles P-C4'-P energy: -19.167
tors. eta vs tors. theta energy: -7.182
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: 4
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -149.851448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.851448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.851448 (E_RNA)
where:
Base-Base interactions energy: -51.854
where: short stacking energy: -46.163
Base-Backbone interact. energy: -0.616
local terms energy: -97.381185
where:
bonds (distance) C4'-P energy: -28.389
bonds (distance) P-C4' energy: -33.172
flat angles C4'-P-C4' energy: -20.171
flat angles P-C4'-P energy: -19.863
tors. eta vs tors. theta energy: 4.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -539.074559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.074559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.074559 (E_RNA)
where:
Base-Base interactions energy: -363.137
where: short stacking energy: -174.942
Base-Backbone interact. energy: -0.079
local terms energy: -175.858271
where:
bonds (distance) C4'-P energy: -30.406
bonds (distance) P-C4' energy: -33.920
flat angles C4'-P-C4' energy: -32.109
flat angles P-C4'-P energy: -29.519
tors. eta vs tors. theta energy: -49.903
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: 2, replica: 2
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -528.487064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.487064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.487064 (E_RNA)
where:
Base-Base interactions energy: -358.788
where: short stacking energy: -164.967
Base-Backbone interact. energy: -0.168
local terms energy: -169.531125
where:
bonds (distance) C4'-P energy: -27.190
bonds (distance) P-C4' energy: -32.470
flat angles C4'-P-C4' energy: -33.718
flat angles P-C4'-P energy: -25.770
tors. eta vs tors. theta energy: -50.383
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: 3, replica: 10
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -499.106985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.106985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.106985 (E_RNA)
where:
Base-Base interactions energy: -344.840
where: short stacking energy: -169.014
Base-Backbone interact. energy: -2.136
local terms energy: -152.130354
where:
bonds (distance) C4'-P energy: -35.504
bonds (distance) P-C4' energy: -24.964
flat angles C4'-P-C4' energy: -28.682
flat angles P-C4'-P energy: -21.652
tors. eta vs tors. theta energy: -41.328
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: 1
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -442.505332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.505332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.505332 (E_RNA)
where:
Base-Base interactions energy: -288.128
where: short stacking energy: -137.022
Base-Backbone interact. energy: -3.097
local terms energy: -151.279930
where:
bonds (distance) C4'-P energy: -29.362
bonds (distance) P-C4' energy: -26.090
flat angles C4'-P-C4' energy: -27.611
flat angles P-C4'-P energy: -21.495
tors. eta vs tors. theta energy: -46.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -395.232305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.232305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.232305 (E_RNA)
where:
Base-Base interactions energy: -263.326
where: short stacking energy: -106.252
Base-Backbone interact. energy: -0.703
local terms energy: -131.203074
where:
bonds (distance) C4'-P energy: -27.813
bonds (distance) P-C4' energy: -33.615
flat angles C4'-P-C4' energy: -22.760
flat angles P-C4'-P energy: -20.821
tors. eta vs tors. theta energy: -26.194
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: 7
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -372.775240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.775240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.775240 (E_RNA)
where:
Base-Base interactions energy: -251.645
where: short stacking energy: -89.976
Base-Backbone interact. energy: -1.438
local terms energy: -119.692440
where:
bonds (distance) C4'-P energy: -26.537
bonds (distance) P-C4' energy: -27.921
flat angles C4'-P-C4' energy: -22.949
flat angles P-C4'-P energy: -22.769
tors. eta vs tors. theta energy: -19.517
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: 7, replica: 5
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -319.035890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.035890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.035890 (E_RNA)
where:
Base-Base interactions energy: -189.417
where: short stacking energy: -91.527
Base-Backbone interact. energy: 0.095
local terms energy: -129.713912
where:
bonds (distance) C4'-P energy: -35.814
bonds (distance) P-C4' energy: -28.408
flat angles C4'-P-C4' energy: -30.984
flat angles P-C4'-P energy: -17.007
tors. eta vs tors. theta energy: -17.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -315.809498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.809498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.809498 (E_RNA)
where:
Base-Base interactions energy: -197.232
where: short stacking energy: -96.827
Base-Backbone interact. energy: -0.667
local terms energy: -117.910617
where:
bonds (distance) C4'-P energy: -28.524
bonds (distance) P-C4' energy: -23.466
flat angles C4'-P-C4' energy: -21.192
flat angles P-C4'-P energy: -17.383
tors. eta vs tors. theta energy: -27.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -226.655622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.655622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.655622 (E_RNA)
where:
Base-Base interactions energy: -108.362
where: short stacking energy: -73.018
Base-Backbone interact. energy: -0.846
local terms energy: -117.447489
where:
bonds (distance) C4'-P energy: -27.478
bonds (distance) P-C4' energy: -29.556
flat angles C4'-P-C4' energy: -32.708
flat angles P-C4'-P energy: -16.450
tors. eta vs tors. theta energy: -11.255
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: 4
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -151.323384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.323384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.323384 (E_RNA)
where:
Base-Base interactions energy: -63.785
where: short stacking energy: -62.435
Base-Backbone interact. energy: -0.542
local terms energy: -86.996267
where:
bonds (distance) C4'-P energy: -26.699
bonds (distance) P-C4' energy: -20.706
flat angles C4'-P-C4' energy: -22.425
flat angles P-C4'-P energy: -17.531
tors. eta vs tors. theta energy: 0.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -559.075442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.075442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.075442 (E_RNA)
where:
Base-Base interactions energy: -383.613
where: short stacking energy: -172.122
Base-Backbone interact. energy: -0.075
local terms energy: -175.388186
where:
bonds (distance) C4'-P energy: -32.263
bonds (distance) P-C4' energy: -29.148
flat angles C4'-P-C4' energy: -34.613
flat angles P-C4'-P energy: -29.691
tors. eta vs tors. theta energy: -49.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -539.889682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.889682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.889682 (E_RNA)
where:
Base-Base interactions energy: -367.741
where: short stacking energy: -164.096
Base-Backbone interact. energy: 0.429
local terms energy: -172.577583
where:
bonds (distance) C4'-P energy: -31.918
bonds (distance) P-C4' energy: -34.373
flat angles C4'-P-C4' energy: -34.739
flat angles P-C4'-P energy: -21.218
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: 3, replica: 10
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -508.938480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.938480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.938480 (E_RNA)
where:
Base-Base interactions energy: -344.498
where: short stacking energy: -158.945
Base-Backbone interact. energy: -0.447
local terms energy: -163.993489
where:
bonds (distance) C4'-P energy: -29.191
bonds (distance) P-C4' energy: -33.418
flat angles C4'-P-C4' energy: -31.327
flat angles P-C4'-P energy: -23.331
tors. eta vs tors. theta energy: -46.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -448.848502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.848502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.848502 (E_RNA)
where:
Base-Base interactions energy: -294.340
where: short stacking energy: -147.687
Base-Backbone interact. energy: 1.049
local terms energy: -155.556894
where:
bonds (distance) C4'-P energy: -31.954
bonds (distance) P-C4' energy: -27.766
flat angles C4'-P-C4' energy: -34.248
flat angles P-C4'-P energy: -19.478
tors. eta vs tors. theta energy: -42.110
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: 318
Temperature: 1.100000
Total energy: -416.029170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.029170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.029170 (E_RNA)
where:
Base-Base interactions energy: -274.600
where: short stacking energy: -123.782
Base-Backbone interact. energy: -1.003
local terms energy: -140.425969
where:
bonds (distance) C4'-P energy: -21.154
bonds (distance) P-C4' energy: -29.126
flat angles C4'-P-C4' energy: -33.187
flat angles P-C4'-P energy: -21.589
tors. eta vs tors. theta energy: -35.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -366.776930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.776930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.776930 (E_RNA)
where:
Base-Base interactions energy: -232.179
where: short stacking energy: -101.449
Base-Backbone interact. energy: -1.017
local terms energy: -133.580853
where:
bonds (distance) C4'-P energy: -29.136
bonds (distance) P-C4' energy: -38.679
flat angles C4'-P-C4' energy: -24.634
flat angles P-C4'-P energy: -17.292
tors. eta vs tors. theta energy: -23.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -343.980609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.980609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.980609 (E_RNA)
where:
Base-Base interactions energy: -211.344
where: short stacking energy: -109.656
Base-Backbone interact. energy: -0.218
local terms energy: -132.418292
where:
bonds (distance) C4'-P energy: -24.408
bonds (distance) P-C4' energy: -31.599
flat angles C4'-P-C4' energy: -29.021
flat angles P-C4'-P energy: -21.903
tors. eta vs tors. theta energy: -25.487
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: 8, replica: 5
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -307.761458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.761458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.761458 (E_RNA)
where:
Base-Base interactions energy: -192.782
where: short stacking energy: -96.885
Base-Backbone interact. energy: 0.980
local terms energy: -115.958902
where:
bonds (distance) C4'-P energy: -32.238
bonds (distance) P-C4' energy: -24.468
flat angles C4'-P-C4' energy: -21.561
flat angles P-C4'-P energy: -19.924
tors. eta vs tors. theta energy: -17.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -253.792211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.792211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.792211 (E_RNA)
where:
Base-Base interactions energy: -139.729
where: short stacking energy: -93.955
Base-Backbone interact. energy: 0.497
local terms energy: -114.560073
where:
bonds (distance) C4'-P energy: -28.939
bonds (distance) P-C4' energy: -23.673
flat angles C4'-P-C4' energy: -27.127
flat angles P-C4'-P energy: -13.780
tors. eta vs tors. theta energy: -21.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -151.438721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.438721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.438721 (E_RNA)
where:
Base-Base interactions energy: -59.604
where: short stacking energy: -47.551
Base-Backbone interact. energy: -0.047
local terms energy: -91.787650
where:
bonds (distance) C4'-P energy: -23.083
bonds (distance) P-C4' energy: -28.897
flat angles C4'-P-C4' energy: -25.377
flat angles P-C4'-P energy: -14.370
tors. eta vs tors. theta energy: -0.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -556.141199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.141199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.141199 (E_RNA)
where:
Base-Base interactions energy: -379.663
where: short stacking energy: -157.479
Base-Backbone interact. energy: -0.299
local terms energy: -176.179274
where:
bonds (distance) C4'-P energy: -31.704
bonds (distance) P-C4' energy: -34.010
flat angles C4'-P-C4' energy: -33.399
flat angles P-C4'-P energy: -27.484
tors. eta vs tors. theta energy: -49.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -538.198198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.198198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.198198 (E_RNA)
where:
Base-Base interactions energy: -359.704
where: short stacking energy: -165.521
Base-Backbone interact. energy: -0.329
local terms energy: -178.164850
where:
bonds (distance) C4'-P energy: -34.641
bonds (distance) P-C4' energy: -32.855
flat angles C4'-P-C4' energy: -34.252
flat angles P-C4'-P energy: -24.226
tors. eta vs tors. theta energy: -52.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -480.805626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.805626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.805626 (E_RNA)
where:
Base-Base interactions energy: -331.746
where: short stacking energy: -160.388
Base-Backbone interact. energy: -0.102
local terms energy: -148.958204
where:
bonds (distance) C4'-P energy: -26.054
bonds (distance) P-C4' energy: -25.838
flat angles C4'-P-C4' energy: -27.835
flat angles P-C4'-P energy: -25.351
tors. eta vs tors. theta energy: -43.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -438.867157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.867157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.867157 (E_RNA)
where:
Base-Base interactions energy: -286.093
where: short stacking energy: -132.608
Base-Backbone interact. energy: 0.702
local terms energy: -153.475905
where:
bonds (distance) C4'-P energy: -34.428
bonds (distance) P-C4' energy: -31.875
flat angles C4'-P-C4' energy: -33.044
flat angles P-C4'-P energy: -20.099
tors. eta vs tors. theta energy: -34.029
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: 1
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -449.437846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.437846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.437846 (E_RNA)
where:
Base-Base interactions energy: -294.944
where: short stacking energy: -151.312
Base-Backbone interact. energy: -0.874
local terms energy: -153.620290
where:
bonds (distance) C4'-P energy: -26.733
bonds (distance) P-C4' energy: -29.698
flat angles C4'-P-C4' energy: -36.356
flat angles P-C4'-P energy: -16.280
tors. eta vs tors. theta energy: -44.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -354.342026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.342026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.342026 (E_RNA)
where:
Base-Base interactions energy: -214.336
where: short stacking energy: -116.725
Base-Backbone interact. energy: -0.198
local terms energy: -139.808847
where:
bonds (distance) C4'-P energy: -28.878
bonds (distance) P-C4' energy: -30.922
flat angles C4'-P-C4' energy: -32.976
flat angles P-C4'-P energy: -20.883
tors. eta vs tors. theta energy: -26.150
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: 7
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -344.919250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.919250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.919250 (E_RNA)
where:
Base-Base interactions energy: -222.061
where: short stacking energy: -101.740
Base-Backbone interact. energy: -1.206
local terms energy: -121.652121
where:
bonds (distance) C4'-P energy: -25.941
bonds (distance) P-C4' energy: -27.495
flat angles C4'-P-C4' energy: -25.829
flat angles P-C4'-P energy: -18.151
tors. eta vs tors. theta energy: -24.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -314.479623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.479623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.479623 (E_RNA)
where:
Base-Base interactions energy: -197.532
where: short stacking energy: -102.753
Base-Backbone interact. energy: 0.352
local terms energy: -117.298749
where:
bonds (distance) C4'-P energy: -20.611
bonds (distance) P-C4' energy: -32.439
flat angles C4'-P-C4' energy: -26.202
flat angles P-C4'-P energy: -19.055
tors. eta vs tors. theta energy: -18.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -245.665210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.665210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.665210 (E_RNA)
where:
Base-Base interactions energy: -150.355
where: short stacking energy: -82.725
Base-Backbone interact. energy: 0.503
local terms energy: -95.813090
where:
bonds (distance) C4'-P energy: -26.949
bonds (distance) P-C4' energy: -24.362
flat angles C4'-P-C4' energy: -19.851
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: -12.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -159.679979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.679979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.679979 (E_RNA)
where:
Base-Base interactions energy: -59.232
where: short stacking energy: -55.103
Base-Backbone interact. energy: -0.264
local terms energy: -100.184831
where:
bonds (distance) C4'-P energy: -23.617
bonds (distance) P-C4' energy: -33.605
flat angles C4'-P-C4' energy: -24.408
flat angles P-C4'-P energy: -6.994
tors. eta vs tors. theta energy: -11.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -545.067149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.067149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.067149 (E_RNA)
where:
Base-Base interactions energy: -366.753
where: short stacking energy: -168.843
Base-Backbone interact. energy: -0.012
local terms energy: -178.302152
where:
bonds (distance) C4'-P energy: -27.313
bonds (distance) P-C4' energy: -35.188
flat angles C4'-P-C4' energy: -36.658
flat angles P-C4'-P energy: -23.934
tors. eta vs tors. theta energy: -55.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -533.862291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.862291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.862291 (E_RNA)
where:
Base-Base interactions energy: -361.220
where: short stacking energy: -157.126
Base-Backbone interact. energy: -0.753
local terms energy: -171.889206
where:
bonds (distance) C4'-P energy: -33.049
bonds (distance) P-C4' energy: -30.211
flat angles C4'-P-C4' energy: -33.426
flat angles P-C4'-P energy: -23.757
tors. eta vs tors. theta energy: -51.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -482.290787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.290787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.290787 (E_RNA)
where:
Base-Base interactions energy: -321.860
where: short stacking energy: -146.298
Base-Backbone interact. energy: 0.136
local terms energy: -160.567364
where:
bonds (distance) C4'-P energy: -31.082
bonds (distance) P-C4' energy: -32.954
flat angles C4'-P-C4' energy: -34.177
flat angles P-C4'-P energy: -23.841
tors. eta vs tors. theta energy: -38.513
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: 4, replica: 3
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -436.603089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.603089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.603089 (E_RNA)
where:
Base-Base interactions energy: -283.434
where: short stacking energy: -137.112
Base-Backbone interact. energy: -0.661
local terms energy: -152.508202
where:
bonds (distance) C4'-P energy: -35.405
bonds (distance) P-C4' energy: -28.471
flat angles C4'-P-C4' energy: -32.712
flat angles P-C4'-P energy: -21.978
tors. eta vs tors. theta energy: -33.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -439.006520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.006520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.006520 (E_RNA)
where:
Base-Base interactions energy: -278.522
where: short stacking energy: -129.805
Base-Backbone interact. energy: -0.006
local terms energy: -160.477997
where:
bonds (distance) C4'-P energy: -34.114
bonds (distance) P-C4' energy: -32.723
flat angles C4'-P-C4' energy: -33.018
flat angles P-C4'-P energy: -19.022
tors. eta vs tors. theta energy: -41.602
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: 8
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -364.973660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.973660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.973660 (E_RNA)
where:
Base-Base interactions energy: -219.533
where: short stacking energy: -123.919
Base-Backbone interact. energy: -0.189
local terms energy: -145.251896
where:
bonds (distance) C4'-P energy: -32.557
bonds (distance) P-C4' energy: -34.077
flat angles C4'-P-C4' energy: -31.848
flat angles P-C4'-P energy: -16.569
tors. eta vs tors. theta energy: -30.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -334.235411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.235411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.235411 (E_RNA)
where:
Base-Base interactions energy: -196.419
where: short stacking energy: -100.299
Base-Backbone interact. energy: -0.064
local terms energy: -137.752972
where:
bonds (distance) C4'-P energy: -27.630
bonds (distance) P-C4' energy: -28.453
flat angles C4'-P-C4' energy: -29.592
flat angles P-C4'-P energy: -25.325
tors. eta vs tors. theta energy: -26.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -300.387266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.387266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.387266 (E_RNA)
where:
Base-Base interactions energy: -176.431
where: short stacking energy: -91.994
Base-Backbone interact. energy: -0.439
local terms energy: -123.516448
where:
bonds (distance) C4'-P energy: -29.138
bonds (distance) P-C4' energy: -22.382
flat angles C4'-P-C4' energy: -25.223
flat angles P-C4'-P energy: -22.047
tors. eta vs tors. theta energy: -24.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -232.235674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.235674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.235674 (E_RNA)
where:
Base-Base interactions energy: -117.268
where: short stacking energy: -69.757
Base-Backbone interact. energy: -1.349
local terms energy: -113.618357
where:
bonds (distance) C4'-P energy: -30.652
bonds (distance) P-C4' energy: -36.298
flat angles C4'-P-C4' energy: -26.521
flat angles P-C4'-P energy: -13.099
tors. eta vs tors. theta energy: -7.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -159.094566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.094566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.094566 (E_RNA)
where:
Base-Base interactions energy: -60.878
where: short stacking energy: -52.485
Base-Backbone interact. energy: 0.492
local terms energy: -98.707948
where:
bonds (distance) C4'-P energy: -28.471
bonds (distance) P-C4' energy: -27.765
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -15.633
tors. eta vs tors. theta energy: -12.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -552.140220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.140220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.140220 (E_RNA)
where:
Base-Base interactions energy: -381.830
where: short stacking energy: -167.019
Base-Backbone interact. energy: 0.252
local terms energy: -170.562245
where:
bonds (distance) C4'-P energy: -33.380
bonds (distance) P-C4' energy: -35.433
flat angles C4'-P-C4' energy: -30.470
flat angles P-C4'-P energy: -24.900
tors. eta vs tors. theta energy: -46.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -533.468243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.468243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.468243 (E_RNA)
where:
Base-Base interactions energy: -370.114
where: short stacking energy: -168.186
Base-Backbone interact. energy: 0.614
local terms energy: -163.968326
where:
bonds (distance) C4'-P energy: -23.159
bonds (distance) P-C4' energy: -34.860
flat angles C4'-P-C4' energy: -33.623
flat angles P-C4'-P energy: -24.046
tors. eta vs tors. theta energy: -48.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -504.395817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.395817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.395817 (E_RNA)
where:
Base-Base interactions energy: -340.732
where: short stacking energy: -141.152
Base-Backbone interact. energy: 0.100
local terms energy: -163.764203
where:
bonds (distance) C4'-P energy: -30.477
bonds (distance) P-C4' energy: -33.774
flat angles C4'-P-C4' energy: -36.170
flat angles P-C4'-P energy: -30.046
tors. eta vs tors. theta energy: -33.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -445.226834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.226834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.226834 (E_RNA)
where:
Base-Base interactions energy: -292.142
where: short stacking energy: -131.251
Base-Backbone interact. energy: -0.244
local terms energy: -152.841339
where:
bonds (distance) C4'-P energy: -27.544
bonds (distance) P-C4' energy: -28.175
flat angles C4'-P-C4' energy: -35.313
flat angles P-C4'-P energy: -22.443
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: 5, replica: 3
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -409.510245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.510245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.510245 (E_RNA)
where:
Base-Base interactions energy: -260.608
where: short stacking energy: -116.854
Base-Backbone interact. energy: -0.808
local terms energy: -148.094425
where:
bonds (distance) C4'-P energy: -27.706
bonds (distance) P-C4' energy: -32.250
flat angles C4'-P-C4' energy: -35.768
flat angles P-C4'-P energy: -21.850
tors. eta vs tors. theta energy: -30.520
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: 8
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -336.644821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.644821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.644821 (E_RNA)
where:
Base-Base interactions energy: -204.766
where: short stacking energy: -102.913
Base-Backbone interact. energy: -1.662
local terms energy: -130.217013
where:
bonds (distance) C4'-P energy: -30.255
bonds (distance) P-C4' energy: -35.578
flat angles C4'-P-C4' energy: -24.595
flat angles P-C4'-P energy: -17.273
tors. eta vs tors. theta energy: -22.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -341.142662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.142662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.142662 (E_RNA)
where:
Base-Base interactions energy: -202.099
where: short stacking energy: -109.022
Base-Backbone interact. energy: -0.518
local terms energy: -138.525953
where:
bonds (distance) C4'-P energy: -29.954
bonds (distance) P-C4' energy: -35.903
flat angles C4'-P-C4' energy: -32.061
flat angles P-C4'-P energy: -14.086
tors. eta vs tors. theta energy: -26.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -326.985877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.985877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.985877 (E_RNA)
where:
Base-Base interactions energy: -195.125
where: short stacking energy: -104.601
Base-Backbone interact. energy: -0.518
local terms energy: -131.343562
where:
bonds (distance) C4'-P energy: -26.568
bonds (distance) P-C4' energy: -31.369
flat angles C4'-P-C4' energy: -27.879
flat angles P-C4'-P energy: -21.479
tors. eta vs tors. theta energy: -24.049
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: 9, replica: 9
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -235.262762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.262762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.262762 (E_RNA)
where:
Base-Base interactions energy: -139.170
where: short stacking energy: -76.370
Base-Backbone interact. energy: -0.456
local terms energy: -95.636391
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -30.202
flat angles C4'-P-C4' energy: -27.973
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -14.089
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: 4
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -150.371672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.371672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.371672 (E_RNA)
where:
Base-Base interactions energy: -62.165
where: short stacking energy: -53.015
Base-Backbone interact. energy: 0.269
local terms energy: -88.475153
where:
bonds (distance) C4'-P energy: -20.037
bonds (distance) P-C4' energy: -26.955
flat angles C4'-P-C4' energy: -24.578
flat angles P-C4'-P energy: -19.320
tors. eta vs tors. theta energy: 2.414
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: 6
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -544.578749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.578749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.578749 (E_RNA)
where:
Base-Base interactions energy: -370.631
where: short stacking energy: -166.385
Base-Backbone interact. energy: -1.415
local terms energy: -172.532585
where:
bonds (distance) C4'-P energy: -35.355
bonds (distance) P-C4' energy: -35.177
flat angles C4'-P-C4' energy: -34.480
flat angles P-C4'-P energy: -19.438
tors. eta vs tors. theta energy: -48.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -535.269676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.269676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.269676 (E_RNA)
where:
Base-Base interactions energy: -361.257
where: short stacking energy: -173.450
Base-Backbone interact. energy: -0.908
local terms energy: -173.105300
where:
bonds (distance) C4'-P energy: -27.010
bonds (distance) P-C4' energy: -32.210
flat angles C4'-P-C4' energy: -36.155
flat angles P-C4'-P energy: -25.226
tors. eta vs tors. theta energy: -52.504
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: 322
Temperature: 1.000000
Total energy: -482.818203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.818203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.818203 (E_RNA)
where:
Base-Base interactions energy: -331.970
where: short stacking energy: -145.897
Base-Backbone interact. energy: 1.176
local terms energy: -152.025002
where:
bonds (distance) C4'-P energy: -28.551
bonds (distance) P-C4' energy: -36.943
flat angles C4'-P-C4' energy: -31.933
flat angles P-C4'-P energy: -20.150
tors. eta vs tors. theta energy: -34.448
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: 1
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -454.410890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.410890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.410890 (E_RNA)
where:
Base-Base interactions energy: -309.331
where: short stacking energy: -140.088
Base-Backbone interact. energy: -0.279
local terms energy: -144.800299
where:
bonds (distance) C4'-P energy: -32.769
bonds (distance) P-C4' energy: -23.161
flat angles C4'-P-C4' energy: -29.826
flat angles P-C4'-P energy: -20.457
tors. eta vs tors. theta energy: -38.587
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: 3
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -431.146197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.146197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.146197 (E_RNA)
where:
Base-Base interactions energy: -283.223
where: short stacking energy: -136.749
Base-Backbone interact. energy: -0.507
local terms energy: -147.415966
where:
bonds (distance) C4'-P energy: -35.615
bonds (distance) P-C4' energy: -34.646
flat angles C4'-P-C4' energy: -30.055
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -35.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -337.547592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.547592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.547592 (E_RNA)
where:
Base-Base interactions energy: -195.547
where: short stacking energy: -97.277
Base-Backbone interact. energy: -1.082
local terms energy: -140.918174
where:
bonds (distance) C4'-P energy: -31.774
bonds (distance) P-C4' energy: -30.307
flat angles C4'-P-C4' energy: -30.411
flat angles P-C4'-P energy: -23.053
tors. eta vs tors. theta energy: -25.373
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: 5
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -338.470056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.470056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.470056 (E_RNA)
where:
Base-Base interactions energy: -203.158
where: short stacking energy: -106.938
Base-Backbone interact. energy: 0.889
local terms energy: -136.202014
where:
bonds (distance) C4'-P energy: -30.081
bonds (distance) P-C4' energy: -26.467
flat angles C4'-P-C4' energy: -26.913
flat angles P-C4'-P energy: -21.036
tors. eta vs tors. theta energy: -31.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -318.136643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.136643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.136643 (E_RNA)
where:
Base-Base interactions energy: -197.003
where: short stacking energy: -92.683
Base-Backbone interact. energy: -1.167
local terms energy: -119.966884
where:
bonds (distance) C4'-P energy: -35.910
bonds (distance) P-C4' energy: -26.332
flat angles C4'-P-C4' energy: -27.541
flat angles P-C4'-P energy: -14.447
tors. eta vs tors. theta energy: -15.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -231.458376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.458376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.458376 (E_RNA)
where:
Base-Base interactions energy: -125.861
where: short stacking energy: -62.084
Base-Backbone interact. energy: 0.770
local terms energy: -106.367590
where:
bonds (distance) C4'-P energy: -22.447
bonds (distance) P-C4' energy: -30.242
flat angles C4'-P-C4' energy: -29.908
flat angles P-C4'-P energy: -18.777
tors. eta vs tors. theta energy: -4.993
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: 4
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -155.501696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.501696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.501696 (E_RNA)
where:
Base-Base interactions energy: -61.468
where: short stacking energy: -42.652
Base-Backbone interact. energy: -1.562
local terms energy: -92.471814
where:
bonds (distance) C4'-P energy: -32.929
bonds (distance) P-C4' energy: -27.974
flat angles C4'-P-C4' energy: -19.105
flat angles P-C4'-P energy: -16.092
tors. eta vs tors. theta energy: 3.628
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: 1, replica: 6
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -552.357442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.357442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.357442 (E_RNA)
where:
Base-Base interactions energy: -383.477
where: short stacking energy: -170.340
Base-Backbone interact. energy: -0.255
local terms energy: -168.625055
where:
bonds (distance) C4'-P energy: -31.542
bonds (distance) P-C4' energy: -33.362
flat angles C4'-P-C4' energy: -31.465
flat angles P-C4'-P energy: -24.944
tors. eta vs tors. theta energy: -47.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -535.564318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.564318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.564318 (E_RNA)
where:
Base-Base interactions energy: -358.767
where: short stacking energy: -161.277
Base-Backbone interact. energy: -0.662
local terms energy: -176.135116
where:
bonds (distance) C4'-P energy: -31.889
bonds (distance) P-C4' energy: -36.601
flat angles C4'-P-C4' energy: -37.045
flat angles P-C4'-P energy: -19.842
tors. eta vs tors. theta energy: -50.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -489.011751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.011751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.011751 (E_RNA)
where:
Base-Base interactions energy: -334.332
where: short stacking energy: -155.246
Base-Backbone interact. energy: -0.666
local terms energy: -154.013145
where:
bonds (distance) C4'-P energy: -23.108
bonds (distance) P-C4' energy: -36.140
flat angles C4'-P-C4' energy: -32.461
flat angles P-C4'-P energy: -24.269
tors. eta vs tors. theta energy: -38.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -462.031232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.031232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.031232 (E_RNA)
where:
Base-Base interactions energy: -306.372
where: short stacking energy: -151.301
Base-Backbone interact. energy: -0.728
local terms energy: -154.931820
where:
bonds (distance) C4'-P energy: -32.817
bonds (distance) P-C4' energy: -25.278
flat angles C4'-P-C4' energy: -35.669
flat angles P-C4'-P energy: -15.113
tors. eta vs tors. theta energy: -46.054
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: 5, replica: 3
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -438.560150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.560150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.560150 (E_RNA)
where:
Base-Base interactions energy: -287.629
where: short stacking energy: -136.392
Base-Backbone interact. energy: -0.961
local terms energy: -149.970469
where:
bonds (distance) C4'-P energy: -31.537
bonds (distance) P-C4' energy: -33.864
flat angles C4'-P-C4' energy: -26.155
flat angles P-C4'-P energy: -19.299
tors. eta vs tors. theta energy: -39.116
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: 6, replica: 8
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -355.575024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.575024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.575024 (E_RNA)
where:
Base-Base interactions energy: -236.097
where: short stacking energy: -103.446
Base-Backbone interact. energy: -0.779
local terms energy: -118.698267
where:
bonds (distance) C4'-P energy: -25.555
bonds (distance) P-C4' energy: -28.222
flat angles C4'-P-C4' energy: -32.350
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -20.322
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: 5
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -346.449480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.449480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.449480 (E_RNA)
where:
Base-Base interactions energy: -216.920
where: short stacking energy: -124.632
Base-Backbone interact. energy: -0.476
local terms energy: -129.053143
where:
bonds (distance) C4'-P energy: -21.738
bonds (distance) P-C4' energy: -32.798
flat angles C4'-P-C4' energy: -25.472
flat angles P-C4'-P energy: -22.530
tors. eta vs tors. theta energy: -26.515
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: 7
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -320.581661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.581661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.581661 (E_RNA)
where:
Base-Base interactions energy: -194.853
where: short stacking energy: -102.762
Base-Backbone interact. energy: 0.278
local terms energy: -126.006314
where:
bonds (distance) C4'-P energy: -24.297
bonds (distance) P-C4' energy: -32.697
flat angles C4'-P-C4' energy: -32.335
flat angles P-C4'-P energy: -18.073
tors. eta vs tors. theta energy: -18.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -255.075006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.075006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.075006 (E_RNA)
where:
Base-Base interactions energy: -144.617
where: short stacking energy: -77.159
Base-Backbone interact. energy: -0.273
local terms energy: -110.185704
where:
bonds (distance) C4'-P energy: -23.890
bonds (distance) P-C4' energy: -28.631
flat angles C4'-P-C4' energy: -30.118
flat angles P-C4'-P energy: -14.684
tors. eta vs tors. theta energy: -12.863
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: 4
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -169.117524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.117524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.117524 (E_RNA)
where:
Base-Base interactions energy: -68.588
where: short stacking energy: -64.198
Base-Backbone interact. energy: -0.509
local terms energy: -100.020070
where:
bonds (distance) C4'-P energy: -30.941
bonds (distance) P-C4' energy: -37.442
flat angles C4'-P-C4' energy: -17.527
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -5.716
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: 6
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -550.301851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.301851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.301851 (E_RNA)
where:
Base-Base interactions energy: -373.442
where: short stacking energy: -168.529
Base-Backbone interact. energy: -0.436
local terms energy: -176.424182
where:
bonds (distance) C4'-P energy: -32.943
bonds (distance) P-C4' energy: -29.655
flat angles C4'-P-C4' energy: -38.388
flat angles P-C4'-P energy: -25.994
tors. eta vs tors. theta energy: -49.444
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: 2, replica: 2
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -522.964820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.964820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.964820 (E_RNA)
where:
Base-Base interactions energy: -340.582
where: short stacking energy: -150.798
Base-Backbone interact. energy: -0.141
local terms energy: -182.241202
where:
bonds (distance) C4'-P energy: -31.245
bonds (distance) P-C4' energy: -37.632
flat angles C4'-P-C4' energy: -38.788
flat angles P-C4'-P energy: -25.813
tors. eta vs tors. theta energy: -48.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -474.256820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.256820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.256820 (E_RNA)
where:
Base-Base interactions energy: -331.684
where: short stacking energy: -140.821
Base-Backbone interact. energy: -2.117
local terms energy: -140.455798
where:
bonds (distance) C4'-P energy: -26.822
bonds (distance) P-C4' energy: -29.869
flat angles C4'-P-C4' energy: -31.071
flat angles P-C4'-P energy: -19.155
tors. eta vs tors. theta energy: -33.539
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: 4, replica: 1
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -462.981768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.981768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.981768 (E_RNA)
where:
Base-Base interactions energy: -302.194
where: short stacking energy: -148.798
Base-Backbone interact. energy: -1.253
local terms energy: -159.534741
where:
bonds (distance) C4'-P energy: -30.987
bonds (distance) P-C4' energy: -31.811
flat angles C4'-P-C4' energy: -36.763
flat angles P-C4'-P energy: -17.379
tors. eta vs tors. theta energy: -42.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -425.991797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.991797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.991797 (E_RNA)
where:
Base-Base interactions energy: -277.752
where: short stacking energy: -124.828
Base-Backbone interact. energy: -2.996
local terms energy: -145.243380
where:
bonds (distance) C4'-P energy: -30.243
bonds (distance) P-C4' energy: -33.448
flat angles C4'-P-C4' energy: -28.271
flat angles P-C4'-P energy: -17.214
tors. eta vs tors. theta energy: -36.067
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: 8
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -338.821363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.821363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.821363 (E_RNA)
where:
Base-Base interactions energy: -205.120
where: short stacking energy: -108.656
Base-Backbone interact. energy: 0.322
local terms energy: -134.023577
where:
bonds (distance) C4'-P energy: -29.431
bonds (distance) P-C4' energy: -34.679
flat angles C4'-P-C4' energy: -26.301
flat angles P-C4'-P energy: -18.324
tors. eta vs tors. theta energy: -25.288
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: 7
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -351.843007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.843007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.843007 (E_RNA)
where:
Base-Base interactions energy: -206.171
where: short stacking energy: -97.531
Base-Backbone interact. energy: -0.583
local terms energy: -145.089665
where:
bonds (distance) C4'-P energy: -28.400
bonds (distance) P-C4' energy: -35.150
flat angles C4'-P-C4' energy: -31.432
flat angles P-C4'-P energy: -27.820
tors. eta vs tors. theta energy: -22.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -322.132531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.132531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.132531 (E_RNA)
where:
Base-Base interactions energy: -203.016
where: short stacking energy: -102.617
Base-Backbone interact. energy: -0.085
local terms energy: -119.031905
where:
bonds (distance) C4'-P energy: -27.864
bonds (distance) P-C4' energy: -24.776
flat angles C4'-P-C4' energy: -24.419
flat angles P-C4'-P energy: -15.731
tors. eta vs tors. theta energy: -26.242
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: 9
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -257.157629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.157629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.157629 (E_RNA)
where:
Base-Base interactions energy: -152.315
where: short stacking energy: -67.517
Base-Backbone interact. energy: 2.388
local terms energy: -107.230458
where:
bonds (distance) C4'-P energy: -30.906
bonds (distance) P-C4' energy: -32.308
flat angles C4'-P-C4' energy: -25.793
flat angles P-C4'-P energy: -15.854
tors. eta vs tors. theta energy: -2.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -145.856791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.856791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.856791 (E_RNA)
where:
Base-Base interactions energy: -50.709
where: short stacking energy: -45.839
Base-Backbone interact. energy: -0.157
local terms energy: -94.990864
where:
bonds (distance) C4'-P energy: -31.480
bonds (distance) P-C4' energy: -27.048
flat angles C4'-P-C4' energy: -23.457
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -3.012
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: 6
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -549.355499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.355499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.355499 (E_RNA)
where:
Base-Base interactions energy: -371.749
where: short stacking energy: -164.165
Base-Backbone interact. energy: -1.207
local terms energy: -176.399592
where:
bonds (distance) C4'-P energy: -33.058
bonds (distance) P-C4' energy: -34.027
flat angles C4'-P-C4' energy: -36.140
flat angles P-C4'-P energy: -25.594
tors. eta vs tors. theta energy: -47.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -517.334681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.334681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.334681 (E_RNA)
where:
Base-Base interactions energy: -339.306
where: short stacking energy: -156.600
Base-Backbone interact. energy: 0.303
local terms energy: -178.332356
where:
bonds (distance) C4'-P energy: -34.234
bonds (distance) P-C4' energy: -34.144
flat angles C4'-P-C4' energy: -40.035
flat angles P-C4'-P energy: -23.555
tors. eta vs tors. theta energy: -46.365
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: 10
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -486.627519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.627519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.627519 (E_RNA)
where:
Base-Base interactions energy: -329.853
where: short stacking energy: -130.892
Base-Backbone interact. energy: -1.495
local terms energy: -155.280188
where:
bonds (distance) C4'-P energy: -25.939
bonds (distance) P-C4' energy: -35.510
flat angles C4'-P-C4' energy: -34.091
flat angles P-C4'-P energy: -28.123
tors. eta vs tors. theta energy: -31.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -456.341206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.341206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.341206 (E_RNA)
where:
Base-Base interactions energy: -296.616
where: short stacking energy: -139.721
Base-Backbone interact. energy: -0.669
local terms energy: -159.056343
where:
bonds (distance) C4'-P energy: -31.956
bonds (distance) P-C4' energy: -33.749
flat angles C4'-P-C4' energy: -36.223
flat angles P-C4'-P energy: -19.522
tors. eta vs tors. theta energy: -37.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -411.061559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.061559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.061559 (E_RNA)
where:
Base-Base interactions energy: -269.943
where: short stacking energy: -115.126
Base-Backbone interact. energy: -1.952
local terms energy: -139.167283
where:
bonds (distance) C4'-P energy: -34.792
bonds (distance) P-C4' energy: -27.386
flat angles C4'-P-C4' energy: -34.672
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -32.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -354.842607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.842607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.842607 (E_RNA)
where:
Base-Base interactions energy: -220.820
where: short stacking energy: -102.220
Base-Backbone interact. energy: -0.348
local terms energy: -133.674316
where:
bonds (distance) C4'-P energy: -29.932
bonds (distance) P-C4' energy: -34.240
flat angles C4'-P-C4' energy: -28.702
flat angles P-C4'-P energy: -19.109
tors. eta vs tors. theta energy: -21.691
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: 7
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -338.380827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.380827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.380827 (E_RNA)
where:
Base-Base interactions energy: -202.369
where: short stacking energy: -95.246
Base-Backbone interact. energy: -0.242
local terms energy: -135.769667
where:
bonds (distance) C4'-P energy: -32.777
bonds (distance) P-C4' energy: -30.725
flat angles C4'-P-C4' energy: -27.181
flat angles P-C4'-P energy: -20.989
tors. eta vs tors. theta energy: -24.098
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: 5
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -332.649315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.649315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.649315 (E_RNA)
where:
Base-Base interactions energy: -202.346
where: short stacking energy: -98.250
Base-Backbone interact. energy: -0.882
local terms energy: -129.421250
where:
bonds (distance) C4'-P energy: -28.909
bonds (distance) P-C4' energy: -23.533
flat angles C4'-P-C4' energy: -27.792
flat angles P-C4'-P energy: -22.315
tors. eta vs tors. theta energy: -26.873
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: 9
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -269.067110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.067110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.067110 (E_RNA)
where:
Base-Base interactions energy: -152.334
where: short stacking energy: -88.970
Base-Backbone interact. energy: -1.023
local terms energy: -115.710227
where:
bonds (distance) C4'-P energy: -18.921
bonds (distance) P-C4' energy: -32.329
flat angles C4'-P-C4' energy: -25.227
flat angles P-C4'-P energy: -24.922
tors. eta vs tors. theta energy: -14.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -158.553458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.553458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.553458 (E_RNA)
where:
Base-Base interactions energy: -72.694
where: short stacking energy: -52.113
Base-Backbone interact. energy: -0.490
local terms energy: -85.368952
where:
bonds (distance) C4'-P energy: -27.787
bonds (distance) P-C4' energy: -28.491
flat angles C4'-P-C4' energy: -9.476
flat angles P-C4'-P energy: -14.422
tors. eta vs tors. theta energy: -5.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -552.671508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.671508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.671508 (E_RNA)
where:
Base-Base interactions energy: -376.355
where: short stacking energy: -171.468
Base-Backbone interact. energy: -0.133
local terms energy: -176.183176
where:
bonds (distance) C4'-P energy: -28.891
bonds (distance) P-C4' energy: -31.253
flat angles C4'-P-C4' energy: -36.291
flat angles P-C4'-P energy: -27.203
tors. eta vs tors. theta energy: -52.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -513.253570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.253570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.253570 (E_RNA)
where:
Base-Base interactions energy: -354.312
where: short stacking energy: -153.096
Base-Backbone interact. energy: 0.268
local terms energy: -159.209432
where:
bonds (distance) C4'-P energy: -32.589
bonds (distance) P-C4' energy: -27.153
flat angles C4'-P-C4' energy: -27.564
flat angles P-C4'-P energy: -23.064
tors. eta vs tors. theta energy: -48.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -506.691961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.691961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.691961 (E_RNA)
where:
Base-Base interactions energy: -335.280
where: short stacking energy: -142.546
Base-Backbone interact. energy: -0.144
local terms energy: -171.267639
where:
bonds (distance) C4'-P energy: -30.801
bonds (distance) P-C4' energy: -36.222
flat angles C4'-P-C4' energy: -34.839
flat angles P-C4'-P energy: -28.653
tors. eta vs tors. theta energy: -40.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -439.982359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.982359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.982359 (E_RNA)
where:
Base-Base interactions energy: -289.502
where: short stacking energy: -139.965
Base-Backbone interact. energy: -0.012
local terms energy: -150.468210
where:
bonds (distance) C4'-P energy: -25.360
bonds (distance) P-C4' energy: -30.315
flat angles C4'-P-C4' energy: -32.056
flat angles P-C4'-P energy: -22.277
tors. eta vs tors. theta energy: -40.461
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: 5, replica: 8
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -363.653357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.653357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.653357 (E_RNA)
where:
Base-Base interactions energy: -220.029
where: short stacking energy: -107.111
Base-Backbone interact. energy: -0.003
local terms energy: -143.621977
where:
bonds (distance) C4'-P energy: -29.344
bonds (distance) P-C4' energy: -33.065
flat angles C4'-P-C4' energy: -26.265
flat angles P-C4'-P energy: -22.008
tors. eta vs tors. theta energy: -32.941
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: 3
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -394.159580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.159580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.159580 (E_RNA)
where:
Base-Base interactions energy: -264.509
where: short stacking energy: -122.231
Base-Backbone interact. energy: -0.347
local terms energy: -129.302878
where:
bonds (distance) C4'-P energy: -26.823
bonds (distance) P-C4' energy: -36.535
flat angles C4'-P-C4' energy: -24.299
flat angles P-C4'-P energy: -14.935
tors. eta vs tors. theta energy: -26.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -346.611371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.611371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.611371 (E_RNA)
where:
Base-Base interactions energy: -216.804
where: short stacking energy: -97.155
Base-Backbone interact. energy: -0.901
local terms energy: -128.905741
where:
bonds (distance) C4'-P energy: -31.089
bonds (distance) P-C4' energy: -24.897
flat angles C4'-P-C4' energy: -26.417
flat angles P-C4'-P energy: -18.369
tors. eta vs tors. theta energy: -28.133
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: 8, replica: 7
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -332.932467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.932467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.932467 (E_RNA)
where:
Base-Base interactions energy: -208.079
where: short stacking energy: -95.913
Base-Backbone interact. energy: -2.127
local terms energy: -122.726330
where:
bonds (distance) C4'-P energy: -20.567
bonds (distance) P-C4' energy: -34.820
flat angles C4'-P-C4' energy: -32.303
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -25.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -224.346227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.346227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.346227 (E_RNA)
where:
Base-Base interactions energy: -119.149
where: short stacking energy: -65.292
Base-Backbone interact. energy: -0.319
local terms energy: -104.878131
where:
bonds (distance) C4'-P energy: -30.438
bonds (distance) P-C4' energy: -23.356
flat angles C4'-P-C4' energy: -25.575
flat angles P-C4'-P energy: -16.330
tors. eta vs tors. theta energy: -9.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -147.769014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.769014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.769014 (E_RNA)
where:
Base-Base interactions energy: -62.335
where: short stacking energy: -51.934
Base-Backbone interact. energy: 0.463
local terms energy: -85.896478
where:
bonds (distance) C4'-P energy: -23.552
bonds (distance) P-C4' energy: -29.589
flat angles C4'-P-C4' energy: -23.914
flat angles P-C4'-P energy: -4.094
tors. eta vs tors. theta energy: -4.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -559.518470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.518470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.518470 (E_RNA)
where:
Base-Base interactions energy: -389.371
where: short stacking energy: -172.094
Base-Backbone interact. energy: 1.550
local terms energy: -171.697650
where:
bonds (distance) C4'-P energy: -29.777
bonds (distance) P-C4' energy: -33.491
flat angles C4'-P-C4' energy: -36.242
flat angles P-C4'-P energy: -24.903
tors. eta vs tors. theta energy: -47.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -524.294394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.294394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.294394 (E_RNA)
where:
Base-Base interactions energy: -363.682
where: short stacking energy: -164.700
Base-Backbone interact. energy: -0.197
local terms energy: -160.415049
where:
bonds (distance) C4'-P energy: -27.580
bonds (distance) P-C4' energy: -33.174
flat angles C4'-P-C4' energy: -37.263
flat angles P-C4'-P energy: -16.824
tors. eta vs tors. theta energy: -45.575
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: 327
Temperature: 1.000000
Total energy: -499.604577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.604577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.604577 (E_RNA)
where:
Base-Base interactions energy: -342.278
where: short stacking energy: -149.316
Base-Backbone interact. energy: -2.160
local terms energy: -155.166729
where:
bonds (distance) C4'-P energy: -32.301
bonds (distance) P-C4' energy: -24.391
flat angles C4'-P-C4' energy: -30.901
flat angles P-C4'-P energy: -26.097
tors. eta vs tors. theta energy: -41.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -443.219544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.219544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.219544 (E_RNA)
where:
Base-Base interactions energy: -290.377
where: short stacking energy: -142.204
Base-Backbone interact. energy: 0.219
local terms energy: -153.061334
where:
bonds (distance) C4'-P energy: -38.298
bonds (distance) P-C4' energy: -22.699
flat angles C4'-P-C4' energy: -30.624
flat angles P-C4'-P energy: -27.578
tors. eta vs tors. theta energy: -33.861
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: 8
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -380.188903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.188903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.188903 (E_RNA)
where:
Base-Base interactions energy: -232.443
where: short stacking energy: -131.011
Base-Backbone interact. energy: -0.008
local terms energy: -147.737057
where:
bonds (distance) C4'-P energy: -21.200
bonds (distance) P-C4' energy: -35.501
flat angles C4'-P-C4' energy: -33.067
flat angles P-C4'-P energy: -18.596
tors. eta vs tors. theta energy: -39.372
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: 3
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -396.329724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.329724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.329724 (E_RNA)
where:
Base-Base interactions energy: -255.210
where: short stacking energy: -114.701
Base-Backbone interact. energy: -0.544
local terms energy: -140.575380
where:
bonds (distance) C4'-P energy: -33.926
bonds (distance) P-C4' energy: -28.607
flat angles C4'-P-C4' energy: -30.094
flat angles P-C4'-P energy: -19.260
tors. eta vs tors. theta energy: -28.688
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: 5
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -361.012384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.012384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.012384 (E_RNA)
where:
Base-Base interactions energy: -219.147
where: short stacking energy: -128.320
Base-Backbone interact. energy: -0.462
local terms energy: -141.402837
where:
bonds (distance) C4'-P energy: -30.793
bonds (distance) P-C4' energy: -23.417
flat angles C4'-P-C4' energy: -32.796
flat angles P-C4'-P energy: -19.049
tors. eta vs tors. theta energy: -35.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -329.011797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.011797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.011797 (E_RNA)
where:
Base-Base interactions energy: -213.748
where: short stacking energy: -99.306
Base-Backbone interact. energy: -0.487
local terms energy: -114.776928
where:
bonds (distance) C4'-P energy: -21.302
bonds (distance) P-C4' energy: -23.076
flat angles C4'-P-C4' energy: -31.761
flat angles P-C4'-P energy: -18.190
tors. eta vs tors. theta energy: -20.449
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: 327
Temperature: 1.300000
Total energy: -240.131904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.131904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.131904 (E_RNA)
where:
Base-Base interactions energy: -140.837
where: short stacking energy: -72.246
Base-Backbone interact. energy: 0.017
local terms energy: -99.311743
where:
bonds (distance) C4'-P energy: -28.318
bonds (distance) P-C4' energy: -26.380
flat angles C4'-P-C4' energy: -22.045
flat angles P-C4'-P energy: -15.090
tors. eta vs tors. theta energy: -7.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -184.516882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.516882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.516882 (E_RNA)
where:
Base-Base interactions energy: -87.058
where: short stacking energy: -50.842
Base-Backbone interact. energy: 0.938
local terms energy: -98.396879
where:
bonds (distance) C4'-P energy: -30.856
bonds (distance) P-C4' energy: -27.488
flat angles C4'-P-C4' energy: -27.526
flat angles P-C4'-P energy: -14.984
tors. eta vs tors. theta energy: 2.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -534.014972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.014972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.014972 (E_RNA)
where:
Base-Base interactions energy: -354.945
where: short stacking energy: -148.546
Base-Backbone interact. energy: -1.485
local terms energy: -177.584593
where:
bonds (distance) C4'-P energy: -31.364
bonds (distance) P-C4' energy: -34.081
flat angles C4'-P-C4' energy: -38.717
flat angles P-C4'-P energy: -25.238
tors. eta vs tors. theta energy: -48.185
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: 6
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -522.230050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.230050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.230050 (E_RNA)
where:
Base-Base interactions energy: -363.522
where: short stacking energy: -156.023
Base-Backbone interact. energy: 0.508
local terms energy: -159.216531
where:
bonds (distance) C4'-P energy: -30.254
bonds (distance) P-C4' energy: -28.071
flat angles C4'-P-C4' energy: -34.388
flat angles P-C4'-P energy: -18.924
tors. eta vs tors. theta energy: -47.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -499.647036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.647036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.647036 (E_RNA)
where:
Base-Base interactions energy: -337.397
where: short stacking energy: -149.691
Base-Backbone interact. energy: -0.736
local terms energy: -161.514409
where:
bonds (distance) C4'-P energy: -27.486
bonds (distance) P-C4' energy: -34.397
flat angles C4'-P-C4' energy: -34.185
flat angles P-C4'-P energy: -21.637
tors. eta vs tors. theta energy: -43.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -437.359885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.359885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.359885 (E_RNA)
where:
Base-Base interactions energy: -281.318
where: short stacking energy: -134.926
Base-Backbone interact. energy: -0.426
local terms energy: -155.615881
where:
bonds (distance) C4'-P energy: -31.930
bonds (distance) P-C4' energy: -29.104
flat angles C4'-P-C4' energy: -31.682
flat angles P-C4'-P energy: -21.963
tors. eta vs tors. theta energy: -40.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -432.002768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.002768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.002768 (E_RNA)
where:
Base-Base interactions energy: -290.750
where: short stacking energy: -117.844
Base-Backbone interact. energy: -1.639
local terms energy: -139.613981
where:
bonds (distance) C4'-P energy: -31.314
bonds (distance) P-C4' energy: -24.573
flat angles C4'-P-C4' energy: -30.378
flat angles P-C4'-P energy: -23.234
tors. eta vs tors. theta energy: -30.115
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: 8
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -361.060489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.060489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.060489 (E_RNA)
where:
Base-Base interactions energy: -226.487
where: short stacking energy: -109.582
Base-Backbone interact. energy: -0.378
local terms energy: -134.195058
where:
bonds (distance) C4'-P energy: -30.242
bonds (distance) P-C4' energy: -30.957
flat angles C4'-P-C4' energy: -35.316
flat angles P-C4'-P energy: -18.044
tors. eta vs tors. theta energy: -19.636
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: 7
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -342.035473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.035473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.035473 (E_RNA)
where:
Base-Base interactions energy: -215.203
where: short stacking energy: -105.699
Base-Backbone interact. energy: -1.081
local terms energy: -125.751591
where:
bonds (distance) C4'-P energy: -29.983
bonds (distance) P-C4' energy: -33.929
flat angles C4'-P-C4' energy: -21.991
flat angles P-C4'-P energy: -16.448
tors. eta vs tors. theta energy: -23.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -338.750084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.750084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.750084 (E_RNA)
where:
Base-Base interactions energy: -213.861
where: short stacking energy: -86.299
Base-Backbone interact. energy: -0.967
local terms energy: -123.922489
where:
bonds (distance) C4'-P energy: -30.160
bonds (distance) P-C4' energy: -27.217
flat angles C4'-P-C4' energy: -28.591
flat angles P-C4'-P energy: -17.831
tors. eta vs tors. theta energy: -20.124
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: 9, replica: 9
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -228.106232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.106232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.106232 (E_RNA)
where:
Base-Base interactions energy: -113.640
where: short stacking energy: -70.563
Base-Backbone interact. energy: -0.565
local terms energy: -113.901801
where:
bonds (distance) C4'-P energy: -31.241
bonds (distance) P-C4' energy: -28.760
flat angles C4'-P-C4' energy: -29.901
flat angles P-C4'-P energy: -16.203
tors. eta vs tors. theta energy: -7.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -155.443754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.443754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.443754 (E_RNA)
where:
Base-Base interactions energy: -59.734
where: short stacking energy: -47.600
Base-Backbone interact. energy: 0.787
local terms energy: -96.496407
where:
bonds (distance) C4'-P energy: -20.977
bonds (distance) P-C4' energy: -25.609
flat angles C4'-P-C4' energy: -27.879
flat angles P-C4'-P energy: -16.080
tors. eta vs tors. theta energy: -5.951
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: 2
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -519.813199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.813199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.813199 (E_RNA)
where:
Base-Base interactions energy: -361.303
where: short stacking energy: -164.359
Base-Backbone interact. energy: -0.321
local terms energy: -158.189188
where:
bonds (distance) C4'-P energy: -26.899
bonds (distance) P-C4' energy: -24.858
flat angles C4'-P-C4' energy: -34.642
flat angles P-C4'-P energy: -24.282
tors. eta vs tors. theta energy: -47.510
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: 6
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -520.676347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.676347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.676347 (E_RNA)
where:
Base-Base interactions energy: -359.768
where: short stacking energy: -157.822
Base-Backbone interact. energy: -0.176
local terms energy: -160.732432
where:
bonds (distance) C4'-P energy: -34.776
bonds (distance) P-C4' energy: -28.521
flat angles C4'-P-C4' energy: -36.691
flat angles P-C4'-P energy: -16.894
tors. eta vs tors. theta energy: -43.851
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: 3, replica: 10
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -487.579184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.579184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.579184 (E_RNA)
where:
Base-Base interactions energy: -323.976
where: short stacking energy: -143.530
Base-Backbone interact. energy: -0.268
local terms energy: -163.335250
where:
bonds (distance) C4'-P energy: -37.205
bonds (distance) P-C4' energy: -31.381
flat angles C4'-P-C4' energy: -34.726
flat angles P-C4'-P energy: -28.267
tors. eta vs tors. theta energy: -31.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -444.315481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.315481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.315481 (E_RNA)
where:
Base-Base interactions energy: -300.685
where: short stacking energy: -139.763
Base-Backbone interact. energy: -0.520
local terms energy: -143.110350
where:
bonds (distance) C4'-P energy: -19.714
bonds (distance) P-C4' energy: -32.977
flat angles C4'-P-C4' energy: -25.467
flat angles P-C4'-P energy: -22.329
tors. eta vs tors. theta energy: -42.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -437.758802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.758802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.758802 (E_RNA)
where:
Base-Base interactions energy: -291.666
where: short stacking energy: -138.956
Base-Backbone interact. energy: -1.739
local terms energy: -144.353679
where:
bonds (distance) C4'-P energy: -19.846
bonds (distance) P-C4' energy: -29.913
flat angles C4'-P-C4' energy: -31.231
flat angles P-C4'-P energy: -26.189
tors. eta vs tors. theta energy: -37.174
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: 8
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -347.979763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.979763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.979763 (E_RNA)
where:
Base-Base interactions energy: -217.265
where: short stacking energy: -115.437
Base-Backbone interact. energy: 1.386
local terms energy: -132.100312
where:
bonds (distance) C4'-P energy: -25.508
bonds (distance) P-C4' energy: -29.949
flat angles C4'-P-C4' energy: -30.172
flat angles P-C4'-P energy: -17.278
tors. eta vs tors. theta energy: -29.193
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: 7, replica: 7
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -319.840904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.840904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.840904 (E_RNA)
where:
Base-Base interactions energy: -194.435
where: short stacking energy: -102.441
Base-Backbone interact. energy: 0.178
local terms energy: -125.584715
where:
bonds (distance) C4'-P energy: -31.068
bonds (distance) P-C4' energy: -29.368
flat angles C4'-P-C4' energy: -26.001
flat angles P-C4'-P energy: -19.633
tors. eta vs tors. theta energy: -19.514
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: 5
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -322.733173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.733173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.733173 (E_RNA)
where:
Base-Base interactions energy: -202.441
where: short stacking energy: -107.841
Base-Backbone interact. energy: 0.461
local terms energy: -120.753697
where:
bonds (distance) C4'-P energy: -27.329
bonds (distance) P-C4' energy: -24.057
flat angles C4'-P-C4' energy: -23.847
flat angles P-C4'-P energy: -24.298
tors. eta vs tors. theta energy: -21.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -232.184726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.184726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.184726 (E_RNA)
where:
Base-Base interactions energy: -109.829
where: short stacking energy: -64.805
Base-Backbone interact. energy: -2.409
local terms energy: -119.946595
where:
bonds (distance) C4'-P energy: -19.270
bonds (distance) P-C4' energy: -30.815
flat angles C4'-P-C4' energy: -33.867
flat angles P-C4'-P energy: -23.502
tors. eta vs tors. theta energy: -12.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -144.798300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.798300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.798300 (E_RNA)
where:
Base-Base interactions energy: -53.281
where: short stacking energy: -42.163
Base-Backbone interact. energy: -1.011
local terms energy: -90.506141
where:
bonds (distance) C4'-P energy: -20.280
bonds (distance) P-C4' energy: -34.120
flat angles C4'-P-C4' energy: -23.788
flat angles P-C4'-P energy: -15.215
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: 2
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -527.649952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.649952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.649952 (E_RNA)
where:
Base-Base interactions energy: -353.219
where: short stacking energy: -166.926
Base-Backbone interact. energy: -0.690
local terms energy: -173.740394
where:
bonds (distance) C4'-P energy: -36.033
bonds (distance) P-C4' energy: -33.471
flat angles C4'-P-C4' energy: -32.264
flat angles P-C4'-P energy: -24.077
tors. eta vs tors. theta energy: -47.895
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: 6
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -522.117432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.117432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.117432 (E_RNA)
where:
Base-Base interactions energy: -365.833
where: short stacking energy: -161.860
Base-Backbone interact. energy: -0.362
local terms energy: -155.922579
where:
bonds (distance) C4'-P energy: -30.890
bonds (distance) P-C4' energy: -29.072
flat angles C4'-P-C4' energy: -29.877
flat angles P-C4'-P energy: -18.333
tors. eta vs tors. theta energy: -47.752
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: 3, replica: 10
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -497.498702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.498702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.498702 (E_RNA)
where:
Base-Base interactions energy: -327.933
where: short stacking energy: -149.432
Base-Backbone interact. energy: -1.469
local terms energy: -168.096477
where:
bonds (distance) C4'-P energy: -26.806
bonds (distance) P-C4' energy: -35.707
flat angles C4'-P-C4' energy: -39.796
flat angles P-C4'-P energy: -22.502
tors. eta vs tors. theta energy: -43.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -432.110839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.110839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.110839 (E_RNA)
where:
Base-Base interactions energy: -281.351
where: short stacking energy: -127.911
Base-Backbone interact. energy: -0.056
local terms energy: -150.704367
where:
bonds (distance) C4'-P energy: -31.646
bonds (distance) P-C4' energy: -32.027
flat angles C4'-P-C4' energy: -31.822
flat angles P-C4'-P energy: -21.421
tors. eta vs tors. theta energy: -33.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -441.102181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.102181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.102181 (E_RNA)
where:
Base-Base interactions energy: -294.394
where: short stacking energy: -129.505
Base-Backbone interact. energy: -0.265
local terms energy: -146.442631
where:
bonds (distance) C4'-P energy: -29.631
bonds (distance) P-C4' energy: -24.340
flat angles C4'-P-C4' energy: -30.625
flat angles P-C4'-P energy: -24.212
tors. eta vs tors. theta energy: -37.635
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: 8
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -342.571740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.571740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.571740 (E_RNA)
where:
Base-Base interactions energy: -206.399
where: short stacking energy: -109.299
Base-Backbone interact. energy: -0.388
local terms energy: -135.785619
where:
bonds (distance) C4'-P energy: -27.118
bonds (distance) P-C4' energy: -35.363
flat angles C4'-P-C4' energy: -23.996
flat angles P-C4'-P energy: -19.111
tors. eta vs tors. theta energy: -30.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -344.235632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.235632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.235632 (E_RNA)
where:
Base-Base interactions energy: -225.697
where: short stacking energy: -106.515
Base-Backbone interact. energy: -0.078
local terms energy: -118.460903
where:
bonds (distance) C4'-P energy: -23.953
bonds (distance) P-C4' energy: -29.006
flat angles C4'-P-C4' energy: -25.128
flat angles P-C4'-P energy: -18.610
tors. eta vs tors. theta energy: -21.764
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: 5
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -317.984187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.984187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.984187 (E_RNA)
where:
Base-Base interactions energy: -192.236
where: short stacking energy: -96.356
Base-Backbone interact. energy: 0.398
local terms energy: -126.146484
where:
bonds (distance) C4'-P energy: -29.721
bonds (distance) P-C4' energy: -34.114
flat angles C4'-P-C4' energy: -21.388
flat angles P-C4'-P energy: -13.422
tors. eta vs tors. theta energy: -27.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -244.815253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.815253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.815253 (E_RNA)
where:
Base-Base interactions energy: -123.335
where: short stacking energy: -77.428
Base-Backbone interact. energy: -0.421
local terms energy: -121.058834
where:
bonds (distance) C4'-P energy: -25.674
bonds (distance) P-C4' energy: -30.013
flat angles C4'-P-C4' energy: -28.737
flat angles P-C4'-P energy: -15.284
tors. eta vs tors. theta energy: -21.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -184.209417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.209417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.209417 (E_RNA)
where:
Base-Base interactions energy: -87.993
where: short stacking energy: -37.080
Base-Backbone interact. energy: -0.249
local terms energy: -95.967177
where:
bonds (distance) C4'-P energy: -29.902
bonds (distance) P-C4' energy: -26.931
flat angles C4'-P-C4' energy: -30.285
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: -0.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -535.418470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.418470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.418470 (E_RNA)
where:
Base-Base interactions energy: -362.785
where: short stacking energy: -172.249
Base-Backbone interact. energy: -0.133
local terms energy: -172.501154
where:
bonds (distance) C4'-P energy: -33.042
bonds (distance) P-C4' energy: -30.847
flat angles C4'-P-C4' energy: -34.774
flat angles P-C4'-P energy: -25.195
tors. eta vs tors. theta energy: -48.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -531.162321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.162321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.162321 (E_RNA)
where:
Base-Base interactions energy: -362.507
where: short stacking energy: -171.828
Base-Backbone interact. energy: -0.050
local terms energy: -168.605744
where:
bonds (distance) C4'-P energy: -28.790
bonds (distance) P-C4' energy: -24.689
flat angles C4'-P-C4' energy: -37.679
flat angles P-C4'-P energy: -27.775
tors. eta vs tors. theta energy: -49.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -496.295430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.295430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.295430 (E_RNA)
where:
Base-Base interactions energy: -341.705
where: short stacking energy: -161.833
Base-Backbone interact. energy: -0.953
local terms energy: -153.637439
where:
bonds (distance) C4'-P energy: -23.486
bonds (distance) P-C4' energy: -27.358
flat angles C4'-P-C4' energy: -33.811
flat angles P-C4'-P energy: -26.271
tors. eta vs tors. theta energy: -42.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -433.925839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.925839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.925839 (E_RNA)
where:
Base-Base interactions energy: -276.652
where: short stacking energy: -111.174
Base-Backbone interact. energy: -0.012
local terms energy: -157.261651
where:
bonds (distance) C4'-P energy: -36.517
bonds (distance) P-C4' energy: -30.446
flat angles C4'-P-C4' energy: -32.472
flat angles P-C4'-P energy: -23.748
tors. eta vs tors. theta energy: -34.080
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: 1
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -434.007575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.007575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.007575 (E_RNA)
where:
Base-Base interactions energy: -284.542
where: short stacking energy: -137.048
Base-Backbone interact. energy: -0.414
local terms energy: -149.051417
where:
bonds (distance) C4'-P energy: -23.420
bonds (distance) P-C4' energy: -33.337
flat angles C4'-P-C4' energy: -34.132
flat angles P-C4'-P energy: -19.614
tors. eta vs tors. theta energy: -38.549
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: 8
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -366.446388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.446388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.446388 (E_RNA)
where:
Base-Base interactions energy: -235.470
where: short stacking energy: -110.452
Base-Backbone interact. energy: -0.895
local terms energy: -130.081396
where:
bonds (distance) C4'-P energy: -29.696
bonds (distance) P-C4' energy: -31.866
flat angles C4'-P-C4' energy: -28.090
flat angles P-C4'-P energy: -12.213
tors. eta vs tors. theta energy: -28.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -342.997071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.997071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.997071 (E_RNA)
where:
Base-Base interactions energy: -217.625
where: short stacking energy: -92.290
Base-Backbone interact. energy: -1.338
local terms energy: -124.034006
where:
bonds (distance) C4'-P energy: -29.721
bonds (distance) P-C4' energy: -32.453
flat angles C4'-P-C4' energy: -36.099
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -14.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -311.929440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.929440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.929440 (E_RNA)
where:
Base-Base interactions energy: -190.093
where: short stacking energy: -102.223
Base-Backbone interact. energy: -0.372
local terms energy: -121.464327
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -31.148
flat angles C4'-P-C4' energy: -29.939
flat angles P-C4'-P energy: -24.532
tors. eta vs tors. theta energy: -19.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -245.028405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.028405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.028405 (E_RNA)
where:
Base-Base interactions energy: -137.752
where: short stacking energy: -73.785
Base-Backbone interact. energy: -0.446
local terms energy: -106.830488
where:
bonds (distance) C4'-P energy: -27.119
bonds (distance) P-C4' energy: -29.562
flat angles C4'-P-C4' energy: -19.495
flat angles P-C4'-P energy: -19.590
tors. eta vs tors. theta energy: -11.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -187.791198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.791198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.791198 (E_RNA)
where:
Base-Base interactions energy: -87.813
where: short stacking energy: -45.631
Base-Backbone interact. energy: -0.104
local terms energy: -99.873983
where:
bonds (distance) C4'-P energy: -32.517
bonds (distance) P-C4' energy: -30.639
flat angles C4'-P-C4' energy: -26.234
flat angles P-C4'-P energy: -14.917
tors. eta vs tors. theta energy: 4.433
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: 6
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -550.897375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.897375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.897375 (E_RNA)
where:
Base-Base interactions energy: -374.305
where: short stacking energy: -165.950
Base-Backbone interact. energy: -0.284
local terms energy: -176.308491
where:
bonds (distance) C4'-P energy: -33.369
bonds (distance) P-C4' energy: -32.357
flat angles C4'-P-C4' energy: -34.940
flat angles P-C4'-P energy: -25.976
tors. eta vs tors. theta energy: -49.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -525.977761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.977761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.977761 (E_RNA)
where:
Base-Base interactions energy: -359.803
where: short stacking energy: -177.593
Base-Backbone interact. energy: -0.255
local terms energy: -165.920029
where:
bonds (distance) C4'-P energy: -29.447
bonds (distance) P-C4' energy: -34.594
flat angles C4'-P-C4' energy: -30.473
flat angles P-C4'-P energy: -17.829
tors. eta vs tors. theta energy: -53.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -483.160295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.160295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.160295 (E_RNA)
where:
Base-Base interactions energy: -328.460
where: short stacking energy: -159.341
Base-Backbone interact. energy: -1.037
local terms energy: -153.663503
where:
bonds (distance) C4'-P energy: -25.822
bonds (distance) P-C4' energy: -29.741
flat angles C4'-P-C4' energy: -34.295
flat angles P-C4'-P energy: -24.293
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: 4, replica: 3
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -434.635655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.635655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.635655 (E_RNA)
where:
Base-Base interactions energy: -288.086
where: short stacking energy: -121.328
Base-Backbone interact. energy: -0.855
local terms energy: -145.694988
where:
bonds (distance) C4'-P energy: -29.850
bonds (distance) P-C4' energy: -32.685
flat angles C4'-P-C4' energy: -26.904
flat angles P-C4'-P energy: -15.428
tors. eta vs tors. theta energy: -40.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -445.502672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.502672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.502672 (E_RNA)
where:
Base-Base interactions energy: -292.828
where: short stacking energy: -130.273
Base-Backbone interact. energy: -0.833
local terms energy: -151.841803
where:
bonds (distance) C4'-P energy: -34.107
bonds (distance) P-C4' energy: -27.026
flat angles C4'-P-C4' energy: -34.605
flat angles P-C4'-P energy: -22.055
tors. eta vs tors. theta energy: -34.049
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: 332
Temperature: 1.150000
Total energy: -347.534979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.534979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.534979 (E_RNA)
where:
Base-Base interactions energy: -211.899
where: short stacking energy: -98.498
Base-Backbone interact. energy: -0.347
local terms energy: -135.289634
where:
bonds (distance) C4'-P energy: -26.598
bonds (distance) P-C4' energy: -20.867
flat angles C4'-P-C4' energy: -37.609
flat angles P-C4'-P energy: -22.113
tors. eta vs tors. theta energy: -28.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -326.677510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.677510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.677510 (E_RNA)
where:
Base-Base interactions energy: -201.797
where: short stacking energy: -99.180
Base-Backbone interact. energy: -1.664
local terms energy: -123.215664
where:
bonds (distance) C4'-P energy: -26.209
bonds (distance) P-C4' energy: -32.568
flat angles C4'-P-C4' energy: -26.406
flat angles P-C4'-P energy: -13.034
tors. eta vs tors. theta energy: -24.999
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: 5
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -303.939198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.939198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.939198 (E_RNA)
where:
Base-Base interactions energy: -174.502
where: short stacking energy: -92.028
Base-Backbone interact. energy: -0.234
local terms energy: -129.203005
where:
bonds (distance) C4'-P energy: -29.991
bonds (distance) P-C4' energy: -31.388
flat angles C4'-P-C4' energy: -31.242
flat angles P-C4'-P energy: -15.060
tors. eta vs tors. theta energy: -21.522
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: 332
Temperature: 1.300000
Total energy: -175.141119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.141119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.141119 (E_RNA)
where:
Base-Base interactions energy: -76.758
where: short stacking energy: -60.009
Base-Backbone interact. energy: 0.336
local terms energy: -98.719318
where:
bonds (distance) C4'-P energy: -33.748
bonds (distance) P-C4' energy: -30.285
flat angles C4'-P-C4' energy: -26.491
flat angles P-C4'-P energy: -8.067
tors. eta vs tors. theta energy: -0.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -147.955013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.955013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.955013 (E_RNA)
where:
Base-Base interactions energy: -52.439
where: short stacking energy: -44.840
Base-Backbone interact. energy: -0.043
local terms energy: -95.472955
where:
bonds (distance) C4'-P energy: -21.777
bonds (distance) P-C4' energy: -32.460
flat angles C4'-P-C4' energy: -22.836
flat angles P-C4'-P energy: -18.075
tors. eta vs tors. theta energy: -0.325
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: 6
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -542.982960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.982960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.982960 (E_RNA)
where:
Base-Base interactions energy: -364.996
where: short stacking energy: -167.800
Base-Backbone interact. energy: -0.015
local terms energy: -177.971791
where:
bonds (distance) C4'-P energy: -27.585
bonds (distance) P-C4' energy: -32.841
flat angles C4'-P-C4' energy: -37.984
flat angles P-C4'-P energy: -28.271
tors. eta vs tors. theta energy: -51.291
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: 2
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -511.971959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.971959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.971959 (E_RNA)
where:
Base-Base interactions energy: -351.324
where: short stacking energy: -163.159
Base-Backbone interact. energy: -0.119
local terms energy: -160.528613
where:
bonds (distance) C4'-P energy: -29.312
bonds (distance) P-C4' energy: -29.150
flat angles C4'-P-C4' energy: -32.846
flat angles P-C4'-P energy: -23.621
tors. eta vs tors. theta energy: -45.598
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: 3, replica: 10
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -498.405176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.405176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.405176 (E_RNA)
where:
Base-Base interactions energy: -340.787
where: short stacking energy: -154.302
Base-Backbone interact. energy: -1.580
local terms energy: -156.038248
where:
bonds (distance) C4'-P energy: -24.878
bonds (distance) P-C4' energy: -31.861
flat angles C4'-P-C4' energy: -31.934
flat angles P-C4'-P energy: -22.340
tors. eta vs tors. theta energy: -45.026
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: 1
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -462.442805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.442805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.442805 (E_RNA)
where:
Base-Base interactions energy: -309.095
where: short stacking energy: -130.506
Base-Backbone interact. energy: -1.808
local terms energy: -151.539688
where:
bonds (distance) C4'-P energy: -31.029
bonds (distance) P-C4' energy: -22.771
flat angles C4'-P-C4' energy: -34.344
flat angles P-C4'-P energy: -23.782
tors. eta vs tors. theta energy: -39.613
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: 333
Temperature: 1.100000
Total energy: -428.932401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.932401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.932401 (E_RNA)
where:
Base-Base interactions energy: -286.775
where: short stacking energy: -128.696
Base-Backbone interact. energy: -3.008
local terms energy: -139.148682
where:
bonds (distance) C4'-P energy: -22.161
bonds (distance) P-C4' energy: -27.608
flat angles C4'-P-C4' energy: -32.159
flat angles P-C4'-P energy: -24.693
tors. eta vs tors. theta energy: -32.527
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: 6, replica: 8
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -338.694876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.694876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.694876 (E_RNA)
where:
Base-Base interactions energy: -211.346
where: short stacking energy: -97.045
Base-Backbone interact. energy: -0.641
local terms energy: -126.708030
where:
bonds (distance) C4'-P energy: -25.779
bonds (distance) P-C4' energy: -32.419
flat angles C4'-P-C4' energy: -26.466
flat angles P-C4'-P energy: -18.222
tors. eta vs tors. theta energy: -23.822
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: 7
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -325.006556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.006556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.006556 (E_RNA)
where:
Base-Base interactions energy: -208.836
where: short stacking energy: -96.112
Base-Backbone interact. energy: -0.153
local terms energy: -116.018015
where:
bonds (distance) C4'-P energy: -26.012
bonds (distance) P-C4' energy: -29.182
flat angles C4'-P-C4' energy: -21.289
flat angles P-C4'-P energy: -22.647
tors. eta vs tors. theta energy: -16.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -325.940660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.940660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.940660 (E_RNA)
where:
Base-Base interactions energy: -198.482
where: short stacking energy: -89.450
Base-Backbone interact. energy: -0.193
local terms energy: -127.264998
where:
bonds (distance) C4'-P energy: -23.253
bonds (distance) P-C4' energy: -32.405
flat angles C4'-P-C4' energy: -32.071
flat angles P-C4'-P energy: -16.091
tors. eta vs tors. theta energy: -23.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -163.011984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.011984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.011984 (E_RNA)
where:
Base-Base interactions energy: -64.207
where: short stacking energy: -59.591
Base-Backbone interact. energy: 0.938
local terms energy: -99.743798
where:
bonds (distance) C4'-P energy: -26.797
bonds (distance) P-C4' energy: -29.282
flat angles C4'-P-C4' energy: -24.800
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -9.297
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: 4
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -166.881368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.881368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.881368 (E_RNA)
where:
Base-Base interactions energy: -61.714
where: short stacking energy: -56.341
Base-Backbone interact. energy: -0.220
local terms energy: -104.947679
where:
bonds (distance) C4'-P energy: -27.707
bonds (distance) P-C4' energy: -22.571
flat angles C4'-P-C4' energy: -31.349
flat angles P-C4'-P energy: -14.025
tors. eta vs tors. theta energy: -9.295
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: 6
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -549.504808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.504808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.504808 (E_RNA)
where:
Base-Base interactions energy: -375.899
where: short stacking energy: -172.946
Base-Backbone interact. energy: -0.725
local terms energy: -172.880468
where:
bonds (distance) C4'-P energy: -30.072
bonds (distance) P-C4' energy: -31.400
flat angles C4'-P-C4' energy: -34.179
flat angles P-C4'-P energy: -25.161
tors. eta vs tors. theta energy: -52.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -505.100347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.100347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.100347 (E_RNA)
where:
Base-Base interactions energy: -337.764
where: short stacking energy: -147.589
Base-Backbone interact. energy: -1.426
local terms energy: -165.910119
where:
bonds (distance) C4'-P energy: -32.226
bonds (distance) P-C4' energy: -31.870
flat angles C4'-P-C4' energy: -32.399
flat angles P-C4'-P energy: -28.094
tors. eta vs tors. theta energy: -41.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -499.470632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.470632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.470632 (E_RNA)
where:
Base-Base interactions energy: -329.535
where: short stacking energy: -147.527
Base-Backbone interact. energy: 0.444
local terms energy: -170.379991
where:
bonds (distance) C4'-P energy: -35.821
bonds (distance) P-C4' energy: -33.547
flat angles C4'-P-C4' energy: -35.598
flat angles P-C4'-P energy: -22.498
tors. eta vs tors. theta energy: -42.916
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: 1
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -447.098334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.098334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.098334 (E_RNA)
where:
Base-Base interactions energy: -298.061
where: short stacking energy: -127.767
Base-Backbone interact. energy: 0.564
local terms energy: -149.601015
where:
bonds (distance) C4'-P energy: -32.848
bonds (distance) P-C4' energy: -38.809
flat angles C4'-P-C4' energy: -25.300
flat angles P-C4'-P energy: -20.599
tors. eta vs tors. theta energy: -32.044
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: 5, replica: 8
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -356.847119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.847119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.847119 (E_RNA)
where:
Base-Base interactions energy: -215.032
where: short stacking energy: -105.417
Base-Backbone interact. energy: -0.411
local terms energy: -141.403925
where:
bonds (distance) C4'-P energy: -28.040
bonds (distance) P-C4' energy: -24.917
flat angles C4'-P-C4' energy: -36.025
flat angles P-C4'-P energy: -22.191
tors. eta vs tors. theta energy: -30.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -414.149139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.149139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.149139 (E_RNA)
where:
Base-Base interactions energy: -276.002
where: short stacking energy: -116.652
Base-Backbone interact. energy: -1.666
local terms energy: -136.480835
where:
bonds (distance) C4'-P energy: -26.868
bonds (distance) P-C4' energy: -26.439
flat angles C4'-P-C4' energy: -31.944
flat angles P-C4'-P energy: -22.056
tors. eta vs tors. theta energy: -29.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -346.109251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.109251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.109251 (E_RNA)
where:
Base-Base interactions energy: -221.359
where: short stacking energy: -109.263
Base-Backbone interact. energy: -0.684
local terms energy: -124.066460
where:
bonds (distance) C4'-P energy: -25.527
bonds (distance) P-C4' energy: -35.286
flat angles C4'-P-C4' energy: -26.315
flat angles P-C4'-P energy: -19.000
tors. eta vs tors. theta energy: -17.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -296.269471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.269471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.269471 (E_RNA)
where:
Base-Base interactions energy: -167.424
where: short stacking energy: -88.098
Base-Backbone interact. energy: -0.530
local terms energy: -128.315874
where:
bonds (distance) C4'-P energy: -32.888
bonds (distance) P-C4' energy: -33.364
flat angles C4'-P-C4' energy: -26.508
flat angles P-C4'-P energy: -19.252
tors. eta vs tors. theta energy: -16.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -177.877567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.877567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.877567 (E_RNA)
where:
Base-Base interactions energy: -94.159
where: short stacking energy: -54.195
Base-Backbone interact. energy: -0.427
local terms energy: -83.291247
where:
bonds (distance) C4'-P energy: -22.055
bonds (distance) P-C4' energy: -22.352
flat angles C4'-P-C4' energy: -22.292
flat angles P-C4'-P energy: -15.998
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: 10, replica: 9
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -169.950683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.950683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.950683 (E_RNA)
where:
Base-Base interactions energy: -79.314
where: short stacking energy: -73.172
Base-Backbone interact. energy: 1.362
local terms energy: -91.999053
where:
bonds (distance) C4'-P energy: -19.156
bonds (distance) P-C4' energy: -30.398
flat angles C4'-P-C4' energy: -23.463
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -10.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -546.973719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.973719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.973719 (E_RNA)
where:
Base-Base interactions energy: -369.864
where: short stacking energy: -172.036
Base-Backbone interact. energy: -0.551
local terms energy: -176.558455
where:
bonds (distance) C4'-P energy: -35.687
bonds (distance) P-C4' energy: -30.188
flat angles C4'-P-C4' energy: -38.723
flat angles P-C4'-P energy: -20.723
tors. eta vs tors. theta energy: -51.238
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: 2
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -522.496239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.496239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.496239 (E_RNA)
where:
Base-Base interactions energy: -357.128
where: short stacking energy: -159.780
Base-Backbone interact. energy: -0.239
local terms energy: -165.129893
where:
bonds (distance) C4'-P energy: -30.021
bonds (distance) P-C4' energy: -35.642
flat angles C4'-P-C4' energy: -35.321
flat angles P-C4'-P energy: -24.420
tors. eta vs tors. theta energy: -39.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -501.427941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.427941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.427941 (E_RNA)
where:
Base-Base interactions energy: -334.009
where: short stacking energy: -152.615
Base-Backbone interact. energy: -3.915
local terms energy: -163.503985
where:
bonds (distance) C4'-P energy: -29.281
bonds (distance) P-C4' energy: -31.346
flat angles C4'-P-C4' energy: -34.244
flat angles P-C4'-P energy: -26.453
tors. eta vs tors. theta energy: -42.179
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: 1
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -451.400709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.400709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.400709 (E_RNA)
where:
Base-Base interactions energy: -297.347
where: short stacking energy: -135.349
Base-Backbone interact. energy: -1.451
local terms energy: -152.602688
where:
bonds (distance) C4'-P energy: -25.512
bonds (distance) P-C4' energy: -30.595
flat angles C4'-P-C4' energy: -29.674
flat angles P-C4'-P energy: -27.784
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: 5, replica: 8
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -374.269472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.269472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.269472 (E_RNA)
where:
Base-Base interactions energy: -231.187
where: short stacking energy: -116.442
Base-Backbone interact. energy: 0.586
local terms energy: -143.668250
where:
bonds (distance) C4'-P energy: -28.465
bonds (distance) P-C4' energy: -30.745
flat angles C4'-P-C4' energy: -32.873
flat angles P-C4'-P energy: -21.662
tors. eta vs tors. theta energy: -29.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -406.120362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.120362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.120362 (E_RNA)
where:
Base-Base interactions energy: -270.750
where: short stacking energy: -112.554
Base-Backbone interact. energy: -1.522
local terms energy: -133.848348
where:
bonds (distance) C4'-P energy: -23.757
bonds (distance) P-C4' energy: -29.336
flat angles C4'-P-C4' energy: -34.104
flat angles P-C4'-P energy: -22.149
tors. eta vs tors. theta energy: -24.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -337.952225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.952225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.952225 (E_RNA)
where:
Base-Base interactions energy: -208.435
where: short stacking energy: -110.520
Base-Backbone interact. energy: -1.355
local terms energy: -128.162187
where:
bonds (distance) C4'-P energy: -28.022
bonds (distance) P-C4' energy: -32.888
flat angles C4'-P-C4' energy: -20.232
flat angles P-C4'-P energy: -20.193
tors. eta vs tors. theta energy: -26.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -257.748719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.748719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.748719 (E_RNA)
where:
Base-Base interactions energy: -154.260
where: short stacking energy: -92.386
Base-Backbone interact. energy: -0.127
local terms energy: -103.362079
where:
bonds (distance) C4'-P energy: -25.349
bonds (distance) P-C4' energy: -25.239
flat angles C4'-P-C4' energy: -21.973
flat angles P-C4'-P energy: -18.033
tors. eta vs tors. theta energy: -12.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -166.979865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.979865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.979865 (E_RNA)
where:
Base-Base interactions energy: -71.323
where: short stacking energy: -50.386
Base-Backbone interact. energy: -0.342
local terms energy: -95.315196
where:
bonds (distance) C4'-P energy: -24.061
bonds (distance) P-C4' energy: -26.506
flat angles C4'-P-C4' energy: -24.996
flat angles P-C4'-P energy: -15.955
tors. eta vs tors. theta energy: -3.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -150.214664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.214664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.214664 (E_RNA)
where:
Base-Base interactions energy: -49.794
where: short stacking energy: -44.161
Base-Backbone interact. energy: -0.094
local terms energy: -100.326564
where:
bonds (distance) C4'-P energy: -26.231
bonds (distance) P-C4' energy: -29.527
flat angles C4'-P-C4' energy: -24.463
flat angles P-C4'-P energy: -13.908
tors. eta vs tors. theta energy: -6.197
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: 2
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -528.877698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.877698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.877698 (E_RNA)
where:
Base-Base interactions energy: -363.027
where: short stacking energy: -159.966
Base-Backbone interact. energy: -0.908
local terms energy: -164.943665
where:
bonds (distance) C4'-P energy: -28.856
bonds (distance) P-C4' energy: -28.789
flat angles C4'-P-C4' energy: -36.590
flat angles P-C4'-P energy: -20.373
tors. eta vs tors. theta energy: -50.337
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: 6
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -535.956577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.956577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.956577 (E_RNA)
where:
Base-Base interactions energy: -367.086
where: short stacking energy: -169.663
Base-Backbone interact. energy: -0.007
local terms energy: -168.863466
where:
bonds (distance) C4'-P energy: -28.080
bonds (distance) P-C4' energy: -25.454
flat angles C4'-P-C4' energy: -36.376
flat angles P-C4'-P energy: -26.293
tors. eta vs tors. theta energy: -52.660
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: 3, replica: 10
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -501.821723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.821723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.821723 (E_RNA)
where:
Base-Base interactions energy: -333.138
where: short stacking energy: -144.291
Base-Backbone interact. energy: -0.966
local terms energy: -167.718088
where:
bonds (distance) C4'-P energy: -30.392
bonds (distance) P-C4' energy: -32.637
flat angles C4'-P-C4' energy: -40.269
flat angles P-C4'-P energy: -23.224
tors. eta vs tors. theta energy: -41.196
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: 1
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -435.707685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.707685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.707685 (E_RNA)
where:
Base-Base interactions energy: -280.083
where: short stacking energy: -148.370
Base-Backbone interact. energy: -0.597
local terms energy: -155.027725
where:
bonds (distance) C4'-P energy: -30.932
bonds (distance) P-C4' energy: -31.427
flat angles C4'-P-C4' energy: -33.720
flat angles P-C4'-P energy: -22.015
tors. eta vs tors. theta energy: -36.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -432.971160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.971160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.971160 (E_RNA)
where:
Base-Base interactions energy: -289.918
where: short stacking energy: -121.661
Base-Backbone interact. energy: -0.485
local terms energy: -142.568078
where:
bonds (distance) C4'-P energy: -23.726
bonds (distance) P-C4' energy: -25.559
flat angles C4'-P-C4' energy: -38.250
flat angles P-C4'-P energy: -23.140
tors. eta vs tors. theta energy: -31.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -351.092081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.092081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.092081 (E_RNA)
where:
Base-Base interactions energy: -212.300
where: short stacking energy: -113.537
Base-Backbone interact. energy: -0.151
local terms energy: -138.640398
where:
bonds (distance) C4'-P energy: -36.962
bonds (distance) P-C4' energy: -29.530
flat angles C4'-P-C4' energy: -26.913
flat angles P-C4'-P energy: -21.104
tors. eta vs tors. theta energy: -24.130
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: 7
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -350.563672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.563672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.563672 (E_RNA)
where:
Base-Base interactions energy: -237.504
where: short stacking energy: -111.542
Base-Backbone interact. energy: -1.621
local terms energy: -111.437914
where:
bonds (distance) C4'-P energy: -26.052
bonds (distance) P-C4' energy: -21.535
flat angles C4'-P-C4' energy: -21.130
flat angles P-C4'-P energy: -17.812
tors. eta vs tors. theta energy: -24.909
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: 5
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -235.971737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.971737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.971737 (E_RNA)
where:
Base-Base interactions energy: -127.394
where: short stacking energy: -80.262
Base-Backbone interact. energy: -0.357
local terms energy: -108.220238
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -31.874
flat angles C4'-P-C4' energy: -32.083
flat angles P-C4'-P energy: -16.604
tors. eta vs tors. theta energy: -12.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -167.406002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.406002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.406002 (E_RNA)
where:
Base-Base interactions energy: -79.878
where: short stacking energy: -73.125
Base-Backbone interact. energy: -1.071
local terms energy: -86.456213
where:
bonds (distance) C4'-P energy: -13.384
bonds (distance) P-C4' energy: -26.313
flat angles C4'-P-C4' energy: -22.529
flat angles P-C4'-P energy: -12.947
tors. eta vs tors. theta energy: -11.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -146.939756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.939756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.939756 (E_RNA)
where:
Base-Base interactions energy: -62.905
where: short stacking energy: -46.426
Base-Backbone interact. energy: -1.573
local terms energy: -82.462124
where:
bonds (distance) C4'-P energy: -22.470
bonds (distance) P-C4' energy: -29.317
flat angles C4'-P-C4' energy: -26.227
flat angles P-C4'-P energy: -3.709
tors. eta vs tors. theta energy: -0.739
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: 2
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -530.390231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.390231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.390231 (E_RNA)
where:
Base-Base interactions energy: -359.546
where: short stacking energy: -178.865
Base-Backbone interact. energy: -0.696
local terms energy: -170.148871
where:
bonds (distance) C4'-P energy: -31.717
bonds (distance) P-C4' energy: -30.742
flat angles C4'-P-C4' energy: -35.113
flat angles P-C4'-P energy: -21.671
tors. eta vs tors. theta energy: -50.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -546.337926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.337926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.337926 (E_RNA)
where:
Base-Base interactions energy: -372.600
where: short stacking energy: -175.130
Base-Backbone interact. energy: -0.356
local terms energy: -173.381275
where:
bonds (distance) C4'-P energy: -34.316
bonds (distance) P-C4' energy: -35.139
flat angles C4'-P-C4' energy: -31.971
flat angles P-C4'-P energy: -25.090
tors. eta vs tors. theta energy: -46.866
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: 10
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -504.510975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.510975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.510975 (E_RNA)
where:
Base-Base interactions energy: -344.364
where: short stacking energy: -151.640
Base-Backbone interact. energy: -1.891
local terms energy: -158.256268
where:
bonds (distance) C4'-P energy: -30.363
bonds (distance) P-C4' energy: -34.390
flat angles C4'-P-C4' energy: -35.510
flat angles P-C4'-P energy: -21.668
tors. eta vs tors. theta energy: -36.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -435.586539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.586539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.586539 (E_RNA)
where:
Base-Base interactions energy: -279.037
where: short stacking energy: -123.741
Base-Backbone interact. energy: -1.843
local terms energy: -154.706030
where:
bonds (distance) C4'-P energy: -34.924
bonds (distance) P-C4' energy: -34.936
flat angles C4'-P-C4' energy: -28.639
flat angles P-C4'-P energy: -20.721
tors. eta vs tors. theta energy: -35.486
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: 5, replica: 1
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -409.996663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.996663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.996663 (E_RNA)
where:
Base-Base interactions energy: -259.653
where: short stacking energy: -122.520
Base-Backbone interact. energy: -0.349
local terms energy: -149.994565
where:
bonds (distance) C4'-P energy: -33.293
bonds (distance) P-C4' energy: -31.624
flat angles C4'-P-C4' energy: -32.031
flat angles P-C4'-P energy: -16.870
tors. eta vs tors. theta energy: -36.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -359.589638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.589638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.589638 (E_RNA)
where:
Base-Base interactions energy: -234.293
where: short stacking energy: -128.545
Base-Backbone interact. energy: -0.314
local terms energy: -124.982487
where:
bonds (distance) C4'-P energy: -26.284
bonds (distance) P-C4' energy: -27.186
flat angles C4'-P-C4' energy: -25.408
flat angles P-C4'-P energy: -14.874
tors. eta vs tors. theta energy: -31.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -340.381962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.381962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.381962 (E_RNA)
where:
Base-Base interactions energy: -210.720
where: short stacking energy: -102.059
Base-Backbone interact. energy: 0.720
local terms energy: -130.382719
where:
bonds (distance) C4'-P energy: -27.393
bonds (distance) P-C4' energy: -25.294
flat angles C4'-P-C4' energy: -33.493
flat angles P-C4'-P energy: -16.251
tors. eta vs tors. theta energy: -27.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -276.573501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.573501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.573501 (E_RNA)
where:
Base-Base interactions energy: -166.207
where: short stacking energy: -90.727
Base-Backbone interact. energy: -0.345
local terms energy: -110.021448
where:
bonds (distance) C4'-P energy: -28.451
bonds (distance) P-C4' energy: -25.084
flat angles C4'-P-C4' energy: -25.014
flat angles P-C4'-P energy: -15.265
tors. eta vs tors. theta energy: -16.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -174.633972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.633972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.633972 (E_RNA)
where:
Base-Base interactions energy: -71.225
where: short stacking energy: -56.549
Base-Backbone interact. energy: 0.230
local terms energy: -103.639609
where:
bonds (distance) C4'-P energy: -26.863
bonds (distance) P-C4' energy: -27.617
flat angles C4'-P-C4' energy: -29.322
flat angles P-C4'-P energy: -17.800
tors. eta vs tors. theta energy: -2.037
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: 4
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -159.949873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.949873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.949873 (E_RNA)
where:
Base-Base interactions energy: -58.918
where: short stacking energy: -53.022
Base-Backbone interact. energy: 0.186
local terms energy: -101.218744
where:
bonds (distance) C4'-P energy: -17.972
bonds (distance) P-C4' energy: -30.794
flat angles C4'-P-C4' energy: -29.577
flat angles P-C4'-P energy: -16.345
tors. eta vs tors. theta energy: -6.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -539.615397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.615397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.615397 (E_RNA)
where:
Base-Base interactions energy: -368.143
where: short stacking energy: -155.491
Base-Backbone interact. energy: -1.342
local terms energy: -170.129789
where:
bonds (distance) C4'-P energy: -31.115
bonds (distance) P-C4' energy: -34.279
flat angles C4'-P-C4' energy: -33.590
flat angles P-C4'-P energy: -25.782
tors. eta vs tors. theta energy: -45.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -526.144712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.144712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.144712 (E_RNA)
where:
Base-Base interactions energy: -355.367
where: short stacking energy: -154.838
Base-Backbone interact. energy: -0.773
local terms energy: -170.004921
where:
bonds (distance) C4'-P energy: -33.163
bonds (distance) P-C4' energy: -28.477
flat angles C4'-P-C4' energy: -39.231
flat angles P-C4'-P energy: -28.582
tors. eta vs tors. theta energy: -40.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -489.589289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.589289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.589289 (E_RNA)
where:
Base-Base interactions energy: -334.234
where: short stacking energy: -148.011
Base-Backbone interact. energy: -0.576
local terms energy: -154.779598
where:
bonds (distance) C4'-P energy: -32.877
bonds (distance) P-C4' energy: -29.104
flat angles C4'-P-C4' energy: -36.347
flat angles P-C4'-P energy: -21.864
tors. eta vs tors. theta energy: -34.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -438.145092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.145092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.145092 (E_RNA)
where:
Base-Base interactions energy: -290.099
where: short stacking energy: -127.193
Base-Backbone interact. energy: 0.712
local terms energy: -148.758399
where:
bonds (distance) C4'-P energy: -28.256
bonds (distance) P-C4' energy: -35.401
flat angles C4'-P-C4' energy: -33.375
flat angles P-C4'-P energy: -17.729
tors. eta vs tors. theta energy: -33.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -371.438326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.438326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.438326 (E_RNA)
where:
Base-Base interactions energy: -234.976
where: short stacking energy: -130.819
Base-Backbone interact. energy: -0.093
local terms energy: -136.369352
where:
bonds (distance) C4'-P energy: -26.608
bonds (distance) P-C4' energy: -28.682
flat angles C4'-P-C4' energy: -29.392
flat angles P-C4'-P energy: -20.306
tors. eta vs tors. theta energy: -31.382
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: 6, replica: 1
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -385.307655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.307655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.307655 (E_RNA)
where:
Base-Base interactions energy: -258.211
where: short stacking energy: -116.320
Base-Backbone interact. energy: -0.138
local terms energy: -126.958984
where:
bonds (distance) C4'-P energy: -27.027
bonds (distance) P-C4' energy: -25.382
flat angles C4'-P-C4' energy: -28.053
flat angles P-C4'-P energy: -18.189
tors. eta vs tors. theta energy: -28.307
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: 8
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -330.150430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.150430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.150430 (E_RNA)
where:
Base-Base interactions energy: -207.887
where: short stacking energy: -91.943
Base-Backbone interact. energy: 1.206
local terms energy: -123.468892
where:
bonds (distance) C4'-P energy: -21.034
bonds (distance) P-C4' energy: -27.307
flat angles C4'-P-C4' energy: -30.051
flat angles P-C4'-P energy: -19.817
tors. eta vs tors. theta energy: -25.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -282.741213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.741213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.741213 (E_RNA)
where:
Base-Base interactions energy: -170.969
where: short stacking energy: -65.568
Base-Backbone interact. energy: -1.900
local terms energy: -109.871829
where:
bonds (distance) C4'-P energy: -30.342
bonds (distance) P-C4' energy: -31.395
flat angles C4'-P-C4' energy: -22.509
flat angles P-C4'-P energy: -16.086
tors. eta vs tors. theta energy: -9.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -153.684947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.684947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.684947 (E_RNA)
where:
Base-Base interactions energy: -57.277
where: short stacking energy: -53.556
Base-Backbone interact. energy: -0.574
local terms energy: -95.833830
where:
bonds (distance) C4'-P energy: -24.713
bonds (distance) P-C4' energy: -31.347
flat angles C4'-P-C4' energy: -24.805
flat angles P-C4'-P energy: -17.698
tors. eta vs tors. theta energy: 2.730
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: 338
Temperature: 1.350000
Total energy: -158.172263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.172263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.172263 (E_RNA)
where:
Base-Base interactions energy: -61.483
where: short stacking energy: -56.116
Base-Backbone interact. energy: -1.102
local terms energy: -95.586497
where:
bonds (distance) C4'-P energy: -29.469
bonds (distance) P-C4' energy: -23.622
flat angles C4'-P-C4' energy: -31.196
flat angles P-C4'-P energy: -4.036
tors. eta vs tors. theta energy: -7.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -539.205266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.205266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.205266 (E_RNA)
where:
Base-Base interactions energy: -360.085
where: short stacking energy: -172.273
Base-Backbone interact. energy: 0.148
local terms energy: -179.268093
where:
bonds (distance) C4'-P energy: -32.871
bonds (distance) P-C4' energy: -31.111
flat angles C4'-P-C4' energy: -40.435
flat angles P-C4'-P energy: -22.917
tors. eta vs tors. theta energy: -51.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -531.164337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.164337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.164337 (E_RNA)
where:
Base-Base interactions energy: -364.273
where: short stacking energy: -148.381
Base-Backbone interact. energy: -0.660
local terms energy: -166.230768
where:
bonds (distance) C4'-P energy: -33.951
bonds (distance) P-C4' energy: -31.254
flat angles C4'-P-C4' energy: -31.795
flat angles P-C4'-P energy: -27.543
tors. eta vs tors. theta energy: -41.688
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: 10
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -467.327377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.327377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.327377 (E_RNA)
where:
Base-Base interactions energy: -308.285
where: short stacking energy: -135.172
Base-Backbone interact. energy: -1.305
local terms energy: -157.737065
where:
bonds (distance) C4'-P energy: -35.628
bonds (distance) P-C4' energy: -30.444
flat angles C4'-P-C4' energy: -34.437
flat angles P-C4'-P energy: -21.614
tors. eta vs tors. theta energy: -35.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -429.752964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.752964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.752964 (E_RNA)
where:
Base-Base interactions energy: -300.978
where: short stacking energy: -131.891
Base-Backbone interact. energy: -0.463
local terms energy: -128.311525
where:
bonds (distance) C4'-P energy: -30.752
bonds (distance) P-C4' energy: -26.756
flat angles C4'-P-C4' energy: -27.815
flat angles P-C4'-P energy: -20.953
tors. eta vs tors. theta energy: -22.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -361.428405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.428405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.428405 (E_RNA)
where:
Base-Base interactions energy: -218.015
where: short stacking energy: -97.883
Base-Backbone interact. energy: 0.663
local terms energy: -144.076425
where:
bonds (distance) C4'-P energy: -35.314
bonds (distance) P-C4' energy: -34.405
flat angles C4'-P-C4' energy: -28.888
flat angles P-C4'-P energy: -16.880
tors. eta vs tors. theta energy: -28.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -365.998466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.998466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.998466 (E_RNA)
where:
Base-Base interactions energy: -219.525
where: short stacking energy: -110.067
Base-Backbone interact. energy: -0.021
local terms energy: -146.452195
where:
bonds (distance) C4'-P energy: -27.423
bonds (distance) P-C4' energy: -29.218
flat angles C4'-P-C4' energy: -35.682
flat angles P-C4'-P energy: -23.904
tors. eta vs tors. theta energy: -30.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -385.084556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.084556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.084556 (E_RNA)
where:
Base-Base interactions energy: -251.799
where: short stacking energy: -104.289
Base-Backbone interact. energy: -1.532
local terms energy: -131.753679
where:
bonds (distance) C4'-P energy: -26.513
bonds (distance) P-C4' energy: -27.839
flat angles C4'-P-C4' energy: -34.706
flat angles P-C4'-P energy: -17.381
tors. eta vs tors. theta energy: -25.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -262.666773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.666773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.666773 (E_RNA)
where:
Base-Base interactions energy: -150.767
where: short stacking energy: -78.013
Base-Backbone interact. energy: -0.612
local terms energy: -111.287600
where:
bonds (distance) C4'-P energy: -25.320
bonds (distance) P-C4' energy: -28.566
flat angles C4'-P-C4' energy: -24.538
flat angles P-C4'-P energy: -18.226
tors. eta vs tors. theta energy: -14.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -152.657966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.657966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.657966 (E_RNA)
where:
Base-Base interactions energy: -60.010
where: short stacking energy: -49.542
Base-Backbone interact. energy: -0.126
local terms energy: -92.521982
where:
bonds (distance) C4'-P energy: -26.841
bonds (distance) P-C4' energy: -29.040
flat angles C4'-P-C4' energy: -25.751
flat angles P-C4'-P energy: -7.070
tors. eta vs tors. theta energy: -3.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -147.098923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.098923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.098923 (E_RNA)
where:
Base-Base interactions energy: -58.082
where: short stacking energy: -55.560
Base-Backbone interact. energy: 1.684
local terms energy: -90.701137
where:
bonds (distance) C4'-P energy: -24.491
bonds (distance) P-C4' energy: -21.761
flat angles C4'-P-C4' energy: -23.331
flat angles P-C4'-P energy: -15.249
tors. eta vs tors. theta energy: -5.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -530.877411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.877411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.877411 (E_RNA)
where:
Base-Base interactions energy: -364.384
where: short stacking energy: -162.922
Base-Backbone interact. energy: -0.016
local terms energy: -166.476799
where:
bonds (distance) C4'-P energy: -29.887
bonds (distance) P-C4' energy: -28.731
flat angles C4'-P-C4' energy: -36.648
flat angles P-C4'-P energy: -25.522
tors. eta vs tors. theta energy: -45.689
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: 2, replica: 6
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -531.162227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.162227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.162227 (E_RNA)
where:
Base-Base interactions energy: -358.560
where: short stacking energy: -156.007
Base-Backbone interact. energy: -0.476
local terms energy: -172.126872
where:
bonds (distance) C4'-P energy: -35.241
bonds (distance) P-C4' energy: -35.432
flat angles C4'-P-C4' energy: -29.420
flat angles P-C4'-P energy: -27.598
tors. eta vs tors. theta energy: -44.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -461.748049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.748049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.748049 (E_RNA)
where:
Base-Base interactions energy: -291.160
where: short stacking energy: -146.711
Base-Backbone interact. energy: -2.135
local terms energy: -168.452555
where:
bonds (distance) C4'-P energy: -32.618
bonds (distance) P-C4' energy: -35.274
flat angles C4'-P-C4' energy: -34.115
flat angles P-C4'-P energy: -21.355
tors. eta vs tors. theta energy: -45.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -478.562715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.562715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.562715 (E_RNA)
where:
Base-Base interactions energy: -321.429
where: short stacking energy: -139.284
Base-Backbone interact. energy: -1.629
local terms energy: -155.504883
where:
bonds (distance) C4'-P energy: -26.658
bonds (distance) P-C4' energy: -27.025
flat angles C4'-P-C4' energy: -35.299
flat angles P-C4'-P energy: -24.911
tors. eta vs tors. theta energy: -41.613
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: 8
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -367.736812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.736812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.736812 (E_RNA)
where:
Base-Base interactions energy: -222.887
where: short stacking energy: -126.151
Base-Backbone interact. energy: -0.097
local terms energy: -144.752308
where:
bonds (distance) C4'-P energy: -29.402
bonds (distance) P-C4' energy: -25.452
flat angles C4'-P-C4' energy: -37.294
flat angles P-C4'-P energy: -17.981
tors. eta vs tors. theta energy: -34.623
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: 7
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -359.183201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.183201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.183201 (E_RNA)
where:
Base-Base interactions energy: -210.101
where: short stacking energy: -104.769
Base-Backbone interact. energy: -0.226
local terms energy: -148.856348
where:
bonds (distance) C4'-P energy: -30.744
bonds (distance) P-C4' energy: -31.980
flat angles C4'-P-C4' energy: -33.753
flat angles P-C4'-P energy: -22.708
tors. eta vs tors. theta energy: -29.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -332.229789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.229789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.229789 (E_RNA)
where:
Base-Base interactions energy: -209.002
where: short stacking energy: -113.468
Base-Backbone interact. energy: -0.443
local terms energy: -122.784208
where:
bonds (distance) C4'-P energy: -28.982
bonds (distance) P-C4' energy: -27.629
flat angles C4'-P-C4' energy: -22.411
flat angles P-C4'-P energy: -15.628
tors. eta vs tors. theta energy: -28.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -234.144179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.144179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.144179 (E_RNA)
where:
Base-Base interactions energy: -117.377
where: short stacking energy: -60.649
Base-Backbone interact. energy: -0.204
local terms energy: -116.563721
where:
bonds (distance) C4'-P energy: -27.998
bonds (distance) P-C4' energy: -31.310
flat angles C4'-P-C4' energy: -23.392
flat angles P-C4'-P energy: -23.803
tors. eta vs tors. theta energy: -10.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -161.077110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.077110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.077110 (E_RNA)
where:
Base-Base interactions energy: -69.425
where: short stacking energy: -60.551
Base-Backbone interact. energy: -1.840
local terms energy: -89.812208
where:
bonds (distance) C4'-P energy: -22.683
bonds (distance) P-C4' energy: -32.706
flat angles C4'-P-C4' energy: -22.457
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: -2.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -147.153190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.153190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.153190 (E_RNA)
where:
Base-Base interactions energy: -50.812
where: short stacking energy: -45.205
Base-Backbone interact. energy: 0.978
local terms energy: -97.319870
where:
bonds (distance) C4'-P energy: -23.943
bonds (distance) P-C4' energy: -31.119
flat angles C4'-P-C4' energy: -26.099
flat angles P-C4'-P energy: -17.992
tors. eta vs tors. theta energy: 1.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -537.131082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.131082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.131082 (E_RNA)
where:
Base-Base interactions energy: -368.020
where: short stacking energy: -161.389
Base-Backbone interact. energy: -0.446
local terms energy: -168.664704
where:
bonds (distance) C4'-P energy: -34.590
bonds (distance) P-C4' energy: -34.940
flat angles C4'-P-C4' energy: -33.321
flat angles P-C4'-P energy: -19.674
tors. eta vs tors. theta energy: -46.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -532.393259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.393259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.393259 (E_RNA)
where:
Base-Base interactions energy: -371.589
where: short stacking energy: -169.799
Base-Backbone interact. energy: -0.135
local terms energy: -160.669740
where:
bonds (distance) C4'-P energy: -18.641
bonds (distance) P-C4' energy: -36.036
flat angles C4'-P-C4' energy: -34.916
flat angles P-C4'-P energy: -27.381
tors. eta vs tors. theta energy: -43.696
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: 3
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -451.322401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.322401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.322401 (E_RNA)
where:
Base-Base interactions energy: -288.585
where: short stacking energy: -127.584
Base-Backbone interact. energy: 0.828
local terms energy: -163.565319
where:
bonds (distance) C4'-P energy: -36.019
bonds (distance) P-C4' energy: -31.672
flat angles C4'-P-C4' energy: -31.627
flat angles P-C4'-P energy: -25.199
tors. eta vs tors. theta energy: -39.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -479.717863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.717863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.717863 (E_RNA)
where:
Base-Base interactions energy: -318.199
where: short stacking energy: -142.991
Base-Backbone interact. energy: -1.223
local terms energy: -160.296645
where:
bonds (distance) C4'-P energy: -32.323
bonds (distance) P-C4' energy: -36.282
flat angles C4'-P-C4' energy: -30.258
flat angles P-C4'-P energy: -21.540
tors. eta vs tors. theta energy: -39.893
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: 341
Temperature: 1.100000
Total energy: -359.180766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.180766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.180766 (E_RNA)
where:
Base-Base interactions energy: -218.477
where: short stacking energy: -110.039
Base-Backbone interact. energy: -0.657
local terms energy: -140.047112
where:
bonds (distance) C4'-P energy: -27.358
bonds (distance) P-C4' energy: -31.487
flat angles C4'-P-C4' energy: -32.978
flat angles P-C4'-P energy: -18.711
tors. eta vs tors. theta energy: -29.514
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: 1
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -346.529016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.529016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.529016 (E_RNA)
where:
Base-Base interactions energy: -221.964
where: short stacking energy: -125.573
Base-Backbone interact. energy: -0.102
local terms energy: -124.463028
where:
bonds (distance) C4'-P energy: -18.279
bonds (distance) P-C4' energy: -25.876
flat angles C4'-P-C4' energy: -33.491
flat angles P-C4'-P energy: -18.903
tors. eta vs tors. theta energy: -27.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -320.377455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.377455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.377455 (E_RNA)
where:
Base-Base interactions energy: -193.061
where: short stacking energy: -94.462
Base-Backbone interact. energy: 0.159
local terms energy: -127.475716
where:
bonds (distance) C4'-P energy: -29.451
bonds (distance) P-C4' energy: -36.238
flat angles C4'-P-C4' energy: -24.138
flat angles P-C4'-P energy: -13.595
tors. eta vs tors. theta energy: -24.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -241.278197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.278197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.278197 (E_RNA)
where:
Base-Base interactions energy: -124.346
where: short stacking energy: -76.446
Base-Backbone interact. energy: -0.862
local terms energy: -116.069902
where:
bonds (distance) C4'-P energy: -31.081
bonds (distance) P-C4' energy: -28.126
flat angles C4'-P-C4' energy: -30.840
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -14.468
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: 4
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -164.364934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.364934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.364934 (E_RNA)
where:
Base-Base interactions energy: -65.467
where: short stacking energy: -63.300
Base-Backbone interact. energy: -0.245
local terms energy: -98.653291
where:
bonds (distance) C4'-P energy: -27.883
bonds (distance) P-C4' energy: -31.391
flat angles C4'-P-C4' energy: -21.221
flat angles P-C4'-P energy: -16.529
tors. eta vs tors. theta energy: -1.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -136.223653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.223653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.223653 (E_RNA)
where:
Base-Base interactions energy: -50.688
where: short stacking energy: -43.177
Base-Backbone interact. energy: -0.317
local terms energy: -85.218456
where:
bonds (distance) C4'-P energy: -22.642
bonds (distance) P-C4' energy: -18.972
flat angles C4'-P-C4' energy: -21.718
flat angles P-C4'-P energy: -15.979
tors. eta vs tors. theta energy: -5.907
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: 1, replica: 6
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -547.194431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.194431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.194431 (E_RNA)
where:
Base-Base interactions energy: -370.512
where: short stacking energy: -164.497
Base-Backbone interact. energy: -0.610
local terms energy: -176.072455
where:
bonds (distance) C4'-P energy: -31.754
bonds (distance) P-C4' energy: -37.526
flat angles C4'-P-C4' energy: -38.866
flat angles P-C4'-P energy: -26.506
tors. eta vs tors. theta energy: -41.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -528.888137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.888137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.888137 (E_RNA)
where:
Base-Base interactions energy: -359.761
where: short stacking energy: -174.382
Base-Backbone interact. energy: -0.680
local terms energy: -168.447552
where:
bonds (distance) C4'-P energy: -29.159
bonds (distance) P-C4' energy: -31.215
flat angles C4'-P-C4' energy: -35.769
flat angles P-C4'-P energy: -23.109
tors. eta vs tors. theta energy: -49.195
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: 10
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -490.652784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.652784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.652784 (E_RNA)
where:
Base-Base interactions energy: -330.224
where: short stacking energy: -154.643
Base-Backbone interact. energy: -0.977
local terms energy: -159.451962
where:
bonds (distance) C4'-P energy: -32.703
bonds (distance) P-C4' energy: -28.387
flat angles C4'-P-C4' energy: -37.275
flat angles P-C4'-P energy: -21.205
tors. eta vs tors. theta energy: -39.882
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: 3
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -439.710671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.710671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.710671 (E_RNA)
where:
Base-Base interactions energy: -288.418
where: short stacking energy: -140.140
Base-Backbone interact. energy: -1.212
local terms energy: -150.080526
where:
bonds (distance) C4'-P energy: -28.804
bonds (distance) P-C4' energy: -29.422
flat angles C4'-P-C4' energy: -33.103
flat angles P-C4'-P energy: -15.995
tors. eta vs tors. theta energy: -42.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -356.342246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.342246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.342246 (E_RNA)
where:
Base-Base interactions energy: -230.237
where: short stacking energy: -120.210
Base-Backbone interact. energy: -0.645
local terms energy: -125.460668
where:
bonds (distance) C4'-P energy: -22.852
bonds (distance) P-C4' energy: -25.166
flat angles C4'-P-C4' energy: -33.248
flat angles P-C4'-P energy: -16.637
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: 6, replica: 8
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -334.890157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.890157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.890157 (E_RNA)
where:
Base-Base interactions energy: -209.006
where: short stacking energy: -110.477
Base-Backbone interact. energy: -0.813
local terms energy: -125.070909
where:
bonds (distance) C4'-P energy: -23.744
bonds (distance) P-C4' energy: -31.029
flat angles C4'-P-C4' energy: -31.313
flat angles P-C4'-P energy: -17.396
tors. eta vs tors. theta energy: -21.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -342.015498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.015498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.015498 (E_RNA)
where:
Base-Base interactions energy: -205.591
where: short stacking energy: -107.533
Base-Backbone interact. energy: -0.166
local terms energy: -136.258150
where:
bonds (distance) C4'-P energy: -26.874
bonds (distance) P-C4' energy: -29.933
flat angles C4'-P-C4' energy: -28.723
flat angles P-C4'-P energy: -18.156
tors. eta vs tors. theta energy: -32.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -234.593444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.593444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.593444 (E_RNA)
where:
Base-Base interactions energy: -122.633
where: short stacking energy: -72.201
Base-Backbone interact. energy: 0.094
local terms energy: -112.054433
where:
bonds (distance) C4'-P energy: -33.621
bonds (distance) P-C4' energy: -27.796
flat angles C4'-P-C4' energy: -31.840
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -8.343
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: 9
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -188.773515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.773515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.773515 (E_RNA)
where:
Base-Base interactions energy: -84.976
where: short stacking energy: -62.511
Base-Backbone interact. energy: -0.427
local terms energy: -103.370643
where:
bonds (distance) C4'-P energy: -27.932
bonds (distance) P-C4' energy: -29.720
flat angles C4'-P-C4' energy: -24.784
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -13.337
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: 4
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -206.479792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.479792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.479792 (E_RNA)
where:
Base-Base interactions energy: -119.884
where: short stacking energy: -68.463
Base-Backbone interact. energy: -0.783
local terms energy: -85.813326
where:
bonds (distance) C4'-P energy: -16.998
bonds (distance) P-C4' energy: -24.349
flat angles C4'-P-C4' energy: -25.282
flat angles P-C4'-P energy: -12.284
tors. eta vs tors. theta energy: -6.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -543.758135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.758135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.758135 (E_RNA)
where:
Base-Base interactions energy: -368.843
where: short stacking energy: -163.310
Base-Backbone interact. energy: -0.721
local terms energy: -174.194335
where:
bonds (distance) C4'-P energy: -34.528
bonds (distance) P-C4' energy: -34.494
flat angles C4'-P-C4' energy: -33.983
flat angles P-C4'-P energy: -25.347
tors. eta vs tors. theta energy: -45.842
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: 2
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -514.327746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.327746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.327746 (E_RNA)
where:
Base-Base interactions energy: -347.662
where: short stacking energy: -151.382
Base-Backbone interact. energy: -0.340
local terms energy: -166.326436
where:
bonds (distance) C4'-P energy: -32.050
bonds (distance) P-C4' energy: -35.402
flat angles C4'-P-C4' energy: -29.315
flat angles P-C4'-P energy: -23.982
tors. eta vs tors. theta energy: -45.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -516.565553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.565553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.565553 (E_RNA)
where:
Base-Base interactions energy: -339.863
where: short stacking energy: -151.452
Base-Backbone interact. energy: -1.754
local terms energy: -174.947651
where:
bonds (distance) C4'-P energy: -30.971
bonds (distance) P-C4' energy: -29.017
flat angles C4'-P-C4' energy: -38.968
flat angles P-C4'-P energy: -27.678
tors. eta vs tors. theta energy: -48.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -452.882369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.882369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.882369 (E_RNA)
where:
Base-Base interactions energy: -303.533
where: short stacking energy: -153.293
Base-Backbone interact. energy: -1.000
local terms energy: -148.349655
where:
bonds (distance) C4'-P energy: -24.901
bonds (distance) P-C4' energy: -31.632
flat angles C4'-P-C4' energy: -31.426
flat angles P-C4'-P energy: -23.011
tors. eta vs tors. theta energy: -37.380
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: 1
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -336.060211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.060211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.060211 (E_RNA)
where:
Base-Base interactions energy: -194.084
where: short stacking energy: -116.693
Base-Backbone interact. energy: -0.060
local terms energy: -141.916807
where:
bonds (distance) C4'-P energy: -31.572
bonds (distance) P-C4' energy: -24.276
flat angles C4'-P-C4' energy: -32.855
flat angles P-C4'-P energy: -23.244
tors. eta vs tors. theta energy: -29.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -335.584631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.584631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.584631 (E_RNA)
where:
Base-Base interactions energy: -218.945
where: short stacking energy: -95.532
Base-Backbone interact. energy: -1.066
local terms energy: -115.572815
where:
bonds (distance) C4'-P energy: -22.858
bonds (distance) P-C4' energy: -29.014
flat angles C4'-P-C4' energy: -32.101
flat angles P-C4'-P energy: -14.048
tors. eta vs tors. theta energy: -17.552
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: 7, replica: 7
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -320.078726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.078726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.078726 (E_RNA)
where:
Base-Base interactions energy: -190.986
where: short stacking energy: -89.675
Base-Backbone interact. energy: -0.364
local terms energy: -128.729430
where:
bonds (distance) C4'-P energy: -29.304
bonds (distance) P-C4' energy: -24.355
flat angles C4'-P-C4' energy: -34.470
flat angles P-C4'-P energy: -16.611
tors. eta vs tors. theta energy: -23.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -237.057935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.057935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.057935 (E_RNA)
where:
Base-Base interactions energy: -126.959
where: short stacking energy: -73.499
Base-Backbone interact. energy: -0.689
local terms energy: -109.409885
where:
bonds (distance) C4'-P energy: -32.656
bonds (distance) P-C4' energy: -27.393
flat angles C4'-P-C4' energy: -23.234
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -16.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -152.563330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.563330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.563330 (E_RNA)
where:
Base-Base interactions energy: -48.544
where: short stacking energy: -48.544
Base-Backbone interact. energy: -0.501
local terms energy: -103.519222
where:
bonds (distance) C4'-P energy: -29.261
bonds (distance) P-C4' energy: -25.483
flat angles C4'-P-C4' energy: -28.291
flat angles P-C4'-P energy: -18.411
tors. eta vs tors. theta energy: -2.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -173.998467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.998467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.998467 (E_RNA)
where:
Base-Base interactions energy: -81.196
where: short stacking energy: -54.811
Base-Backbone interact. energy: 0.554
local terms energy: -93.355883
where:
bonds (distance) C4'-P energy: -25.315
bonds (distance) P-C4' energy: -24.331
flat angles C4'-P-C4' energy: -24.801
flat angles P-C4'-P energy: -17.497
tors. eta vs tors. theta energy: -1.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -550.702829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.702829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.702829 (E_RNA)
where:
Base-Base interactions energy: -380.117
where: short stacking energy: -161.603
Base-Backbone interact. energy: -0.147
local terms energy: -170.438676
where:
bonds (distance) C4'-P energy: -27.941
bonds (distance) P-C4' energy: -35.032
flat angles C4'-P-C4' energy: -38.610
flat angles P-C4'-P energy: -23.271
tors. eta vs tors. theta energy: -45.585
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: 2
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -507.972495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.972495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.972495 (E_RNA)
where:
Base-Base interactions energy: -331.924
where: short stacking energy: -146.806
Base-Backbone interact. energy: -0.761
local terms energy: -175.287188
where:
bonds (distance) C4'-P energy: -28.723
bonds (distance) P-C4' energy: -37.348
flat angles C4'-P-C4' energy: -36.125
flat angles P-C4'-P energy: -24.597
tors. eta vs tors. theta energy: -48.494
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: 344
Temperature: 1.000000
Total energy: -496.682081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.682081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.682081 (E_RNA)
where:
Base-Base interactions energy: -325.908
where: short stacking energy: -137.938
Base-Backbone interact. energy: -0.001
local terms energy: -170.773260
where:
bonds (distance) C4'-P energy: -32.852
bonds (distance) P-C4' energy: -35.366
flat angles C4'-P-C4' energy: -32.054
flat angles P-C4'-P energy: -27.042
tors. eta vs tors. theta energy: -43.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -443.631626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.631626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.631626 (E_RNA)
where:
Base-Base interactions energy: -282.514
where: short stacking energy: -150.779
Base-Backbone interact. energy: -1.328
local terms energy: -159.790127
where:
bonds (distance) C4'-P energy: -32.941
bonds (distance) P-C4' energy: -26.006
flat angles C4'-P-C4' energy: -35.053
flat angles P-C4'-P energy: -24.438
tors. eta vs tors. theta energy: -41.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -359.011329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.011329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.011329 (E_RNA)
where:
Base-Base interactions energy: -221.210
where: short stacking energy: -111.979
Base-Backbone interact. energy: -0.427
local terms energy: -137.373623
where:
bonds (distance) C4'-P energy: -30.593
bonds (distance) P-C4' energy: -29.681
flat angles C4'-P-C4' energy: -33.208
flat angles P-C4'-P energy: -20.255
tors. eta vs tors. theta energy: -23.636
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: 6, replica: 1
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -330.704328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.704328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.704328 (E_RNA)
where:
Base-Base interactions energy: -194.868
where: short stacking energy: -114.403
Base-Backbone interact. energy: -0.534
local terms energy: -135.303071
where:
bonds (distance) C4'-P energy: -31.330
bonds (distance) P-C4' energy: -33.840
flat angles C4'-P-C4' energy: -27.141
flat angles P-C4'-P energy: -14.568
tors. eta vs tors. theta energy: -28.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -359.272236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.272236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.272236 (E_RNA)
where:
Base-Base interactions energy: -231.987
where: short stacking energy: -112.951
Base-Backbone interact. energy: -0.174
local terms energy: -127.110915
where:
bonds (distance) C4'-P energy: -30.368
bonds (distance) P-C4' energy: -29.572
flat angles C4'-P-C4' energy: -24.153
flat angles P-C4'-P energy: -14.994
tors. eta vs tors. theta energy: -28.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -246.558293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.558293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.558293 (E_RNA)
where:
Base-Base interactions energy: -129.844
where: short stacking energy: -83.020
Base-Backbone interact. energy: -0.510
local terms energy: -116.203542
where:
bonds (distance) C4'-P energy: -31.583
bonds (distance) P-C4' energy: -29.419
flat angles C4'-P-C4' energy: -22.578
flat angles P-C4'-P energy: -16.262
tors. eta vs tors. theta energy: -16.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -169.431031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.431031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.431031 (E_RNA)
where:
Base-Base interactions energy: -66.428
where: short stacking energy: -53.027
Base-Backbone interact. energy: 1.484
local terms energy: -104.486328
where:
bonds (distance) C4'-P energy: -21.920
bonds (distance) P-C4' energy: -25.684
flat angles C4'-P-C4' energy: -31.234
flat angles P-C4'-P energy: -15.360
tors. eta vs tors. theta energy: -10.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -152.254549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.254549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.254549 (E_RNA)
where:
Base-Base interactions energy: -50.326
where: short stacking energy: -49.700
Base-Backbone interact. energy: -0.042
local terms energy: -101.886493
where:
bonds (distance) C4'-P energy: -26.306
bonds (distance) P-C4' energy: -29.124
flat angles C4'-P-C4' energy: -23.610
flat angles P-C4'-P energy: -19.584
tors. eta vs tors. theta energy: -3.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -559.085358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.085358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.085358 (E_RNA)
where:
Base-Base interactions energy: -386.755
where: short stacking energy: -175.451
Base-Backbone interact. energy: -0.537
local terms energy: -171.792892
where:
bonds (distance) C4'-P energy: -31.730
bonds (distance) P-C4' energy: -29.764
flat angles C4'-P-C4' energy: -38.818
flat angles P-C4'-P energy: -23.121
tors. eta vs tors. theta energy: -48.360
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: 10
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -518.302736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.302736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.302736 (E_RNA)
where:
Base-Base interactions energy: -358.990
where: short stacking energy: -159.903
Base-Backbone interact. energy: -0.290
local terms energy: -159.022217
where:
bonds (distance) C4'-P energy: -29.642
bonds (distance) P-C4' energy: -29.444
flat angles C4'-P-C4' energy: -33.646
flat angles P-C4'-P energy: -24.311
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: 3, replica: 2
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -510.825231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.825231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.825231 (E_RNA)
where:
Base-Base interactions energy: -355.533
where: short stacking energy: -167.138
Base-Backbone interact. energy: -0.080
local terms energy: -155.212288
where:
bonds (distance) C4'-P energy: -25.531
bonds (distance) P-C4' energy: -33.310
flat angles C4'-P-C4' energy: -30.712
flat angles P-C4'-P energy: -19.328
tors. eta vs tors. theta energy: -46.332
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: 345
Temperature: 1.050000
Total energy: -445.561576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.561576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.561576 (E_RNA)
where:
Base-Base interactions energy: -291.959
where: short stacking energy: -130.963
Base-Backbone interact. energy: -0.560
local terms energy: -153.043007
where:
bonds (distance) C4'-P energy: -31.494
bonds (distance) P-C4' energy: -31.253
flat angles C4'-P-C4' energy: -29.842
flat angles P-C4'-P energy: -24.076
tors. eta vs tors. theta energy: -36.377
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: 8
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -345.417446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.417446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.417446 (E_RNA)
where:
Base-Base interactions energy: -216.605
where: short stacking energy: -102.927
Base-Backbone interact. energy: -0.384
local terms energy: -128.428334
where:
bonds (distance) C4'-P energy: -26.043
bonds (distance) P-C4' energy: -34.028
flat angles C4'-P-C4' energy: -29.752
flat angles P-C4'-P energy: -17.352
tors. eta vs tors. theta energy: -21.253
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: 7
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -359.696199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.696199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.696199 (E_RNA)
where:
Base-Base interactions energy: -229.117
where: short stacking energy: -100.179
Base-Backbone interact. energy: -0.500
local terms energy: -130.079815
where:
bonds (distance) C4'-P energy: -25.180
bonds (distance) P-C4' energy: -35.414
flat angles C4'-P-C4' energy: -29.155
flat angles P-C4'-P energy: -18.295
tors. eta vs tors. theta energy: -22.035
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: 7, replica: 1
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -297.004196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.004196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.004196 (E_RNA)
where:
Base-Base interactions energy: -182.069
where: short stacking energy: -96.837
Base-Backbone interact. energy: 0.275
local terms energy: -115.210343
where:
bonds (distance) C4'-P energy: -21.381
bonds (distance) P-C4' energy: -31.424
flat angles C4'-P-C4' energy: -20.423
flat angles P-C4'-P energy: -23.752
tors. eta vs tors. theta energy: -18.230
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: 5
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -244.501719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.501719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.501719 (E_RNA)
where:
Base-Base interactions energy: -146.498
where: short stacking energy: -79.390
Base-Backbone interact. energy: -1.858
local terms energy: -96.145968
where:
bonds (distance) C4'-P energy: -26.942
bonds (distance) P-C4' energy: -27.054
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -19.496
tors. eta vs tors. theta energy: -6.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -165.889813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.889813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.889813 (E_RNA)
where:
Base-Base interactions energy: -72.117
where: short stacking energy: -57.955
Base-Backbone interact. energy: 2.180
local terms energy: -95.952461
where:
bonds (distance) C4'-P energy: -24.731
bonds (distance) P-C4' energy: -26.459
flat angles C4'-P-C4' energy: -30.040
flat angles P-C4'-P energy: -14.084
tors. eta vs tors. theta energy: -0.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -146.614624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.614624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.614624 (E_RNA)
where:
Base-Base interactions energy: -53.679
where: short stacking energy: -52.758
Base-Backbone interact. energy: -0.673
local terms energy: -92.262740
where:
bonds (distance) C4'-P energy: -23.620
bonds (distance) P-C4' energy: -25.630
flat angles C4'-P-C4' energy: -18.779
flat angles P-C4'-P energy: -20.093
tors. eta vs tors. theta energy: -4.141
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: 6
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -536.706125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.706125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.706125 (E_RNA)
where:
Base-Base interactions energy: -360.037
where: short stacking energy: -147.827
Base-Backbone interact. energy: -0.117
local terms energy: -176.552330
where:
bonds (distance) C4'-P energy: -32.897
bonds (distance) P-C4' energy: -35.599
flat angles C4'-P-C4' energy: -37.996
flat angles P-C4'-P energy: -27.274
tors. eta vs tors. theta energy: -42.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -514.188623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.188623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.188623 (E_RNA)
where:
Base-Base interactions energy: -346.233
where: short stacking energy: -150.911
Base-Backbone interact. energy: -1.723
local terms energy: -166.232548
where:
bonds (distance) C4'-P energy: -32.645
bonds (distance) P-C4' energy: -32.107
flat angles C4'-P-C4' energy: -31.868
flat angles P-C4'-P energy: -22.446
tors. eta vs tors. theta energy: -47.168
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: 2
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -517.600859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.600859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.600859 (E_RNA)
where:
Base-Base interactions energy: -347.835
where: short stacking energy: -163.463
Base-Backbone interact. energy: -0.064
local terms energy: -169.701882
where:
bonds (distance) C4'-P energy: -36.229
bonds (distance) P-C4' energy: -19.324
flat angles C4'-P-C4' energy: -38.553
flat angles P-C4'-P energy: -28.090
tors. eta vs tors. theta energy: -47.506
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: 3
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -443.096766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.096766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.096766 (E_RNA)
where:
Base-Base interactions energy: -287.183
where: short stacking energy: -139.366
Base-Backbone interact. energy: -2.430
local terms energy: -153.483678
where:
bonds (distance) C4'-P energy: -33.156
bonds (distance) P-C4' energy: -29.625
flat angles C4'-P-C4' energy: -34.493
flat angles P-C4'-P energy: -17.641
tors. eta vs tors. theta energy: -38.569
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: 7
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -353.591402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.591402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.591402 (E_RNA)
where:
Base-Base interactions energy: -212.352
where: short stacking energy: -109.718
Base-Backbone interact. energy: 0.001
local terms energy: -141.241171
where:
bonds (distance) C4'-P energy: -24.517
bonds (distance) P-C4' energy: -31.106
flat angles C4'-P-C4' energy: -36.134
flat angles P-C4'-P energy: -21.446
tors. eta vs tors. theta energy: -28.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -329.138876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.138876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.138876 (E_RNA)
where:
Base-Base interactions energy: -196.285
where: short stacking energy: -110.001
Base-Backbone interact. energy: 1.708
local terms energy: -134.562250
where:
bonds (distance) C4'-P energy: -30.562
bonds (distance) P-C4' energy: -24.600
flat angles C4'-P-C4' energy: -31.434
flat angles P-C4'-P energy: -23.547
tors. eta vs tors. theta energy: -24.420
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: 346
Temperature: 1.200000
Total energy: -314.651695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.651695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.651695 (E_RNA)
where:
Base-Base interactions energy: -194.108
where: short stacking energy: -89.486
Base-Backbone interact. energy: -0.404
local terms energy: -120.139495
where:
bonds (distance) C4'-P energy: -28.816
bonds (distance) P-C4' energy: -33.501
flat angles C4'-P-C4' energy: -25.287
flat angles P-C4'-P energy: -17.351
tors. eta vs tors. theta energy: -15.185
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: 5
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -260.601875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.601875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.601875 (E_RNA)
where:
Base-Base interactions energy: -144.789
where: short stacking energy: -76.546
Base-Backbone interact. energy: -0.188
local terms energy: -115.624438
where:
bonds (distance) C4'-P energy: -27.791
bonds (distance) P-C4' energy: -29.988
flat angles C4'-P-C4' energy: -31.216
flat angles P-C4'-P energy: -12.843
tors. eta vs tors. theta energy: -13.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -162.685698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.685698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.685698 (E_RNA)
where:
Base-Base interactions energy: -68.984
where: short stacking energy: -67.840
Base-Backbone interact. energy: -1.046
local terms energy: -92.656192
where:
bonds (distance) C4'-P energy: -22.693
bonds (distance) P-C4' energy: -31.002
flat angles C4'-P-C4' energy: -19.705
flat angles P-C4'-P energy: -12.335
tors. eta vs tors. theta energy: -6.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -150.567842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.567842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.567842 (E_RNA)
where:
Base-Base interactions energy: -65.677
where: short stacking energy: -53.806
Base-Backbone interact. energy: -0.305
local terms energy: -84.585976
where:
bonds (distance) C4'-P energy: -30.173
bonds (distance) P-C4' energy: -22.601
flat angles C4'-P-C4' energy: -22.142
flat angles P-C4'-P energy: -14.173
tors. eta vs tors. theta energy: 4.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -537.895616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.895616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.895616 (E_RNA)
where:
Base-Base interactions energy: -364.691
where: short stacking energy: -165.214
Base-Backbone interact. energy: -0.396
local terms energy: -172.808294
where:
bonds (distance) C4'-P energy: -31.836
bonds (distance) P-C4' energy: -30.868
flat angles C4'-P-C4' energy: -35.291
flat angles P-C4'-P energy: -30.355
tors. eta vs tors. theta energy: -44.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -527.746367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.746367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.746367 (E_RNA)
where:
Base-Base interactions energy: -355.675
where: short stacking energy: -162.662
Base-Backbone interact. energy: -1.850
local terms energy: -170.221223
where:
bonds (distance) C4'-P energy: -33.798
bonds (distance) P-C4' energy: -34.089
flat angles C4'-P-C4' energy: -33.492
flat angles P-C4'-P energy: -20.014
tors. eta vs tors. theta energy: -48.828
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: 347
Temperature: 1.000000
Total energy: -517.027538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.027538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.027538 (E_RNA)
where:
Base-Base interactions energy: -362.683
where: short stacking energy: -162.845
Base-Backbone interact. energy: -0.006
local terms energy: -154.338254
where:
bonds (distance) C4'-P energy: -23.754
bonds (distance) P-C4' energy: -29.916
flat angles C4'-P-C4' energy: -35.901
flat angles P-C4'-P energy: -18.065
tors. eta vs tors. theta energy: -46.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -446.322487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.322487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.322487 (E_RNA)
where:
Base-Base interactions energy: -300.237
where: short stacking energy: -133.981
Base-Backbone interact. energy: -1.192
local terms energy: -144.892756
where:
bonds (distance) C4'-P energy: -25.153
bonds (distance) P-C4' energy: -33.320
flat angles C4'-P-C4' energy: -31.776
flat angles P-C4'-P energy: -23.117
tors. eta vs tors. theta energy: -31.527
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: 7
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -376.260459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.260459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.260459 (E_RNA)
where:
Base-Base interactions energy: -238.156
where: short stacking energy: -130.036
Base-Backbone interact. energy: -1.094
local terms energy: -137.009955
where:
bonds (distance) C4'-P energy: -27.932
bonds (distance) P-C4' energy: -27.456
flat angles C4'-P-C4' energy: -29.796
flat angles P-C4'-P energy: -19.573
tors. eta vs tors. theta energy: -32.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -315.280138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.280138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.280138 (E_RNA)
where:
Base-Base interactions energy: -183.706
where: short stacking energy: -93.476
Base-Backbone interact. energy: -0.659
local terms energy: -130.915277
where:
bonds (distance) C4'-P energy: -26.391
bonds (distance) P-C4' energy: -26.501
flat angles C4'-P-C4' energy: -32.830
flat angles P-C4'-P energy: -18.298
tors. eta vs tors. theta energy: -26.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -279.266452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.266452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.266452 (E_RNA)
where:
Base-Base interactions energy: -156.826
where: short stacking energy: -80.491
Base-Backbone interact. energy: -0.457
local terms energy: -121.982701
where:
bonds (distance) C4'-P energy: -26.985
bonds (distance) P-C4' energy: -31.734
flat angles C4'-P-C4' energy: -28.963
flat angles P-C4'-P energy: -14.019
tors. eta vs tors. theta energy: -20.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -251.606405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.606405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.606405 (E_RNA)
where:
Base-Base interactions energy: -135.028
where: short stacking energy: -82.643
Base-Backbone interact. energy: -0.768
local terms energy: -115.810332
where:
bonds (distance) C4'-P energy: -31.766
bonds (distance) P-C4' energy: -26.355
flat angles C4'-P-C4' energy: -28.703
flat angles P-C4'-P energy: -15.143
tors. eta vs tors. theta energy: -13.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -158.370223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.370223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.370223 (E_RNA)
where:
Base-Base interactions energy: -70.629
where: short stacking energy: -57.131
Base-Backbone interact. energy: -0.639
local terms energy: -87.102357
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -28.073
flat angles C4'-P-C4' energy: -25.366
flat angles P-C4'-P energy: -13.746
tors. eta vs tors. theta energy: -3.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -163.541938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.541938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.541938 (E_RNA)
where:
Base-Base interactions energy: -73.189
where: short stacking energy: -49.766
Base-Backbone interact. energy: 0.296
local terms energy: -90.648470
where:
bonds (distance) C4'-P energy: -26.687
bonds (distance) P-C4' energy: -28.087
flat angles C4'-P-C4' energy: -22.216
flat angles P-C4'-P energy: -14.505
tors. eta vs tors. theta energy: 0.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -541.389650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.389650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.389650 (E_RNA)
where:
Base-Base interactions energy: -365.411
where: short stacking energy: -174.911
Base-Backbone interact. energy: -0.007
local terms energy: -175.971821
where:
bonds (distance) C4'-P energy: -30.301
bonds (distance) P-C4' energy: -27.779
flat angles C4'-P-C4' energy: -38.633
flat angles P-C4'-P energy: -28.566
tors. eta vs tors. theta energy: -50.693
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: 2
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -526.520883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.520883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.520883 (E_RNA)
where:
Base-Base interactions energy: -356.538
where: short stacking energy: -156.010
Base-Backbone interact. energy: -1.205
local terms energy: -168.778007
where:
bonds (distance) C4'-P energy: -27.555
bonds (distance) P-C4' energy: -33.375
flat angles C4'-P-C4' energy: -34.244
flat angles P-C4'-P energy: -28.621
tors. eta vs tors. theta energy: -44.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -511.928802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.928802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.928802 (E_RNA)
where:
Base-Base interactions energy: -340.688
where: short stacking energy: -166.331
Base-Backbone interact. energy: -0.703
local terms energy: -170.537447
where:
bonds (distance) C4'-P energy: -28.953
bonds (distance) P-C4' energy: -30.686
flat angles C4'-P-C4' energy: -40.746
flat angles P-C4'-P energy: -26.585
tors. eta vs tors. theta energy: -43.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -452.201309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.201309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.201309 (E_RNA)
where:
Base-Base interactions energy: -300.551
where: short stacking energy: -126.249
Base-Backbone interact. energy: -0.065
local terms energy: -151.585484
where:
bonds (distance) C4'-P energy: -27.478
bonds (distance) P-C4' energy: -29.988
flat angles C4'-P-C4' energy: -31.733
flat angles P-C4'-P energy: -22.660
tors. eta vs tors. theta energy: -39.726
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: 7
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -370.003636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.003636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.003636 (E_RNA)
where:
Base-Base interactions energy: -231.080
where: short stacking energy: -109.336
Base-Backbone interact. energy: -0.417
local terms energy: -138.506297
where:
bonds (distance) C4'-P energy: -31.327
bonds (distance) P-C4' energy: -25.879
flat angles C4'-P-C4' energy: -33.279
flat angles P-C4'-P energy: -22.904
tors. eta vs tors. theta energy: -25.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -337.379610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.379610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.379610 (E_RNA)
where:
Base-Base interactions energy: -203.068
where: short stacking energy: -109.695
Base-Backbone interact. energy: -0.003
local terms energy: -134.309070
where:
bonds (distance) C4'-P energy: -26.248
bonds (distance) P-C4' energy: -30.320
flat angles C4'-P-C4' energy: -27.715
flat angles P-C4'-P energy: -24.651
tors. eta vs tors. theta energy: -25.375
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: 5
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -261.089691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.089691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.089691 (E_RNA)
where:
Base-Base interactions energy: -158.333
where: short stacking energy: -85.546
Base-Backbone interact. energy: 5.508
local terms energy: -108.265291
where:
bonds (distance) C4'-P energy: -25.267
bonds (distance) P-C4' energy: -29.906
flat angles C4'-P-C4' energy: -17.623
flat angles P-C4'-P energy: -21.323
tors. eta vs tors. theta energy: -14.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -308.486669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.486669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.486669 (E_RNA)
where:
Base-Base interactions energy: -192.037
where: short stacking energy: -104.264
Base-Backbone interact. energy: -0.200
local terms energy: -116.249624
where:
bonds (distance) C4'-P energy: -21.629
bonds (distance) P-C4' energy: -30.047
flat angles C4'-P-C4' energy: -26.470
flat angles P-C4'-P energy: -15.900
tors. eta vs tors. theta energy: -22.203
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: 9, replica: 9
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -166.941061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.941061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.941061 (E_RNA)
where:
Base-Base interactions energy: -65.741
where: short stacking energy: -61.234
Base-Backbone interact. energy: -1.134
local terms energy: -100.065700
where:
bonds (distance) C4'-P energy: -24.055
bonds (distance) P-C4' energy: -25.758
flat angles C4'-P-C4' energy: -29.726
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -9.280
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: 10, replica: 4
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -152.120822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.120822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.120822 (E_RNA)
where:
Base-Base interactions energy: -65.115
where: short stacking energy: -48.661
Base-Backbone interact. energy: -0.639
local terms energy: -86.367048
where:
bonds (distance) C4'-P energy: -20.395
bonds (distance) P-C4' energy: -22.410
flat angles C4'-P-C4' energy: -24.047
flat angles P-C4'-P energy: -15.391
tors. eta vs tors. theta energy: -4.123
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: 6
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -548.208952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.208952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.208952 (E_RNA)
where:
Base-Base interactions energy: -382.262
where: short stacking energy: -173.008
Base-Backbone interact. energy: -0.021
local terms energy: -165.925920
where:
bonds (distance) C4'-P energy: -30.583
bonds (distance) P-C4' energy: -28.823
flat angles C4'-P-C4' energy: -39.183
flat angles P-C4'-P energy: -22.696
tors. eta vs tors. theta energy: -44.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -497.677712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.677712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.677712 (E_RNA)
where:
Base-Base interactions energy: -328.857
where: short stacking energy: -159.945
Base-Backbone interact. energy: -0.802
local terms energy: -168.018847
where:
bonds (distance) C4'-P energy: -30.453
bonds (distance) P-C4' energy: -35.498
flat angles C4'-P-C4' energy: -37.479
flat angles P-C4'-P energy: -17.051
tors. eta vs tors. theta energy: -47.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -492.544192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.544192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.544192 (E_RNA)
where:
Base-Base interactions energy: -331.549
where: short stacking energy: -141.074
Base-Backbone interact. energy: -0.096
local terms energy: -160.898833
where:
bonds (distance) C4'-P energy: -33.137
bonds (distance) P-C4' energy: -27.500
flat angles C4'-P-C4' energy: -32.380
flat angles P-C4'-P energy: -23.291
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: 4, replica: 3
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -461.554309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.554309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.554309 (E_RNA)
where:
Base-Base interactions energy: -291.421
where: short stacking energy: -124.357
Base-Backbone interact. energy: -0.783
local terms energy: -169.351188
where:
bonds (distance) C4'-P energy: -37.381
bonds (distance) P-C4' energy: -33.309
flat angles C4'-P-C4' energy: -35.777
flat angles P-C4'-P energy: -26.110
tors. eta vs tors. theta energy: -36.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -368.496979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.496979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.496979 (E_RNA)
where:
Base-Base interactions energy: -237.062
where: short stacking energy: -114.286
Base-Backbone interact. energy: -0.223
local terms energy: -131.211110
where:
bonds (distance) C4'-P energy: -18.870
bonds (distance) P-C4' energy: -31.490
flat angles C4'-P-C4' energy: -32.579
flat angles P-C4'-P energy: -24.469
tors. eta vs tors. theta energy: -23.802
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: 349
Temperature: 1.150000
Total energy: -347.203826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.203826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.203826 (E_RNA)
where:
Base-Base interactions energy: -203.055
where: short stacking energy: -108.390
Base-Backbone interact. energy: -0.440
local terms energy: -143.708309
where:
bonds (distance) C4'-P energy: -34.139
bonds (distance) P-C4' energy: -31.374
flat angles C4'-P-C4' energy: -30.017
flat angles P-C4'-P energy: -23.291
tors. eta vs tors. theta energy: -24.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -259.973010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.973010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.973010 (E_RNA)
where:
Base-Base interactions energy: -132.843
where: short stacking energy: -69.240
Base-Backbone interact. energy: -0.199
local terms energy: -126.930981
where:
bonds (distance) C4'-P energy: -32.469
bonds (distance) P-C4' energy: -35.353
flat angles C4'-P-C4' energy: -29.920
flat angles P-C4'-P energy: -19.132
tors. eta vs tors. theta energy: -10.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -297.417183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.417183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.417183 (E_RNA)
where:
Base-Base interactions energy: -181.626
where: short stacking energy: -92.386
Base-Backbone interact. energy: -0.788
local terms energy: -115.003260
where:
bonds (distance) C4'-P energy: -32.997
bonds (distance) P-C4' energy: -27.950
flat angles C4'-P-C4' energy: -27.690
flat angles P-C4'-P energy: -12.597
tors. eta vs tors. theta energy: -13.768
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: 349
Temperature: 1.300000
Total energy: -210.938130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.938130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.938130 (E_RNA)
where:
Base-Base interactions energy: -109.180
where: short stacking energy: -76.417
Base-Backbone interact. energy: -1.072
local terms energy: -100.686163
where:
bonds (distance) C4'-P energy: -22.323
bonds (distance) P-C4' energy: -33.298
flat angles C4'-P-C4' energy: -22.560
flat angles P-C4'-P energy: -16.443
tors. eta vs tors. theta energy: -6.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -166.062035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.062035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.062035 (E_RNA)
where:
Base-Base interactions energy: -68.477
where: short stacking energy: -57.125
Base-Backbone interact. energy: 1.399
local terms energy: -98.983397
where:
bonds (distance) C4'-P energy: -23.211
bonds (distance) P-C4' energy: -25.806
flat angles C4'-P-C4' energy: -26.355
flat angles P-C4'-P energy: -17.173
tors. eta vs tors. theta energy: -6.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -542.409058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.409058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.409058 (E_RNA)
where:
Base-Base interactions energy: -367.255
where: short stacking energy: -170.561
Base-Backbone interact. energy: -0.597
local terms energy: -174.557551
where:
bonds (distance) C4'-P energy: -30.473
bonds (distance) P-C4' energy: -32.785
flat angles C4'-P-C4' energy: -36.403
flat angles P-C4'-P energy: -25.796
tors. eta vs tors. theta energy: -49.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -518.029331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.029331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.029331 (E_RNA)
where:
Base-Base interactions energy: -349.627
where: short stacking energy: -159.144
Base-Backbone interact. energy: -0.084
local terms energy: -168.318334
where:
bonds (distance) C4'-P energy: -33.146
bonds (distance) P-C4' energy: -32.107
flat angles C4'-P-C4' energy: -33.267
flat angles P-C4'-P energy: -25.765
tors. eta vs tors. theta energy: -44.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -503.194614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.194614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.194614 (E_RNA)
where:
Base-Base interactions energy: -334.874
where: short stacking energy: -142.673
Base-Backbone interact. energy: -0.350
local terms energy: -167.970530
where:
bonds (distance) C4'-P energy: -29.730
bonds (distance) P-C4' energy: -31.269
flat angles C4'-P-C4' energy: -33.768
flat angles P-C4'-P energy: -26.308
tors. eta vs tors. theta energy: -46.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -468.119294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.119294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.119294 (E_RNA)
where:
Base-Base interactions energy: -308.694
where: short stacking energy: -139.892
Base-Backbone interact. energy: -0.540
local terms energy: -158.884749
where:
bonds (distance) C4'-P energy: -27.506
bonds (distance) P-C4' energy: -31.471
flat angles C4'-P-C4' energy: -34.047
flat angles P-C4'-P energy: -21.522
tors. eta vs tors. theta energy: -44.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -366.073395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.073395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.073395 (E_RNA)
where:
Base-Base interactions energy: -237.607
where: short stacking energy: -100.646
Base-Backbone interact. energy: -0.651
local terms energy: -127.815622
where:
bonds (distance) C4'-P energy: -24.568
bonds (distance) P-C4' energy: -28.987
flat angles C4'-P-C4' energy: -28.566
flat angles P-C4'-P energy: -23.086
tors. eta vs tors. theta energy: -22.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -359.227468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.227468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.227468 (E_RNA)
where:
Base-Base interactions energy: -226.667
where: short stacking energy: -114.095
Base-Backbone interact. energy: -0.118
local terms energy: -132.442341
where:
bonds (distance) C4'-P energy: -23.990
bonds (distance) P-C4' energy: -27.963
flat angles C4'-P-C4' energy: -33.406
flat angles P-C4'-P energy: -16.224
tors. eta vs tors. theta energy: -30.859
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: 5
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -239.073956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.073956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.073956 (E_RNA)
where:
Base-Base interactions energy: -128.358
where: short stacking energy: -84.703
Base-Backbone interact. energy: 2.097
local terms energy: -112.813140
where:
bonds (distance) C4'-P energy: -24.649
bonds (distance) P-C4' energy: -28.456
flat angles C4'-P-C4' energy: -31.115
flat angles P-C4'-P energy: -15.619
tors. eta vs tors. theta energy: -12.973
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: 1
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -305.040339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.040339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.040339 (E_RNA)
where:
Base-Base interactions energy: -168.599
where: short stacking energy: -92.025
Base-Backbone interact. energy: -1.225
local terms energy: -135.216233
where:
bonds (distance) C4'-P energy: -29.961
bonds (distance) P-C4' energy: -33.943
flat angles C4'-P-C4' energy: -30.163
flat angles P-C4'-P energy: -21.350
tors. eta vs tors. theta energy: -19.799
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: 350
Temperature: 1.300000
Total energy: -247.721307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.721307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.721307 (E_RNA)
where:
Base-Base interactions energy: -139.912
where: short stacking energy: -93.828
Base-Backbone interact. energy: -0.484
local terms energy: -107.325362
where:
bonds (distance) C4'-P energy: -24.419
bonds (distance) P-C4' energy: -27.858
flat angles C4'-P-C4' energy: -27.763
flat angles P-C4'-P energy: -11.021
tors. eta vs tors. theta energy: -16.264
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: 10, replica: 4
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -154.491015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.491015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.491015 (E_RNA)
where:
Base-Base interactions energy: -49.094
where: short stacking energy: -44.303
Base-Backbone interact. energy: -0.687
local terms energy: -104.710290
where:
bonds (distance) C4'-P energy: -22.608
bonds (distance) P-C4' energy: -33.128
flat angles C4'-P-C4' energy: -26.413
flat angles P-C4'-P energy: -18.633
tors. eta vs tors. theta energy: -3.928
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: 6
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -550.688791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.688791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.688791 (E_RNA)
where:
Base-Base interactions energy: -370.936
where: short stacking energy: -162.293
Base-Backbone interact. energy: -0.138
local terms energy: -179.615221
where:
bonds (distance) C4'-P energy: -35.151
bonds (distance) P-C4' energy: -34.783
flat angles C4'-P-C4' energy: -32.706
flat angles P-C4'-P energy: -26.042
tors. eta vs tors. theta energy: -50.933
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: 10
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -512.831264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.831264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.831264 (E_RNA)
where:
Base-Base interactions energy: -345.238
where: short stacking energy: -143.666
Base-Backbone interact. energy: -0.182
local terms energy: -167.410650
where:
bonds (distance) C4'-P energy: -29.002
bonds (distance) P-C4' energy: -33.395
flat angles C4'-P-C4' energy: -37.867
flat angles P-C4'-P energy: -24.919
tors. eta vs tors. theta energy: -42.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -521.080415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.080415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.080415 (E_RNA)
where:
Base-Base interactions energy: -363.492
where: short stacking energy: -148.895
Base-Backbone interact. energy: 0.749
local terms energy: -158.337612
where:
bonds (distance) C4'-P energy: -20.955
bonds (distance) P-C4' energy: -31.868
flat angles C4'-P-C4' energy: -33.487
flat angles P-C4'-P energy: -23.460
tors. eta vs tors. theta energy: -48.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -450.667368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.667368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.667368 (E_RNA)
where:
Base-Base interactions energy: -296.940
where: short stacking energy: -136.222
Base-Backbone interact. energy: -0.427
local terms energy: -153.300607
where:
bonds (distance) C4'-P energy: -28.532
bonds (distance) P-C4' energy: -37.364
flat angles C4'-P-C4' energy: -32.481
flat angles P-C4'-P energy: -19.660
tors. eta vs tors. theta energy: -35.264
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: 7
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -380.665101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.665101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.665101 (E_RNA)
where:
Base-Base interactions energy: -244.246
where: short stacking energy: -117.449
Base-Backbone interact. energy: -0.857
local terms energy: -135.561716
where:
bonds (distance) C4'-P energy: -31.450
bonds (distance) P-C4' energy: -26.031
flat angles C4'-P-C4' energy: -27.356
flat angles P-C4'-P energy: -24.842
tors. eta vs tors. theta energy: -25.883
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: 8
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -338.618969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.618969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.618969 (E_RNA)
where:
Base-Base interactions energy: -200.021
where: short stacking energy: -103.593
Base-Backbone interact. energy: -0.260
local terms energy: -138.337648
where:
bonds (distance) C4'-P energy: -31.766
bonds (distance) P-C4' energy: -32.218
flat angles C4'-P-C4' energy: -29.670
flat angles P-C4'-P energy: -14.522
tors. eta vs tors. theta energy: -30.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -258.687236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.687236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.687236 (E_RNA)
where:
Base-Base interactions energy: -162.584
where: short stacking energy: -104.326
Base-Backbone interact. energy: -0.424
local terms energy: -95.679938
where:
bonds (distance) C4'-P energy: -14.448
bonds (distance) P-C4' energy: -27.131
flat angles C4'-P-C4' energy: -24.803
flat angles P-C4'-P energy: -18.741
tors. eta vs tors. theta energy: -10.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -306.675681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.675681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.675681 (E_RNA)
where:
Base-Base interactions energy: -198.830
where: short stacking energy: -98.449
Base-Backbone interact. energy: -0.426
local terms energy: -107.419157
where:
bonds (distance) C4'-P energy: -28.400
bonds (distance) P-C4' energy: -24.652
flat angles C4'-P-C4' energy: -19.711
flat angles P-C4'-P energy: -16.017
tors. eta vs tors. theta energy: -18.640
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: 351
Temperature: 1.300000
Total energy: -237.798751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.798751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.798751 (E_RNA)
where:
Base-Base interactions energy: -143.955
where: short stacking energy: -77.543
Base-Backbone interact. energy: -0.549
local terms energy: -93.294587
where:
bonds (distance) C4'-P energy: -21.295
bonds (distance) P-C4' energy: -21.610
flat angles C4'-P-C4' energy: -30.364
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -9.896
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: 4
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -165.714078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.714078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.714078 (E_RNA)
where:
Base-Base interactions energy: -63.016
where: short stacking energy: -58.270
Base-Backbone interact. energy: -0.025
local terms energy: -102.673443
where:
bonds (distance) C4'-P energy: -26.938
bonds (distance) P-C4' energy: -26.695
flat angles C4'-P-C4' energy: -21.575
flat angles P-C4'-P energy: -19.104
tors. eta vs tors. theta energy: -8.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -526.169314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.169314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.169314 (E_RNA)
where:
Base-Base interactions energy: -356.285
where: short stacking energy: -167.212
Base-Backbone interact. energy: -2.469
local terms energy: -167.415279
where:
bonds (distance) C4'-P energy: -32.517
bonds (distance) P-C4' energy: -35.000
flat angles C4'-P-C4' energy: -35.713
flat angles P-C4'-P energy: -19.505
tors. eta vs tors. theta energy: -44.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -540.600348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.600348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.600348 (E_RNA)
where:
Base-Base interactions energy: -371.372
where: short stacking energy: -169.851
Base-Backbone interact. energy: -0.010
local terms energy: -169.218952
where:
bonds (distance) C4'-P energy: -26.662
bonds (distance) P-C4' energy: -35.942
flat angles C4'-P-C4' energy: -39.905
flat angles P-C4'-P energy: -20.068
tors. eta vs tors. theta energy: -46.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -506.695527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.695527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.695527 (E_RNA)
where:
Base-Base interactions energy: -345.021
where: short stacking energy: -159.909
Base-Backbone interact. energy: -0.085
local terms energy: -161.589554
where:
bonds (distance) C4'-P energy: -27.892
bonds (distance) P-C4' energy: -34.072
flat angles C4'-P-C4' energy: -28.219
flat angles P-C4'-P energy: -24.065
tors. eta vs tors. theta energy: -47.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -445.174928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.174928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.174928 (E_RNA)
where:
Base-Base interactions energy: -308.054
where: short stacking energy: -135.792
Base-Backbone interact. energy: -0.433
local terms energy: -136.688242
where:
bonds (distance) C4'-P energy: -16.453
bonds (distance) P-C4' energy: -29.425
flat angles C4'-P-C4' energy: -28.300
flat angles P-C4'-P energy: -24.149
tors. eta vs tors. theta energy: -38.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -364.914270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.914270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.914270 (E_RNA)
where:
Base-Base interactions energy: -230.191
where: short stacking energy: -119.600
Base-Backbone interact. energy: -1.190
local terms energy: -133.533721
where:
bonds (distance) C4'-P energy: -31.000
bonds (distance) P-C4' energy: -26.739
flat angles C4'-P-C4' energy: -32.289
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -34.108
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: 352
Temperature: 1.150000
Total energy: -343.518046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.518046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.518046 (E_RNA)
where:
Base-Base interactions energy: -209.952
where: short stacking energy: -114.955
Base-Backbone interact. energy: -0.749
local terms energy: -132.817481
where:
bonds (distance) C4'-P energy: -32.945
bonds (distance) P-C4' energy: -25.414
flat angles C4'-P-C4' energy: -23.465
flat angles P-C4'-P energy: -24.313
tors. eta vs tors. theta energy: -26.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -326.791052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.791052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.791052 (E_RNA)
where:
Base-Base interactions energy: -202.131
where: short stacking energy: -97.106
Base-Backbone interact. energy: -1.283
local terms energy: -123.377045
where:
bonds (distance) C4'-P energy: -31.645
bonds (distance) P-C4' energy: -34.079
flat angles C4'-P-C4' energy: -25.852
flat angles P-C4'-P energy: -13.407
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: 8, replica: 5
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -244.428619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.428619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.428619 (E_RNA)
where:
Base-Base interactions energy: -142.106
where: short stacking energy: -75.501
Base-Backbone interact. energy: -0.665
local terms energy: -101.658512
where:
bonds (distance) C4'-P energy: -19.943
bonds (distance) P-C4' energy: -23.485
flat angles C4'-P-C4' energy: -22.839
flat angles P-C4'-P energy: -23.577
tors. eta vs tors. theta energy: -11.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -216.713250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.713250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.713250 (E_RNA)
where:
Base-Base interactions energy: -115.340
where: short stacking energy: -55.124
Base-Backbone interact. energy: -1.185
local terms energy: -100.189018
where:
bonds (distance) C4'-P energy: -31.712
bonds (distance) P-C4' energy: -23.383
flat angles C4'-P-C4' energy: -24.351
flat angles P-C4'-P energy: -17.221
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: 10, replica: 4
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -157.430515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.430515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.430515 (E_RNA)
where:
Base-Base interactions energy: -74.746
where: short stacking energy: -52.941
Base-Backbone interact. energy: 0.372
local terms energy: -83.056032
where:
bonds (distance) C4'-P energy: -28.408
bonds (distance) P-C4' energy: -29.448
flat angles C4'-P-C4' energy: -18.851
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: 3.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -526.812372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.812372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.812372 (E_RNA)
where:
Base-Base interactions energy: -363.172
where: short stacking energy: -158.148
Base-Backbone interact. energy: -0.958
local terms energy: -162.682513
where:
bonds (distance) C4'-P energy: -33.232
bonds (distance) P-C4' energy: -31.797
flat angles C4'-P-C4' energy: -35.466
flat angles P-C4'-P energy: -23.728
tors. eta vs tors. theta energy: -38.460
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: 2, replica: 2
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -514.800736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.800736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.800736 (E_RNA)
where:
Base-Base interactions energy: -366.011
where: short stacking energy: -163.177
Base-Backbone interact. energy: -0.702
local terms energy: -148.087416
where:
bonds (distance) C4'-P energy: -27.891
bonds (distance) P-C4' energy: -26.242
flat angles C4'-P-C4' energy: -34.801
flat angles P-C4'-P energy: -19.543
tors. eta vs tors. theta energy: -39.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -531.604474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.604474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.604474 (E_RNA)
where:
Base-Base interactions energy: -371.538
where: short stacking energy: -160.997
Base-Backbone interact. energy: -0.738
local terms energy: -159.328648
where:
bonds (distance) C4'-P energy: -31.557
bonds (distance) P-C4' energy: -29.299
flat angles C4'-P-C4' energy: -37.019
flat angles P-C4'-P energy: -18.616
tors. eta vs tors. theta energy: -42.838
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: 4, replica: 3
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -444.438403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.438403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.438403 (E_RNA)
where:
Base-Base interactions energy: -291.517
where: short stacking energy: -129.886
Base-Backbone interact. energy: -0.178
local terms energy: -152.742782
where:
bonds (distance) C4'-P energy: -30.871
bonds (distance) P-C4' energy: -33.273
flat angles C4'-P-C4' energy: -30.142
flat angles P-C4'-P energy: -23.174
tors. eta vs tors. theta energy: -35.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -345.094042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.094042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.094042 (E_RNA)
where:
Base-Base interactions energy: -209.943
where: short stacking energy: -110.288
Base-Backbone interact. energy: -0.655
local terms energy: -134.495767
where:
bonds (distance) C4'-P energy: -26.255
bonds (distance) P-C4' energy: -24.403
flat angles C4'-P-C4' energy: -29.587
flat angles P-C4'-P energy: -17.958
tors. eta vs tors. theta energy: -36.293
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: 8
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -336.517925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.517925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.517925 (E_RNA)
where:
Base-Base interactions energy: -213.042
where: short stacking energy: -106.207
Base-Backbone interact. energy: 3.527
local terms energy: -127.003616
where:
bonds (distance) C4'-P energy: -32.917
bonds (distance) P-C4' energy: -24.828
flat angles C4'-P-C4' energy: -23.868
flat angles P-C4'-P energy: -22.918
tors. eta vs tors. theta energy: -22.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -306.603098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.603098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.603098 (E_RNA)
where:
Base-Base interactions energy: -200.723
where: short stacking energy: -99.716
Base-Backbone interact. energy: 0.295
local terms energy: -106.174792
where:
bonds (distance) C4'-P energy: -31.782
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -21.817
flat angles P-C4'-P energy: -18.436
tors. eta vs tors. theta energy: -18.048
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: 8, replica: 9
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -261.824899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.824899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.824899 (E_RNA)
where:
Base-Base interactions energy: -136.770
where: short stacking energy: -62.113
Base-Backbone interact. energy: -0.639
local terms energy: -124.416497
where:
bonds (distance) C4'-P energy: -31.708
bonds (distance) P-C4' energy: -34.612
flat angles C4'-P-C4' energy: -27.754
flat angles P-C4'-P energy: -20.486
tors. eta vs tors. theta energy: -9.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -229.889148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.889148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.889148 (E_RNA)
where:
Base-Base interactions energy: -110.041
where: short stacking energy: -64.824
Base-Backbone interact. energy: -0.745
local terms energy: -119.102809
where:
bonds (distance) C4'-P energy: -26.485
bonds (distance) P-C4' energy: -29.185
flat angles C4'-P-C4' energy: -32.554
flat angles P-C4'-P energy: -18.757
tors. eta vs tors. theta energy: -12.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -167.646786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.646786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.646786 (E_RNA)
where:
Base-Base interactions energy: -62.359
where: short stacking energy: -58.775
Base-Backbone interact. energy: -0.304
local terms energy: -104.983997
where:
bonds (distance) C4'-P energy: -21.403
bonds (distance) P-C4' energy: -29.871
flat angles C4'-P-C4' energy: -20.609
flat angles P-C4'-P energy: -20.568
tors. eta vs tors. theta energy: -12.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -543.943989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.943989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.943989 (E_RNA)
where:
Base-Base interactions energy: -371.475
where: short stacking energy: -151.574
Base-Backbone interact. energy: -0.945
local terms energy: -171.523694
where:
bonds (distance) C4'-P energy: -30.916
bonds (distance) P-C4' energy: -37.148
flat angles C4'-P-C4' energy: -31.708
flat angles P-C4'-P energy: -28.765
tors. eta vs tors. theta energy: -42.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -516.841167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.841167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.841167 (E_RNA)
where:
Base-Base interactions energy: -360.502
where: short stacking energy: -143.163
Base-Backbone interact. energy: -0.647
local terms energy: -155.692279
where:
bonds (distance) C4'-P energy: -26.666
bonds (distance) P-C4' energy: -35.841
flat angles C4'-P-C4' energy: -34.069
flat angles P-C4'-P energy: -25.259
tors. eta vs tors. theta energy: -33.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -520.880292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.880292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.880292 (E_RNA)
where:
Base-Base interactions energy: -349.477
where: short stacking energy: -147.529
Base-Backbone interact. energy: -0.253
local terms energy: -171.150250
where:
bonds (distance) C4'-P energy: -28.974
bonds (distance) P-C4' energy: -37.084
flat angles C4'-P-C4' energy: -37.661
flat angles P-C4'-P energy: -25.597
tors. eta vs tors. theta energy: -41.835
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: 3
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -459.845516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.845516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.845516 (E_RNA)
where:
Base-Base interactions energy: -315.337
where: short stacking energy: -146.540
Base-Backbone interact. energy: -0.666
local terms energy: -143.841966
where:
bonds (distance) C4'-P energy: -26.687
bonds (distance) P-C4' energy: -31.830
flat angles C4'-P-C4' energy: -29.990
flat angles P-C4'-P energy: -20.054
tors. eta vs tors. theta energy: -35.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -365.637851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.637851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.637851 (E_RNA)
where:
Base-Base interactions energy: -219.861
where: short stacking energy: -129.812
Base-Backbone interact. energy: -0.063
local terms energy: -145.713515
where:
bonds (distance) C4'-P energy: -31.236
bonds (distance) P-C4' energy: -32.309
flat angles C4'-P-C4' energy: -30.188
flat angles P-C4'-P energy: -19.272
tors. eta vs tors. theta energy: -32.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -352.389832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.389832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.389832 (E_RNA)
where:
Base-Base interactions energy: -220.433
where: short stacking energy: -104.392
Base-Backbone interact. energy: 0.890
local terms energy: -132.846397
where:
bonds (distance) C4'-P energy: -31.422
bonds (distance) P-C4' energy: -30.788
flat angles C4'-P-C4' energy: -28.973
flat angles P-C4'-P energy: -13.573
tors. eta vs tors. theta energy: -28.091
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: 1
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -331.678587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.678587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.678587 (E_RNA)
where:
Base-Base interactions energy: -208.552
where: short stacking energy: -90.390
Base-Backbone interact. energy: -0.759
local terms energy: -122.367645
where:
bonds (distance) C4'-P energy: -25.346
bonds (distance) P-C4' energy: -34.083
flat angles C4'-P-C4' energy: -22.952
flat angles P-C4'-P energy: -15.369
tors. eta vs tors. theta energy: -24.618
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: 8, replica: 9
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -261.585095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.585095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.585095 (E_RNA)
where:
Base-Base interactions energy: -141.890
where: short stacking energy: -83.173
Base-Backbone interact. energy: -0.361
local terms energy: -119.333694
where:
bonds (distance) C4'-P energy: -27.269
bonds (distance) P-C4' energy: -33.663
flat angles C4'-P-C4' energy: -26.201
flat angles P-C4'-P energy: -20.045
tors. eta vs tors. theta energy: -12.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -226.798790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.798790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.798790 (E_RNA)
where:
Base-Base interactions energy: -131.727
where: short stacking energy: -74.892
Base-Backbone interact. energy: -0.051
local terms energy: -95.021411
where:
bonds (distance) C4'-P energy: -21.946
bonds (distance) P-C4' energy: -21.279
flat angles C4'-P-C4' energy: -31.146
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -9.930
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: 4
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -164.114294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.114294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.114294 (E_RNA)
where:
Base-Base interactions energy: -61.486
where: short stacking energy: -51.812
Base-Backbone interact. energy: -0.654
local terms energy: -101.975018
where:
bonds (distance) C4'-P energy: -31.915
bonds (distance) P-C4' energy: -31.133
flat angles C4'-P-C4' energy: -19.794
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -8.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -536.607949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.607949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.607949 (E_RNA)
where:
Base-Base interactions energy: -356.543
where: short stacking energy: -157.756
Base-Backbone interact. energy: -1.008
local terms energy: -179.056907
where:
bonds (distance) C4'-P energy: -31.055
bonds (distance) P-C4' energy: -35.721
flat angles C4'-P-C4' energy: -39.018
flat angles P-C4'-P energy: -27.412
tors. eta vs tors. theta energy: -45.851
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: 6
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -535.084909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.084909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.084909 (E_RNA)
where:
Base-Base interactions energy: -363.429
where: short stacking energy: -172.563
Base-Backbone interact. energy: -0.862
local terms energy: -170.793601
where:
bonds (distance) C4'-P energy: -29.131
bonds (distance) P-C4' energy: -34.623
flat angles C4'-P-C4' energy: -34.655
flat angles P-C4'-P energy: -24.589
tors. eta vs tors. theta energy: -47.797
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: 10
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -495.920166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.920166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.920166 (E_RNA)
where:
Base-Base interactions energy: -344.758
where: short stacking energy: -143.104
Base-Backbone interact. energy: -0.004
local terms energy: -151.158333
where:
bonds (distance) C4'-P energy: -34.945
bonds (distance) P-C4' energy: -24.985
flat angles C4'-P-C4' energy: -31.824
flat angles P-C4'-P energy: -22.867
tors. eta vs tors. theta energy: -36.538
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: 3
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -447.874756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.874756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.874756 (E_RNA)
where:
Base-Base interactions energy: -293.320
where: short stacking energy: -139.918
Base-Backbone interact. energy: 0.295
local terms energy: -154.849360
where:
bonds (distance) C4'-P energy: -28.188
bonds (distance) P-C4' energy: -31.822
flat angles C4'-P-C4' energy: -34.454
flat angles P-C4'-P energy: -24.357
tors. eta vs tors. theta energy: -36.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -360.690478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.690478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.690478 (E_RNA)
where:
Base-Base interactions energy: -221.169
where: short stacking energy: -120.406
Base-Backbone interact. energy: -0.712
local terms energy: -138.809551
where:
bonds (distance) C4'-P energy: -24.186
bonds (distance) P-C4' energy: -33.146
flat angles C4'-P-C4' energy: -35.092
flat angles P-C4'-P energy: -19.331
tors. eta vs tors. theta energy: -27.055
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: 1
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -342.597150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.597150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.597150 (E_RNA)
where:
Base-Base interactions energy: -213.576
where: short stacking energy: -102.522
Base-Backbone interact. energy: -0.481
local terms energy: -128.540239
where:
bonds (distance) C4'-P energy: -26.357
bonds (distance) P-C4' energy: -31.655
flat angles C4'-P-C4' energy: -32.155
flat angles P-C4'-P energy: -16.393
tors. eta vs tors. theta energy: -21.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -339.249099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.249099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.249099 (E_RNA)
where:
Base-Base interactions energy: -216.356
where: short stacking energy: -102.187
Base-Backbone interact. energy: -0.847
local terms energy: -122.045970
where:
bonds (distance) C4'-P energy: -25.780
bonds (distance) P-C4' energy: -32.426
flat angles C4'-P-C4' energy: -31.814
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: -20.470
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: 8, replica: 9
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -231.025143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.025143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.025143 (E_RNA)
where:
Base-Base interactions energy: -109.730
where: short stacking energy: -62.425
Base-Backbone interact. energy: -0.023
local terms energy: -121.272164
where:
bonds (distance) C4'-P energy: -24.910
bonds (distance) P-C4' energy: -36.298
flat angles C4'-P-C4' energy: -36.166
flat angles P-C4'-P energy: -17.230
tors. eta vs tors. theta energy: -6.669
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: 5
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -232.980317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.980317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.980317 (E_RNA)
where:
Base-Base interactions energy: -140.200
where: short stacking energy: -75.353
Base-Backbone interact. energy: -0.552
local terms energy: -92.228817
where:
bonds (distance) C4'-P energy: -25.254
bonds (distance) P-C4' energy: -22.071
flat angles C4'-P-C4' energy: -22.606
flat angles P-C4'-P energy: -12.994
tors. eta vs tors. theta energy: -9.303
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: 4
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -154.393466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.393466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.393466 (E_RNA)
where:
Base-Base interactions energy: -59.437
where: short stacking energy: -57.022
Base-Backbone interact. energy: -0.762
local terms energy: -94.195241
where:
bonds (distance) C4'-P energy: -21.272
bonds (distance) P-C4' energy: -29.310
flat angles C4'-P-C4' energy: -30.177
flat angles P-C4'-P energy: -16.710
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: 6
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -561.543937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.543937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.543937 (E_RNA)
where:
Base-Base interactions energy: -385.568
where: short stacking energy: -180.770
Base-Backbone interact. energy: -0.641
local terms energy: -175.335002
where:
bonds (distance) C4'-P energy: -32.483
bonds (distance) P-C4' energy: -32.716
flat angles C4'-P-C4' energy: -31.687
flat angles P-C4'-P energy: -27.718
tors. eta vs tors. theta energy: -50.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -528.688851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.688851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.688851 (E_RNA)
where:
Base-Base interactions energy: -370.143
where: short stacking energy: -156.928
Base-Backbone interact. energy: -0.909
local terms energy: -157.636644
where:
bonds (distance) C4'-P energy: -30.409
bonds (distance) P-C4' energy: -30.711
flat angles C4'-P-C4' energy: -33.991
flat angles P-C4'-P energy: -21.245
tors. eta vs tors. theta energy: -41.281
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: 356
Temperature: 1.000000
Total energy: -494.796542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.796542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.796542 (E_RNA)
where:
Base-Base interactions energy: -339.796
where: short stacking energy: -141.171
Base-Backbone interact. energy: -1.288
local terms energy: -153.711624
where:
bonds (distance) C4'-P energy: -24.812
bonds (distance) P-C4' energy: -30.325
flat angles C4'-P-C4' energy: -35.678
flat angles P-C4'-P energy: -21.961
tors. eta vs tors. theta energy: -40.936
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: 3
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -435.512817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.512817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.512817 (E_RNA)
where:
Base-Base interactions energy: -282.409
where: short stacking energy: -136.853
Base-Backbone interact. energy: -0.646
local terms energy: -152.457737
where:
bonds (distance) C4'-P energy: -31.809
bonds (distance) P-C4' energy: -29.217
flat angles C4'-P-C4' energy: -31.914
flat angles P-C4'-P energy: -22.198
tors. eta vs tors. theta energy: -37.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -370.308400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.308400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.308400 (E_RNA)
where:
Base-Base interactions energy: -230.883
where: short stacking energy: -127.613
Base-Backbone interact. energy: -0.420
local terms energy: -139.006220
where:
bonds (distance) C4'-P energy: -26.495
bonds (distance) P-C4' energy: -22.326
flat angles C4'-P-C4' energy: -38.007
flat angles P-C4'-P energy: -18.618
tors. eta vs tors. theta energy: -33.559
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: 356
Temperature: 1.150000
Total energy: -364.494750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.494750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.494750 (E_RNA)
where:
Base-Base interactions energy: -236.978
where: short stacking energy: -107.466
Base-Backbone interact. energy: 0.230
local terms energy: -127.746549
where:
bonds (distance) C4'-P energy: -31.917
bonds (distance) P-C4' energy: -24.211
flat angles C4'-P-C4' energy: -20.655
flat angles P-C4'-P energy: -21.556
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: 7, replica: 7
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -315.405372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.405372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.405372 (E_RNA)
where:
Base-Base interactions energy: -204.512
where: short stacking energy: -93.768
Base-Backbone interact. energy: -1.130
local terms energy: -109.763312
where:
bonds (distance) C4'-P energy: -23.725
bonds (distance) P-C4' energy: -31.097
flat angles C4'-P-C4' energy: -19.752
flat angles P-C4'-P energy: -14.667
tors. eta vs tors. theta energy: -20.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -212.264524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.264524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.264524 (E_RNA)
where:
Base-Base interactions energy: -99.894
where: short stacking energy: -65.788
Base-Backbone interact. energy: 0.642
local terms energy: -113.012470
where:
bonds (distance) C4'-P energy: -28.752
bonds (distance) P-C4' energy: -28.322
flat angles C4'-P-C4' energy: -32.207
flat angles P-C4'-P energy: -17.102
tors. eta vs tors. theta energy: -6.629
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: 5
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -228.236424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.236424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.236424 (E_RNA)
where:
Base-Base interactions energy: -124.347
where: short stacking energy: -72.449
Base-Backbone interact. energy: -0.013
local terms energy: -103.875704
where:
bonds (distance) C4'-P energy: -27.615
bonds (distance) P-C4' energy: -23.794
flat angles C4'-P-C4' energy: -23.262
flat angles P-C4'-P energy: -15.897
tors. eta vs tors. theta energy: -13.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -147.250988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.250988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.250988 (E_RNA)
where:
Base-Base interactions energy: -54.985
where: short stacking energy: -50.110
Base-Backbone interact. energy: -1.113
local terms energy: -91.153484
where:
bonds (distance) C4'-P energy: -25.773
bonds (distance) P-C4' energy: -32.995
flat angles C4'-P-C4' energy: -23.231
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: 0.758
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: 6
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -550.337527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.337527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.337527 (E_RNA)
where:
Base-Base interactions energy: -377.603
where: short stacking energy: -164.156
Base-Backbone interact. energy: -0.035
local terms energy: -172.699598
where:
bonds (distance) C4'-P energy: -31.245
bonds (distance) P-C4' energy: -33.628
flat angles C4'-P-C4' energy: -37.440
flat angles P-C4'-P energy: -22.687
tors. eta vs tors. theta energy: -47.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -518.755969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.755969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.755969 (E_RNA)
where:
Base-Base interactions energy: -348.798
where: short stacking energy: -148.119
Base-Backbone interact. energy: -0.816
local terms energy: -169.142230
where:
bonds (distance) C4'-P energy: -28.542
bonds (distance) P-C4' energy: -35.019
flat angles C4'-P-C4' energy: -36.070
flat angles P-C4'-P energy: -25.649
tors. eta vs tors. theta energy: -43.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -509.955107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.955107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.955107 (E_RNA)
where:
Base-Base interactions energy: -351.903
where: short stacking energy: -162.901
Base-Backbone interact. energy: -1.638
local terms energy: -156.413844
where:
bonds (distance) C4'-P energy: -28.799
bonds (distance) P-C4' energy: -29.338
flat angles C4'-P-C4' energy: -31.438
flat angles P-C4'-P energy: -17.299
tors. eta vs tors. theta energy: -49.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -433.981774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.981774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.981774 (E_RNA)
where:
Base-Base interactions energy: -288.516
where: short stacking energy: -133.341
Base-Backbone interact. energy: 0.192
local terms energy: -145.657367
where:
bonds (distance) C4'-P energy: -27.689
bonds (distance) P-C4' energy: -22.579
flat angles C4'-P-C4' energy: -30.348
flat angles P-C4'-P energy: -25.669
tors. eta vs tors. theta energy: -39.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -378.692405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.692405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.692405 (E_RNA)
where:
Base-Base interactions energy: -237.689
where: short stacking energy: -121.100
Base-Backbone interact. energy: -1.363
local terms energy: -139.639655
where:
bonds (distance) C4'-P energy: -27.040
bonds (distance) P-C4' energy: -27.049
flat angles C4'-P-C4' energy: -35.594
flat angles P-C4'-P energy: -19.135
tors. eta vs tors. theta energy: -30.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -353.834031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.834031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.834031 (E_RNA)
where:
Base-Base interactions energy: -219.869
where: short stacking energy: -126.370
Base-Backbone interact. energy: 0.308
local terms energy: -134.272702
where:
bonds (distance) C4'-P energy: -25.768
bonds (distance) P-C4' energy: -23.512
flat angles C4'-P-C4' energy: -32.442
flat angles P-C4'-P energy: -21.967
tors. eta vs tors. theta energy: -30.583
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: 357
Temperature: 1.200000
Total energy: -340.800667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.800667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.800667 (E_RNA)
where:
Base-Base interactions energy: -218.654
where: short stacking energy: -101.676
Base-Backbone interact. energy: 2.744
local terms energy: -124.890068
where:
bonds (distance) C4'-P energy: -24.653
bonds (distance) P-C4' energy: -29.617
flat angles C4'-P-C4' energy: -29.019
flat angles P-C4'-P energy: -18.387
tors. eta vs tors. theta energy: -23.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -226.379547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.379547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.379547 (E_RNA)
where:
Base-Base interactions energy: -119.074
where: short stacking energy: -65.944
Base-Backbone interact. energy: -0.448
local terms energy: -106.857084
where:
bonds (distance) C4'-P energy: -34.342
bonds (distance) P-C4' energy: -28.395
flat angles C4'-P-C4' energy: -21.139
flat angles P-C4'-P energy: -18.612
tors. eta vs tors. theta energy: -4.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -149.849039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.849039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.849039 (E_RNA)
where:
Base-Base interactions energy: -54.149
where: short stacking energy: -44.421
Base-Backbone interact. energy: 0.231
local terms energy: -95.930689
where:
bonds (distance) C4'-P energy: -23.375
bonds (distance) P-C4' energy: -32.157
flat angles C4'-P-C4' energy: -21.287
flat angles P-C4'-P energy: -17.782
tors. eta vs tors. theta energy: -1.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -154.572781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.572781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.572781 (E_RNA)
where:
Base-Base interactions energy: -66.454
where: short stacking energy: -38.992
Base-Backbone interact. energy: 0.042
local terms energy: -88.160414
where:
bonds (distance) C4'-P energy: -17.976
bonds (distance) P-C4' energy: -37.755
flat angles C4'-P-C4' energy: -28.344
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: 7.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -545.857754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.857754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.857754 (E_RNA)
where:
Base-Base interactions energy: -373.626
where: short stacking energy: -164.144
Base-Backbone interact. energy: -1.630
local terms energy: -170.601957
where:
bonds (distance) C4'-P energy: -30.929
bonds (distance) P-C4' energy: -28.448
flat angles C4'-P-C4' energy: -38.756
flat angles P-C4'-P energy: -26.247
tors. eta vs tors. theta energy: -46.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -529.042854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.042854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.042854 (E_RNA)
where:
Base-Base interactions energy: -366.533
where: short stacking energy: -155.261
Base-Backbone interact. energy: -0.532
local terms energy: -161.977673
where:
bonds (distance) C4'-P energy: -31.633
bonds (distance) P-C4' energy: -30.309
flat angles C4'-P-C4' energy: -40.110
flat angles P-C4'-P energy: -19.251
tors. eta vs tors. theta energy: -40.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -518.982057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.982057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.982057 (E_RNA)
where:
Base-Base interactions energy: -343.510
where: short stacking energy: -154.196
Base-Backbone interact. energy: -1.314
local terms energy: -174.157488
where:
bonds (distance) C4'-P energy: -35.686
bonds (distance) P-C4' energy: -36.554
flat angles C4'-P-C4' energy: -37.199
flat angles P-C4'-P energy: -20.193
tors. eta vs tors. theta energy: -44.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -441.168402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.168402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.168402 (E_RNA)
where:
Base-Base interactions energy: -285.805
where: short stacking energy: -136.124
Base-Backbone interact. energy: -0.327
local terms energy: -155.036247
where:
bonds (distance) C4'-P energy: -34.035
bonds (distance) P-C4' energy: -29.921
flat angles C4'-P-C4' energy: -36.846
flat angles P-C4'-P energy: -21.069
tors. eta vs tors. theta energy: -33.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -377.132652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.132652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.132652 (E_RNA)
where:
Base-Base interactions energy: -236.178
where: short stacking energy: -141.546
Base-Backbone interact. energy: -0.310
local terms energy: -140.644064
where:
bonds (distance) C4'-P energy: -25.996
bonds (distance) P-C4' energy: -23.026
flat angles C4'-P-C4' energy: -33.225
flat angles P-C4'-P energy: -19.255
tors. eta vs tors. theta energy: -39.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -357.722483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.722483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.722483 (E_RNA)
where:
Base-Base interactions energy: -220.236
where: short stacking energy: -120.683
Base-Backbone interact. energy: -0.473
local terms energy: -137.013173
where:
bonds (distance) C4'-P energy: -26.073
bonds (distance) P-C4' energy: -32.724
flat angles C4'-P-C4' energy: -29.886
flat angles P-C4'-P energy: -21.823
tors. eta vs tors. theta energy: -26.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -351.706335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.706335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.706335 (E_RNA)
where:
Base-Base interactions energy: -229.333
where: short stacking energy: -103.684
Base-Backbone interact. energy: -0.334
local terms energy: -122.039537
where:
bonds (distance) C4'-P energy: -29.062
bonds (distance) P-C4' energy: -27.456
flat angles C4'-P-C4' energy: -34.739
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -19.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -234.427682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.427682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.427682 (E_RNA)
where:
Base-Base interactions energy: -127.203
where: short stacking energy: -78.557
Base-Backbone interact. energy: -0.127
local terms energy: -107.097837
where:
bonds (distance) C4'-P energy: -34.827
bonds (distance) P-C4' energy: -31.099
flat angles C4'-P-C4' energy: -22.056
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -8.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -171.858374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.858374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.858374 (E_RNA)
where:
Base-Base interactions energy: -73.900
where: short stacking energy: -49.670
Base-Backbone interact. energy: -0.574
local terms energy: -97.384080
where:
bonds (distance) C4'-P energy: -22.536
bonds (distance) P-C4' energy: -32.426
flat angles C4'-P-C4' energy: -28.535
flat angles P-C4'-P energy: -15.369
tors. eta vs tors. theta energy: 1.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -162.202743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.202743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.202743 (E_RNA)
where:
Base-Base interactions energy: -81.781
where: short stacking energy: -54.271
Base-Backbone interact. energy: -0.334
local terms energy: -80.088081
where:
bonds (distance) C4'-P energy: -22.558
bonds (distance) P-C4' energy: -23.977
flat angles C4'-P-C4' energy: -18.262
flat angles P-C4'-P energy: -7.389
tors. eta vs tors. theta energy: -7.902
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: 6
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -556.861908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.861908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.861908 (E_RNA)
where:
Base-Base interactions energy: -379.573
where: short stacking energy: -164.547
Base-Backbone interact. energy: -0.511
local terms energy: -176.778285
where:
bonds (distance) C4'-P energy: -31.544
bonds (distance) P-C4' energy: -32.069
flat angles C4'-P-C4' energy: -36.581
flat angles P-C4'-P energy: -29.816
tors. eta vs tors. theta energy: -46.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -514.449401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.449401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.449401 (E_RNA)
where:
Base-Base interactions energy: -352.683
where: short stacking energy: -147.988
Base-Backbone interact. energy: -1.585
local terms energy: -160.180883
where:
bonds (distance) C4'-P energy: -34.056
bonds (distance) P-C4' energy: -33.596
flat angles C4'-P-C4' energy: -31.440
flat angles P-C4'-P energy: -21.053
tors. eta vs tors. theta energy: -40.036
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: 10
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -507.981410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.981410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.981410 (E_RNA)
where:
Base-Base interactions energy: -353.797
where: short stacking energy: -151.079
Base-Backbone interact. energy: -2.066
local terms energy: -152.118823
where:
bonds (distance) C4'-P energy: -36.518
bonds (distance) P-C4' energy: -28.447
flat angles C4'-P-C4' energy: -30.713
flat angles P-C4'-P energy: -18.286
tors. eta vs tors. theta energy: -38.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -436.654356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.654356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.654356 (E_RNA)
where:
Base-Base interactions energy: -284.459
where: short stacking energy: -131.050
Base-Backbone interact. energy: -0.504
local terms energy: -151.691144
where:
bonds (distance) C4'-P energy: -28.533
bonds (distance) P-C4' energy: -33.291
flat angles C4'-P-C4' energy: -36.184
flat angles P-C4'-P energy: -23.488
tors. eta vs tors. theta energy: -30.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -368.010554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.010554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.010554 (E_RNA)
where:
Base-Base interactions energy: -230.658
where: short stacking energy: -125.592
Base-Backbone interact. energy: 1.215
local terms energy: -138.567587
where:
bonds (distance) C4'-P energy: -31.038
bonds (distance) P-C4' energy: -34.341
flat angles C4'-P-C4' energy: -27.382
flat angles P-C4'-P energy: -20.618
tors. eta vs tors. theta energy: -25.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -358.374460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.374460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.374460 (E_RNA)
where:
Base-Base interactions energy: -229.664
where: short stacking energy: -141.325
Base-Backbone interact. energy: -1.375
local terms energy: -127.336303
where:
bonds (distance) C4'-P energy: -21.492
bonds (distance) P-C4' energy: -26.790
flat angles C4'-P-C4' energy: -29.707
flat angles P-C4'-P energy: -15.113
tors. eta vs tors. theta energy: -34.234
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: 1
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -322.662761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.662761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.662761 (E_RNA)
where:
Base-Base interactions energy: -200.870
where: short stacking energy: -89.960
Base-Backbone interact. energy: -0.556
local terms energy: -121.236905
where:
bonds (distance) C4'-P energy: -30.594
bonds (distance) P-C4' energy: -26.685
flat angles C4'-P-C4' energy: -30.774
flat angles P-C4'-P energy: -16.727
tors. eta vs tors. theta energy: -16.457
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: 8, replica: 5
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -254.560987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.560987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.560987 (E_RNA)
where:
Base-Base interactions energy: -146.185
where: short stacking energy: -76.666
Base-Backbone interact. energy: -0.608
local terms energy: -107.767974
where:
bonds (distance) C4'-P energy: -27.988
bonds (distance) P-C4' energy: -25.398
flat angles C4'-P-C4' energy: -27.833
flat angles P-C4'-P energy: -16.039
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: 9, replica: 4
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -158.859235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.859235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.859235 (E_RNA)
where:
Base-Base interactions energy: -60.411
where: short stacking energy: -53.983
Base-Backbone interact. energy: -0.647
local terms energy: -97.801283
where:
bonds (distance) C4'-P energy: -25.168
bonds (distance) P-C4' energy: -25.971
flat angles C4'-P-C4' energy: -27.156
flat angles P-C4'-P energy: -17.407
tors. eta vs tors. theta energy: -2.100
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: 9
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -148.183840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.183840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.183840 (E_RNA)
where:
Base-Base interactions energy: -53.103
where: short stacking energy: -48.653
Base-Backbone interact. energy: 0.823
local terms energy: -95.903594
where:
bonds (distance) C4'-P energy: -19.694
bonds (distance) P-C4' energy: -30.974
flat angles C4'-P-C4' energy: -26.921
flat angles P-C4'-P energy: -17.880
tors. eta vs tors. theta energy: -0.434
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: 6
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -549.950361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.950361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.950361 (E_RNA)
where:
Base-Base interactions energy: -366.232
where: short stacking energy: -165.328
Base-Backbone interact. energy: -0.129
local terms energy: -183.589654
where:
bonds (distance) C4'-P energy: -33.026
bonds (distance) P-C4' energy: -33.929
flat angles C4'-P-C4' energy: -40.685
flat angles P-C4'-P energy: -28.203
tors. eta vs tors. theta energy: -47.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -529.448200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.448200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.448200 (E_RNA)
where:
Base-Base interactions energy: -365.207
where: short stacking energy: -161.512
Base-Backbone interact. energy: -0.423
local terms energy: -163.818022
where:
bonds (distance) C4'-P energy: -31.096
bonds (distance) P-C4' energy: -28.940
flat angles C4'-P-C4' energy: -38.209
flat angles P-C4'-P energy: -19.444
tors. eta vs tors. theta energy: -46.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -488.072605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.072605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.072605 (E_RNA)
where:
Base-Base interactions energy: -330.584
where: short stacking energy: -145.311
Base-Backbone interact. energy: -1.166
local terms energy: -156.322010
where:
bonds (distance) C4'-P energy: -38.452
bonds (distance) P-C4' energy: -25.374
flat angles C4'-P-C4' energy: -32.657
flat angles P-C4'-P energy: -20.992
tors. eta vs tors. theta energy: -38.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -472.464668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.464668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.464668 (E_RNA)
where:
Base-Base interactions energy: -312.621
where: short stacking energy: -147.446
Base-Backbone interact. energy: -0.835
local terms energy: -159.007704
where:
bonds (distance) C4'-P energy: -33.059
bonds (distance) P-C4' energy: -35.850
flat angles C4'-P-C4' energy: -29.766
flat angles P-C4'-P energy: -25.577
tors. eta vs tors. theta energy: -34.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -385.971650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.971650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.971650 (E_RNA)
where:
Base-Base interactions energy: -243.694
where: short stacking energy: -111.146
Base-Backbone interact. energy: -2.090
local terms energy: -140.186865
where:
bonds (distance) C4'-P energy: -29.170
bonds (distance) P-C4' energy: -26.365
flat angles C4'-P-C4' energy: -35.692
flat angles P-C4'-P energy: -22.252
tors. eta vs tors. theta energy: -26.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -384.430986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.430986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.430986 (E_RNA)
where:
Base-Base interactions energy: -251.468
where: short stacking energy: -118.949
Base-Backbone interact. energy: -0.728
local terms energy: -132.234792
where:
bonds (distance) C4'-P energy: -23.020
bonds (distance) P-C4' energy: -32.538
flat angles C4'-P-C4' energy: -32.441
flat angles P-C4'-P energy: -16.977
tors. eta vs tors. theta energy: -27.259
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: 1
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -313.717414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.717414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.717414 (E_RNA)
where:
Base-Base interactions energy: -191.317
where: short stacking energy: -93.102
Base-Backbone interact. energy: -0.483
local terms energy: -121.916475
where:
bonds (distance) C4'-P energy: -27.734
bonds (distance) P-C4' energy: -31.073
flat angles C4'-P-C4' energy: -25.878
flat angles P-C4'-P energy: -20.675
tors. eta vs tors. theta energy: -16.558
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: 5
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -225.955879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.955879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.955879 (E_RNA)
where:
Base-Base interactions energy: -126.893
where: short stacking energy: -64.167
Base-Backbone interact. energy: -0.207
local terms energy: -98.855452
where:
bonds (distance) C4'-P energy: -24.396
bonds (distance) P-C4' energy: -33.448
flat angles C4'-P-C4' energy: -26.916
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -6.225
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: 9, replica: 9
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -170.567077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.567077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.567077 (E_RNA)
where:
Base-Base interactions energy: -77.487
where: short stacking energy: -66.887
Base-Backbone interact. energy: 0.646
local terms energy: -93.726137
where:
bonds (distance) C4'-P energy: -23.991
bonds (distance) P-C4' energy: -23.449
flat angles C4'-P-C4' energy: -20.894
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -16.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -154.672625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.672625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.672625 (E_RNA)
where:
Base-Base interactions energy: -60.120
where: short stacking energy: -45.902
Base-Backbone interact. energy: -0.361
local terms energy: -94.191901
where:
bonds (distance) C4'-P energy: -24.758
bonds (distance) P-C4' energy: -28.002
flat angles C4'-P-C4' energy: -29.398
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: 0.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -551.205977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.205977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.205977 (E_RNA)
where:
Base-Base interactions energy: -371.753
where: short stacking energy: -167.647
Base-Backbone interact. energy: -0.703
local terms energy: -178.750419
where:
bonds (distance) C4'-P energy: -35.439
bonds (distance) P-C4' energy: -32.383
flat angles C4'-P-C4' energy: -32.260
flat angles P-C4'-P energy: -26.372
tors. eta vs tors. theta energy: -52.296
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: 2
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -529.521045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.521045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.521045 (E_RNA)
where:
Base-Base interactions energy: -366.162
where: short stacking energy: -154.716
Base-Backbone interact. energy: -1.729
local terms energy: -161.629748
where:
bonds (distance) C4'-P energy: -24.893
bonds (distance) P-C4' energy: -31.756
flat angles C4'-P-C4' energy: -34.373
flat angles P-C4'-P energy: -24.475
tors. eta vs tors. theta energy: -46.133
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: 10
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -492.941758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.941758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.941758 (E_RNA)
where:
Base-Base interactions energy: -344.422
where: short stacking energy: -154.016
Base-Backbone interact. energy: 0.735
local terms energy: -149.254445
where:
bonds (distance) C4'-P energy: -29.724
bonds (distance) P-C4' energy: -28.974
flat angles C4'-P-C4' energy: -34.147
flat angles P-C4'-P energy: -16.621
tors. eta vs tors. theta energy: -39.788
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: 361
Temperature: 1.050000
Total energy: -451.591739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.591739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.591739 (E_RNA)
where:
Base-Base interactions energy: -300.952
where: short stacking energy: -140.435
Base-Backbone interact. energy: -0.405
local terms energy: -150.234528
where:
bonds (distance) C4'-P energy: -28.646
bonds (distance) P-C4' energy: -32.760
flat angles C4'-P-C4' energy: -29.975
flat angles P-C4'-P energy: -19.898
tors. eta vs tors. theta energy: -38.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -377.967077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.967077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.967077 (E_RNA)
where:
Base-Base interactions energy: -228.551
where: short stacking energy: -107.742
Base-Backbone interact. energy: -1.478
local terms energy: -147.938511
where:
bonds (distance) C4'-P energy: -31.872
bonds (distance) P-C4' energy: -30.440
flat angles C4'-P-C4' energy: -32.580
flat angles P-C4'-P energy: -24.169
tors. eta vs tors. theta energy: -28.877
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: 6, replica: 8
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -385.909761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.909761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.909761 (E_RNA)
where:
Base-Base interactions energy: -258.818
where: short stacking energy: -123.486
Base-Backbone interact. energy: 0.522
local terms energy: -127.613472
where:
bonds (distance) C4'-P energy: -27.616
bonds (distance) P-C4' energy: -25.830
flat angles C4'-P-C4' energy: -33.859
flat angles P-C4'-P energy: -15.442
tors. eta vs tors. theta energy: -24.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -309.448340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.448340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.448340 (E_RNA)
where:
Base-Base interactions energy: -183.300
where: short stacking energy: -89.518
Base-Backbone interact. energy: -0.490
local terms energy: -125.658317
where:
bonds (distance) C4'-P energy: -33.914
bonds (distance) P-C4' energy: -31.628
flat angles C4'-P-C4' energy: -28.093
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -19.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -166.941730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.941730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.941730 (E_RNA)
where:
Base-Base interactions energy: -63.930
where: short stacking energy: -56.238
Base-Backbone interact. energy: -0.032
local terms energy: -102.979695
where:
bonds (distance) C4'-P energy: -26.480
bonds (distance) P-C4' energy: -33.239
flat angles C4'-P-C4' energy: -21.176
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -9.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -220.230965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.230965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.230965 (E_RNA)
where:
Base-Base interactions energy: -107.024
where: short stacking energy: -67.422
Base-Backbone interact. energy: -0.419
local terms energy: -112.787506
where:
bonds (distance) C4'-P energy: -25.277
bonds (distance) P-C4' energy: -35.626
flat angles C4'-P-C4' energy: -21.400
flat angles P-C4'-P energy: -19.003
tors. eta vs tors. theta energy: -11.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -159.886869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.886869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.886869 (E_RNA)
where:
Base-Base interactions energy: -64.079
where: short stacking energy: -39.077
Base-Backbone interact. energy: -1.940
local terms energy: -93.868468
where:
bonds (distance) C4'-P energy: -25.043
bonds (distance) P-C4' energy: -24.877
flat angles C4'-P-C4' energy: -26.470
flat angles P-C4'-P energy: -16.249
tors. eta vs tors. theta energy: -1.230
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: 6
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -542.202206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.202206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.202206 (E_RNA)
where:
Base-Base interactions energy: -370.931
where: short stacking energy: -173.790
Base-Backbone interact. energy: -0.077
local terms energy: -171.193790
where:
bonds (distance) C4'-P energy: -26.214
bonds (distance) P-C4' energy: -34.166
flat angles C4'-P-C4' energy: -37.794
flat angles P-C4'-P energy: -23.692
tors. eta vs tors. theta energy: -49.328
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: 2
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -521.265028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.265028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.265028 (E_RNA)
where:
Base-Base interactions energy: -348.523
where: short stacking energy: -166.614
Base-Backbone interact. energy: -0.398
local terms energy: -172.343731
where:
bonds (distance) C4'-P energy: -29.743
bonds (distance) P-C4' energy: -27.962
flat angles C4'-P-C4' energy: -37.292
flat angles P-C4'-P energy: -25.932
tors. eta vs tors. theta energy: -51.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -504.259779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.259779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.259779 (E_RNA)
where:
Base-Base interactions energy: -337.051
where: short stacking energy: -156.036
Base-Backbone interact. energy: -0.662
local terms energy: -166.546492
where:
bonds (distance) C4'-P energy: -33.038
bonds (distance) P-C4' energy: -32.869
flat angles C4'-P-C4' energy: -37.024
flat angles P-C4'-P energy: -24.200
tors. eta vs tors. theta energy: -39.416
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: 362
Temperature: 1.050000
Total energy: -470.229360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.229360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.229360 (E_RNA)
where:
Base-Base interactions energy: -323.208
where: short stacking energy: -132.781
Base-Backbone interact. energy: -0.262
local terms energy: -146.759401
where:
bonds (distance) C4'-P energy: -25.711
bonds (distance) P-C4' energy: -33.184
flat angles C4'-P-C4' energy: -36.301
flat angles P-C4'-P energy: -17.419
tors. eta vs tors. theta energy: -34.145
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: 5, replica: 8
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -409.460842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.460842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.460842 (E_RNA)
where:
Base-Base interactions energy: -266.404
where: short stacking energy: -120.286
Base-Backbone interact. energy: -1.324
local terms energy: -141.732923
where:
bonds (distance) C4'-P energy: -27.085
bonds (distance) P-C4' energy: -25.624
flat angles C4'-P-C4' energy: -26.920
flat angles P-C4'-P energy: -27.729
tors. eta vs tors. theta energy: -34.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -340.399010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.399010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.399010 (E_RNA)
where:
Base-Base interactions energy: -211.476
where: short stacking energy: -105.020
Base-Backbone interact. energy: -2.596
local terms energy: -126.326758
where:
bonds (distance) C4'-P energy: -30.778
bonds (distance) P-C4' energy: -31.437
flat angles C4'-P-C4' energy: -22.734
flat angles P-C4'-P energy: -14.989
tors. eta vs tors. theta energy: -26.390
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: 1
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -305.184984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.184984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.184984 (E_RNA)
where:
Base-Base interactions energy: -188.139
where: short stacking energy: -91.692
Base-Backbone interact. energy: -0.065
local terms energy: -116.981270
where:
bonds (distance) C4'-P energy: -18.146
bonds (distance) P-C4' energy: -30.452
flat angles C4'-P-C4' energy: -27.678
flat angles P-C4'-P energy: -21.824
tors. eta vs tors. theta energy: -18.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -199.881279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.881279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.881279 (E_RNA)
where:
Base-Base interactions energy: -76.172
where: short stacking energy: -73.923
Base-Backbone interact. energy: -0.526
local terms energy: -123.183300
where:
bonds (distance) C4'-P energy: -25.841
bonds (distance) P-C4' energy: -27.480
flat angles C4'-P-C4' energy: -33.351
flat angles P-C4'-P energy: -16.964
tors. eta vs tors. theta energy: -19.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -172.955464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.955464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.955464 (E_RNA)
where:
Base-Base interactions energy: -80.447
where: short stacking energy: -62.317
Base-Backbone interact. energy: -0.838
local terms energy: -91.670219
where:
bonds (distance) C4'-P energy: -20.166
bonds (distance) P-C4' energy: -34.543
flat angles C4'-P-C4' energy: -21.171
flat angles P-C4'-P energy: -17.239
tors. eta vs tors. theta energy: 1.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -146.139927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.139927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.139927 (E_RNA)
where:
Base-Base interactions energy: -62.535
where: short stacking energy: -47.073
Base-Backbone interact. energy: -1.263
local terms energy: -82.341407
where:
bonds (distance) C4'-P energy: -19.816
bonds (distance) P-C4' energy: -24.014
flat angles C4'-P-C4' energy: -23.762
flat angles P-C4'-P energy: -22.806
tors. eta vs tors. theta energy: 8.057
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: 1, replica: 6
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -537.257831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.257831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.257831 (E_RNA)
where:
Base-Base interactions energy: -366.800
where: short stacking energy: -158.020
Base-Backbone interact. energy: 0.170
local terms energy: -170.628254
where:
bonds (distance) C4'-P energy: -30.361
bonds (distance) P-C4' energy: -33.383
flat angles C4'-P-C4' energy: -33.553
flat angles P-C4'-P energy: -23.064
tors. eta vs tors. theta energy: -50.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -535.526133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.526133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.526133 (E_RNA)
where:
Base-Base interactions energy: -359.562
where: short stacking energy: -168.912
Base-Backbone interact. energy: -0.025
local terms energy: -175.939260
where:
bonds (distance) C4'-P energy: -32.751
bonds (distance) P-C4' energy: -33.451
flat angles C4'-P-C4' energy: -33.779
flat angles P-C4'-P energy: -22.949
tors. eta vs tors. theta energy: -53.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -500.386161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.386161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.386161 (E_RNA)
where:
Base-Base interactions energy: -333.445
where: short stacking energy: -149.174
Base-Backbone interact. energy: -0.590
local terms energy: -166.350575
where:
bonds (distance) C4'-P energy: -34.647
bonds (distance) P-C4' energy: -35.678
flat angles C4'-P-C4' energy: -33.320
flat angles P-C4'-P energy: -19.841
tors. eta vs tors. theta energy: -42.865
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: 10
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -472.253066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.253066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.253066 (E_RNA)
where:
Base-Base interactions energy: -317.301
where: short stacking energy: -146.400
Base-Backbone interact. energy: -0.382
local terms energy: -154.569829
where:
bonds (distance) C4'-P energy: -23.122
bonds (distance) P-C4' energy: -32.384
flat angles C4'-P-C4' energy: -36.782
flat angles P-C4'-P energy: -23.167
tors. eta vs tors. theta energy: -39.114
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: 8
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -415.930517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.930517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.930517 (E_RNA)
where:
Base-Base interactions energy: -278.522
where: short stacking energy: -139.833
Base-Backbone interact. energy: -0.816
local terms energy: -136.592607
where:
bonds (distance) C4'-P energy: -24.058
bonds (distance) P-C4' energy: -27.485
flat angles C4'-P-C4' energy: -31.553
flat angles P-C4'-P energy: -20.514
tors. eta vs tors. theta energy: -32.983
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: 1
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -334.116731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.116731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.116731 (E_RNA)
where:
Base-Base interactions energy: -206.533
where: short stacking energy: -92.096
Base-Backbone interact. energy: -0.476
local terms energy: -127.108437
where:
bonds (distance) C4'-P energy: -27.565
bonds (distance) P-C4' energy: -27.211
flat angles C4'-P-C4' energy: -23.727
flat angles P-C4'-P energy: -24.294
tors. eta vs tors. theta energy: -24.311
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: 7
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -328.091165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.091165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.091165 (E_RNA)
where:
Base-Base interactions energy: -189.083
where: short stacking energy: -91.086
Base-Backbone interact. energy: 2.372
local terms energy: -141.380155
where:
bonds (distance) C4'-P energy: -32.713
bonds (distance) P-C4' energy: -31.470
flat angles C4'-P-C4' energy: -30.332
flat angles P-C4'-P energy: -19.934
tors. eta vs tors. theta energy: -26.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -183.034955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.034955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.034955 (E_RNA)
where:
Base-Base interactions energy: -79.305
where: short stacking energy: -70.292
Base-Backbone interact. energy: 1.434
local terms energy: -105.164723
where:
bonds (distance) C4'-P energy: -26.739
bonds (distance) P-C4' energy: -27.503
flat angles C4'-P-C4' energy: -23.870
flat angles P-C4'-P energy: -20.044
tors. eta vs tors. theta energy: -7.008
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: 9
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -162.826570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.826570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.826570 (E_RNA)
where:
Base-Base interactions energy: -62.417
where: short stacking energy: -47.569
Base-Backbone interact. energy: -1.090
local terms energy: -99.319218
where:
bonds (distance) C4'-P energy: -22.578
bonds (distance) P-C4' energy: -26.288
flat angles C4'-P-C4' energy: -31.491
flat angles P-C4'-P energy: -19.096
tors. eta vs tors. theta energy: 0.134
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: 10, replica: 5
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -138.854768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.854768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.854768 (E_RNA)
where:
Base-Base interactions energy: -42.963
where: short stacking energy: -24.137
Base-Backbone interact. energy: 1.142
local terms energy: -97.033976
where:
bonds (distance) C4'-P energy: -24.902
bonds (distance) P-C4' energy: -31.541
flat angles C4'-P-C4' energy: -33.027
flat angles P-C4'-P energy: -12.933
tors. eta vs tors. theta energy: 5.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -530.383460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.383460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.383460 (E_RNA)
where:
Base-Base interactions energy: -363.625
where: short stacking energy: -154.297
Base-Backbone interact. energy: -0.240
local terms energy: -166.518033
where:
bonds (distance) C4'-P energy: -31.667
bonds (distance) P-C4' energy: -31.763
flat angles C4'-P-C4' energy: -35.776
flat angles P-C4'-P energy: -25.038
tors. eta vs tors. theta energy: -42.274
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: 2
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -526.021077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.021077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.021077 (E_RNA)
where:
Base-Base interactions energy: -354.265
where: short stacking energy: -158.971
Base-Backbone interact. energy: 0.563
local terms energy: -172.318344
where:
bonds (distance) C4'-P energy: -33.976
bonds (distance) P-C4' energy: -33.398
flat angles C4'-P-C4' energy: -33.747
flat angles P-C4'-P energy: -22.654
tors. eta vs tors. theta energy: -48.542
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: 364
Temperature: 1.000000
Total energy: -499.907523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.907523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.907523 (E_RNA)
where:
Base-Base interactions energy: -353.744
where: short stacking energy: -151.139
Base-Backbone interact. energy: 4.492
local terms energy: -150.655774
where:
bonds (distance) C4'-P energy: -34.247
bonds (distance) P-C4' energy: -27.094
flat angles C4'-P-C4' energy: -24.186
flat angles P-C4'-P energy: -24.269
tors. eta vs tors. theta energy: -40.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -487.652525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.652525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.652525 (E_RNA)
where:
Base-Base interactions energy: -327.928
where: short stacking energy: -140.374
Base-Backbone interact. energy: -1.232
local terms energy: -158.491923
where:
bonds (distance) C4'-P energy: -34.071
bonds (distance) P-C4' energy: -32.217
flat angles C4'-P-C4' energy: -31.879
flat angles P-C4'-P energy: -24.351
tors. eta vs tors. theta energy: -35.974
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: 364
Temperature: 1.100000
Total energy: -436.536685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.536685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.536685 (E_RNA)
where:
Base-Base interactions energy: -293.482
where: short stacking energy: -137.337
Base-Backbone interact. energy: -0.674
local terms energy: -142.380831
where:
bonds (distance) C4'-P energy: -31.344
bonds (distance) P-C4' energy: -32.717
flat angles C4'-P-C4' energy: -28.156
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -38.856
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: 1
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -325.679854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.679854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.679854 (E_RNA)
where:
Base-Base interactions energy: -195.578
where: short stacking energy: -93.591
Base-Backbone interact. energy: -0.398
local terms energy: -129.704584
where:
bonds (distance) C4'-P energy: -24.540
bonds (distance) P-C4' energy: -35.077
flat angles C4'-P-C4' energy: -28.556
flat angles P-C4'-P energy: -24.427
tors. eta vs tors. theta energy: -17.105
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: 7
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -316.708567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.708567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.708567 (E_RNA)
where:
Base-Base interactions energy: -195.709
where: short stacking energy: -97.026
Base-Backbone interact. energy: -0.972
local terms energy: -120.028195
where:
bonds (distance) C4'-P energy: -24.631
bonds (distance) P-C4' energy: -27.401
flat angles C4'-P-C4' energy: -30.343
flat angles P-C4'-P energy: -18.104
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: 8, replica: 4
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -190.416908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.416908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.416908 (E_RNA)
where:
Base-Base interactions energy: -83.675
where: short stacking energy: -67.451
Base-Backbone interact. energy: -0.244
local terms energy: -106.497266
where:
bonds (distance) C4'-P energy: -25.775
bonds (distance) P-C4' energy: -32.500
flat angles C4'-P-C4' energy: -20.304
flat angles P-C4'-P energy: -14.314
tors. eta vs tors. theta energy: -13.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -156.469670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.469670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.469670 (E_RNA)
where:
Base-Base interactions energy: -76.883
where: short stacking energy: -49.314
Base-Backbone interact. energy: -0.108
local terms energy: -79.478772
where:
bonds (distance) C4'-P energy: -25.126
bonds (distance) P-C4' energy: -30.362
flat angles C4'-P-C4' energy: -21.356
flat angles P-C4'-P energy: -3.138
tors. eta vs tors. theta energy: 0.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -156.218868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.218868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.218868 (E_RNA)
where:
Base-Base interactions energy: -53.508
where: short stacking energy: -53.142
Base-Backbone interact. energy: -0.401
local terms energy: -102.310096
where:
bonds (distance) C4'-P energy: -25.005
bonds (distance) P-C4' energy: -31.530
flat angles C4'-P-C4' energy: -28.956
flat angles P-C4'-P energy: -14.099
tors. eta vs tors. theta energy: -2.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -534.908634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.908634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.908634 (E_RNA)
where:
Base-Base interactions energy: -358.954
where: short stacking energy: -165.684
Base-Backbone interact. energy: -1.390
local terms energy: -174.564393
where:
bonds (distance) C4'-P energy: -33.071
bonds (distance) P-C4' energy: -31.755
flat angles C4'-P-C4' energy: -33.291
flat angles P-C4'-P energy: -24.883
tors. eta vs tors. theta energy: -51.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -507.833045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.833045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.833045 (E_RNA)
where:
Base-Base interactions energy: -347.264
where: short stacking energy: -154.798
Base-Backbone interact. energy: -2.138
local terms energy: -158.430602
where:
bonds (distance) C4'-P energy: -27.458
bonds (distance) P-C4' energy: -35.241
flat angles C4'-P-C4' energy: -37.923
flat angles P-C4'-P energy: -18.159
tors. eta vs tors. theta energy: -39.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -502.271404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.271404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.271404 (E_RNA)
where:
Base-Base interactions energy: -332.714
where: short stacking energy: -157.851
Base-Backbone interact. energy: -0.021
local terms energy: -169.536959
where:
bonds (distance) C4'-P energy: -28.711
bonds (distance) P-C4' energy: -28.082
flat angles C4'-P-C4' energy: -38.930
flat angles P-C4'-P energy: -25.839
tors. eta vs tors. theta energy: -47.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -476.948481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.948481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.948481 (E_RNA)
where:
Base-Base interactions energy: -320.262
where: short stacking energy: -129.889
Base-Backbone interact. energy: -0.835
local terms energy: -155.851066
where:
bonds (distance) C4'-P energy: -27.878
bonds (distance) P-C4' energy: -28.333
flat angles C4'-P-C4' energy: -37.309
flat angles P-C4'-P energy: -22.862
tors. eta vs tors. theta energy: -39.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -436.271904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.271904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.271904 (E_RNA)
where:
Base-Base interactions energy: -289.901
where: short stacking energy: -143.865
Base-Backbone interact. energy: -0.376
local terms energy: -145.994744
where:
bonds (distance) C4'-P energy: -28.090
bonds (distance) P-C4' energy: -25.472
flat angles C4'-P-C4' energy: -35.810
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: -45.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -340.183551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.183551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.183551 (E_RNA)
where:
Base-Base interactions energy: -231.056
where: short stacking energy: -97.192
Base-Backbone interact. energy: -1.419
local terms energy: -107.707800
where:
bonds (distance) C4'-P energy: -8.593
bonds (distance) P-C4' energy: -31.671
flat angles C4'-P-C4' energy: -20.520
flat angles P-C4'-P energy: -18.393
tors. eta vs tors. theta energy: -28.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -309.470492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.470492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.470492 (E_RNA)
where:
Base-Base interactions energy: -187.377
where: short stacking energy: -99.350
Base-Backbone interact. energy: -0.653
local terms energy: -121.440494
where:
bonds (distance) C4'-P energy: -24.166
bonds (distance) P-C4' energy: -31.201
flat angles C4'-P-C4' energy: -30.251
flat angles P-C4'-P energy: -16.961
tors. eta vs tors. theta energy: -18.861
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: 365
Temperature: 1.250000
Total energy: -167.939869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.939869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.939869 (E_RNA)
where:
Base-Base interactions energy: -72.042
where: short stacking energy: -53.756
Base-Backbone interact. energy: -0.138
local terms energy: -95.759385
where:
bonds (distance) C4'-P energy: -29.471
bonds (distance) P-C4' energy: -21.919
flat angles C4'-P-C4' energy: -25.887
flat angles P-C4'-P energy: -14.693
tors. eta vs tors. theta energy: -3.789
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: 5
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -161.954192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.954192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.954192 (E_RNA)
where:
Base-Base interactions energy: -63.657
where: short stacking energy: -46.823
Base-Backbone interact. energy: 0.067
local terms energy: -98.364236
where:
bonds (distance) C4'-P energy: -24.572
bonds (distance) P-C4' energy: -29.832
flat angles C4'-P-C4' energy: -27.837
flat angles P-C4'-P energy: -16.150
tors. eta vs tors. theta energy: 0.027
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: 9
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -158.161564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.161564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.161564 (E_RNA)
where:
Base-Base interactions energy: -63.593
where: short stacking energy: -60.336
Base-Backbone interact. energy: -0.970
local terms energy: -93.598278
where:
bonds (distance) C4'-P energy: -26.976
bonds (distance) P-C4' energy: -37.584
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -4.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -542.578732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.578732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.578732 (E_RNA)
where:
Base-Base interactions energy: -377.128
where: short stacking energy: -158.886
Base-Backbone interact. energy: -0.789
local terms energy: -164.662199
where:
bonds (distance) C4'-P energy: -30.353
bonds (distance) P-C4' energy: -27.875
flat angles C4'-P-C4' energy: -38.038
flat angles P-C4'-P energy: -26.043
tors. eta vs tors. theta energy: -42.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -494.376420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.376420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.376420 (E_RNA)
where:
Base-Base interactions energy: -342.695
where: short stacking energy: -149.627
Base-Backbone interact. energy: -0.908
local terms energy: -150.772971
where:
bonds (distance) C4'-P energy: -25.370
bonds (distance) P-C4' energy: -31.636
flat angles C4'-P-C4' energy: -29.244
flat angles P-C4'-P energy: -24.655
tors. eta vs tors. theta energy: -39.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -515.231780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.231780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.231780 (E_RNA)
where:
Base-Base interactions energy: -355.069
where: short stacking energy: -162.467
Base-Backbone interact. energy: -1.880
local terms energy: -158.282940
where:
bonds (distance) C4'-P energy: -27.880
bonds (distance) P-C4' energy: -30.552
flat angles C4'-P-C4' energy: -33.749
flat angles P-C4'-P energy: -26.543
tors. eta vs tors. theta energy: -39.559
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: 4, replica: 2
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -484.319943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.319943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.319943 (E_RNA)
where:
Base-Base interactions energy: -323.991
where: short stacking energy: -139.323
Base-Backbone interact. energy: -0.566
local terms energy: -159.763169
where:
bonds (distance) C4'-P energy: -29.620
bonds (distance) P-C4' energy: -31.743
flat angles C4'-P-C4' energy: -31.638
flat angles P-C4'-P energy: -22.560
tors. eta vs tors. theta energy: -44.202
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: 5, replica: 8
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -443.621187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.621187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.621187 (E_RNA)
where:
Base-Base interactions energy: -288.343
where: short stacking energy: -135.307
Base-Backbone interact. energy: 0.119
local terms energy: -155.396662
where:
bonds (distance) C4'-P energy: -29.189
bonds (distance) P-C4' energy: -30.556
flat angles C4'-P-C4' energy: -33.939
flat angles P-C4'-P energy: -25.078
tors. eta vs tors. theta energy: -36.634
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: 1
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -330.895927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.895927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.895927 (E_RNA)
where:
Base-Base interactions energy: -208.036
where: short stacking energy: -102.653
Base-Backbone interact. energy: 0.680
local terms energy: -123.539980
where:
bonds (distance) C4'-P energy: -26.842
bonds (distance) P-C4' energy: -27.063
flat angles C4'-P-C4' energy: -33.343
flat angles P-C4'-P energy: -16.992
tors. eta vs tors. theta energy: -19.299
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: 7, replica: 7
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -343.408610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.408610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.408610 (E_RNA)
where:
Base-Base interactions energy: -215.134
where: short stacking energy: -110.719
Base-Backbone interact. energy: -0.240
local terms energy: -128.034965
where:
bonds (distance) C4'-P energy: -26.883
bonds (distance) P-C4' energy: -27.824
flat angles C4'-P-C4' energy: -30.329
flat angles P-C4'-P energy: -17.770
tors. eta vs tors. theta energy: -25.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -186.058162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.058162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.058162 (E_RNA)
where:
Base-Base interactions energy: -81.784
where: short stacking energy: -64.119
Base-Backbone interact. energy: 0.433
local terms energy: -104.706882
where:
bonds (distance) C4'-P energy: -36.203
bonds (distance) P-C4' energy: -21.155
flat angles C4'-P-C4' energy: -26.855
flat angles P-C4'-P energy: -19.040
tors. eta vs tors. theta energy: -1.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -151.696839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.696839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.696839 (E_RNA)
where:
Base-Base interactions energy: -59.730
where: short stacking energy: -46.409
Base-Backbone interact. energy: 0.144
local terms energy: -92.110890
where:
bonds (distance) C4'-P energy: -30.793
bonds (distance) P-C4' energy: -19.773
flat angles C4'-P-C4' energy: -26.423
flat angles P-C4'-P energy: -18.601
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: 10, replica: 5
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -139.481431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.481431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.481431 (E_RNA)
where:
Base-Base interactions energy: -65.702
where: short stacking energy: -38.053
Base-Backbone interact. energy: -1.650
local terms energy: -72.128969
where:
bonds (distance) C4'-P energy: -17.264
bonds (distance) P-C4' energy: -37.025
flat angles C4'-P-C4' energy: -11.055
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: 3.591
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: 6
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -549.953097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.953097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.953097 (E_RNA)
where:
Base-Base interactions energy: -384.403
where: short stacking energy: -165.765
Base-Backbone interact. energy: -1.248
local terms energy: -164.301438
where:
bonds (distance) C4'-P energy: -27.299
bonds (distance) P-C4' energy: -35.023
flat angles C4'-P-C4' energy: -36.258
flat angles P-C4'-P energy: -18.953
tors. eta vs tors. theta energy: -46.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -508.839086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.839086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.839086 (E_RNA)
where:
Base-Base interactions energy: -350.937
where: short stacking energy: -155.548
Base-Backbone interact. energy: -1.476
local terms energy: -156.426338
where:
bonds (distance) C4'-P energy: -26.612
bonds (distance) P-C4' energy: -35.965
flat angles C4'-P-C4' energy: -28.455
flat angles P-C4'-P energy: -25.502
tors. eta vs tors. theta energy: -39.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -499.316515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.316515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.316515 (E_RNA)
where:
Base-Base interactions energy: -338.667
where: short stacking energy: -142.042
Base-Backbone interact. energy: -0.650
local terms energy: -159.999299
where:
bonds (distance) C4'-P energy: -31.588
bonds (distance) P-C4' energy: -31.282
flat angles C4'-P-C4' energy: -32.425
flat angles P-C4'-P energy: -26.921
tors. eta vs tors. theta energy: -37.782
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: 2
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -483.729124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.729124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.729124 (E_RNA)
where:
Base-Base interactions energy: -335.098
where: short stacking energy: -135.133
Base-Backbone interact. energy: -1.016
local terms energy: -147.614638
where:
bonds (distance) C4'-P energy: -24.222
bonds (distance) P-C4' energy: -36.094
flat angles C4'-P-C4' energy: -27.351
flat angles P-C4'-P energy: -22.954
tors. eta vs tors. theta energy: -36.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -434.432465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.432465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.432465 (E_RNA)
where:
Base-Base interactions energy: -286.399
where: short stacking energy: -137.674
Base-Backbone interact. energy: -2.233
local terms energy: -145.800372
where:
bonds (distance) C4'-P energy: -27.983
bonds (distance) P-C4' energy: -29.414
flat angles C4'-P-C4' energy: -28.199
flat angles P-C4'-P energy: -25.707
tors. eta vs tors. theta energy: -34.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -331.393083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.393083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.393083 (E_RNA)
where:
Base-Base interactions energy: -200.862
where: short stacking energy: -101.724
Base-Backbone interact. energy: -1.205
local terms energy: -129.326790
where:
bonds (distance) C4'-P energy: -27.944
bonds (distance) P-C4' energy: -33.996
flat angles C4'-P-C4' energy: -33.737
flat angles P-C4'-P energy: -14.543
tors. eta vs tors. theta energy: -19.107
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: 1
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -316.184965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.184965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.184965 (E_RNA)
where:
Base-Base interactions energy: -200.497
where: short stacking energy: -91.418
Base-Backbone interact. energy: -0.408
local terms energy: -115.280296
where:
bonds (distance) C4'-P energy: -32.833
bonds (distance) P-C4' energy: -31.798
flat angles C4'-P-C4' energy: -20.576
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -17.420
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: 4
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -198.024270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.024270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.024270 (E_RNA)
where:
Base-Base interactions energy: -93.222
where: short stacking energy: -77.628
Base-Backbone interact. energy: -0.332
local terms energy: -104.469681
where:
bonds (distance) C4'-P energy: -24.555
bonds (distance) P-C4' energy: -34.307
flat angles C4'-P-C4' energy: -21.333
flat angles P-C4'-P energy: -16.959
tors. eta vs tors. theta energy: -7.316
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: 367
Temperature: 1.300000
Total energy: -151.110020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.110020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.110020 (E_RNA)
where:
Base-Base interactions energy: -41.169
where: short stacking energy: -37.175
Base-Backbone interact. energy: 0.100
local terms energy: -110.040190
where:
bonds (distance) C4'-P energy: -26.604
bonds (distance) P-C4' energy: -31.797
flat angles C4'-P-C4' energy: -34.063
flat angles P-C4'-P energy: -17.895
tors. eta vs tors. theta energy: 0.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -151.145833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.145833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.145833 (E_RNA)
where:
Base-Base interactions energy: -72.891
where: short stacking energy: -37.165
Base-Backbone interact. energy: 1.043
local terms energy: -79.298529
where:
bonds (distance) C4'-P energy: -23.531
bonds (distance) P-C4' energy: -22.098
flat angles C4'-P-C4' energy: -21.855
flat angles P-C4'-P energy: -19.311
tors. eta vs tors. theta energy: 7.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -539.557405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.557405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.557405 (E_RNA)
where:
Base-Base interactions energy: -379.018
where: short stacking energy: -156.774
Base-Backbone interact. energy: -0.063
local terms energy: -160.476127
where:
bonds (distance) C4'-P energy: -26.203
bonds (distance) P-C4' energy: -32.266
flat angles C4'-P-C4' energy: -34.878
flat angles P-C4'-P energy: -19.955
tors. eta vs tors. theta energy: -47.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -512.737512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.737512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.737512 (E_RNA)
where:
Base-Base interactions energy: -357.429
where: short stacking energy: -143.568
Base-Backbone interact. energy: -0.522
local terms energy: -154.787094
where:
bonds (distance) C4'-P energy: -27.991
bonds (distance) P-C4' energy: -31.408
flat angles C4'-P-C4' energy: -33.889
flat angles P-C4'-P energy: -25.177
tors. eta vs tors. theta energy: -36.322
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: 368
Temperature: 1.000000
Total energy: -499.229858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.229858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.229858 (E_RNA)
where:
Base-Base interactions energy: -342.665
where: short stacking energy: -145.234
Base-Backbone interact. energy: -1.147
local terms energy: -155.417754
where:
bonds (distance) C4'-P energy: -29.534
bonds (distance) P-C4' energy: -33.761
flat angles C4'-P-C4' energy: -36.770
flat angles P-C4'-P energy: -17.586
tors. eta vs tors. theta energy: -37.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -496.461971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.461971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.461971 (E_RNA)
where:
Base-Base interactions energy: -334.592
where: short stacking energy: -141.800
Base-Backbone interact. energy: -0.699
local terms energy: -161.170220
where:
bonds (distance) C4'-P energy: -27.643
bonds (distance) P-C4' energy: -28.920
flat angles C4'-P-C4' energy: -33.199
flat angles P-C4'-P energy: -26.751
tors. eta vs tors. theta energy: -44.656
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: 8
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -462.160678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.160678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.160678 (E_RNA)
where:
Base-Base interactions energy: -298.657
where: short stacking energy: -144.833
Base-Backbone interact. energy: -0.871
local terms energy: -162.632348
where:
bonds (distance) C4'-P energy: -29.487
bonds (distance) P-C4' energy: -30.607
flat angles C4'-P-C4' energy: -36.385
flat angles P-C4'-P energy: -24.277
tors. eta vs tors. theta energy: -41.877
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: 6, replica: 7
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -354.416320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.416320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.416320 (E_RNA)
where:
Base-Base interactions energy: -219.790
where: short stacking energy: -123.451
Base-Backbone interact. energy: -1.490
local terms energy: -133.136084
where:
bonds (distance) C4'-P energy: -30.123
bonds (distance) P-C4' energy: -27.729
flat angles C4'-P-C4' energy: -37.200
flat angles P-C4'-P energy: -16.383
tors. eta vs tors. theta energy: -21.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -302.673783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.673783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.673783 (E_RNA)
where:
Base-Base interactions energy: -188.567
where: short stacking energy: -97.934
Base-Backbone interact. energy: 2.134
local terms energy: -116.241256
where:
bonds (distance) C4'-P energy: -20.283
bonds (distance) P-C4' energy: -32.760
flat angles C4'-P-C4' energy: -31.111
flat angles P-C4'-P energy: -13.635
tors. eta vs tors. theta energy: -18.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -194.293853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.293853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.293853 (E_RNA)
where:
Base-Base interactions energy: -83.424
where: short stacking energy: -56.600
Base-Backbone interact. energy: -0.511
local terms energy: -110.359745
where:
bonds (distance) C4'-P energy: -23.249
bonds (distance) P-C4' energy: -30.792
flat angles C4'-P-C4' energy: -30.868
flat angles P-C4'-P energy: -18.213
tors. eta vs tors. theta energy: -7.238
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: 5
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -156.251200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.251200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.251200 (E_RNA)
where:
Base-Base interactions energy: -53.480
where: short stacking energy: -50.085
Base-Backbone interact. energy: 1.075
local terms energy: -103.845611
where:
bonds (distance) C4'-P energy: -26.521
bonds (distance) P-C4' energy: -28.993
flat angles C4'-P-C4' energy: -28.533
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -9.046
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: 368
Temperature: 1.350000
Total energy: -155.890530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.890530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.890530 (E_RNA)
where:
Base-Base interactions energy: -74.175
where: short stacking energy: -55.171
Base-Backbone interact. energy: -1.386
local terms energy: -80.330272
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -27.862
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -16.791
tors. eta vs tors. theta energy: -3.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -540.765802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.765802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.765802 (E_RNA)
where:
Base-Base interactions energy: -366.411
where: short stacking energy: -166.215
Base-Backbone interact. energy: 0.258
local terms energy: -174.612002
where:
bonds (distance) C4'-P energy: -33.215
bonds (distance) P-C4' energy: -33.534
flat angles C4'-P-C4' energy: -33.218
flat angles P-C4'-P energy: -24.500
tors. eta vs tors. theta energy: -50.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -491.326080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.326080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.326080 (E_RNA)
where:
Base-Base interactions energy: -336.719
where: short stacking energy: -136.888
Base-Backbone interact. energy: -1.037
local terms energy: -153.570069
where:
bonds (distance) C4'-P energy: -29.130
bonds (distance) P-C4' energy: -27.786
flat angles C4'-P-C4' energy: -36.622
flat angles P-C4'-P energy: -19.274
tors. eta vs tors. theta energy: -40.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -499.359050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.359050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.359050 (E_RNA)
where:
Base-Base interactions energy: -341.066
where: short stacking energy: -143.488
Base-Backbone interact. energy: -0.270
local terms energy: -158.023241
where:
bonds (distance) C4'-P energy: -30.252
bonds (distance) P-C4' energy: -36.753
flat angles C4'-P-C4' energy: -32.318
flat angles P-C4'-P energy: -25.125
tors. eta vs tors. theta energy: -33.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -493.373126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.373126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.373126 (E_RNA)
where:
Base-Base interactions energy: -328.623
where: short stacking energy: -149.881
Base-Backbone interact. energy: -0.764
local terms energy: -163.986822
where:
bonds (distance) C4'-P energy: -33.681
bonds (distance) P-C4' energy: -25.118
flat angles C4'-P-C4' energy: -34.163
flat angles P-C4'-P energy: -24.049
tors. eta vs tors. theta energy: -46.976
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: 8
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -452.549036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.549036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.549036 (E_RNA)
where:
Base-Base interactions energy: -287.710
where: short stacking energy: -152.064
Base-Backbone interact. energy: 2.011
local terms energy: -166.849704
where:
bonds (distance) C4'-P energy: -30.723
bonds (distance) P-C4' energy: -31.428
flat angles C4'-P-C4' energy: -31.539
flat angles P-C4'-P energy: -25.148
tors. eta vs tors. theta energy: -48.013
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: 1
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -346.028453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.028453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.028453 (E_RNA)
where:
Base-Base interactions energy: -213.333
where: short stacking energy: -108.909
Base-Backbone interact. energy: -0.117
local terms energy: -132.578332
where:
bonds (distance) C4'-P energy: -28.562
bonds (distance) P-C4' energy: -25.837
flat angles C4'-P-C4' energy: -35.282
flat angles P-C4'-P energy: -16.373
tors. eta vs tors. theta energy: -26.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -318.024231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.024231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.024231 (E_RNA)
where:
Base-Base interactions energy: -198.107
where: short stacking energy: -107.628
Base-Backbone interact. energy: -0.823
local terms energy: -119.094038
where:
bonds (distance) C4'-P energy: -24.049
bonds (distance) P-C4' energy: -29.292
flat angles C4'-P-C4' energy: -26.239
flat angles P-C4'-P energy: -22.208
tors. eta vs tors. theta energy: -17.307
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: 4
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -190.430782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.430782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.430782 (E_RNA)
where:
Base-Base interactions energy: -99.929
where: short stacking energy: -71.174
Base-Backbone interact. energy: -0.342
local terms energy: -90.160293
where:
bonds (distance) C4'-P energy: -21.704
bonds (distance) P-C4' energy: -19.798
flat angles C4'-P-C4' energy: -27.243
flat angles P-C4'-P energy: -14.393
tors. eta vs tors. theta energy: -7.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -179.477198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.477198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.477198 (E_RNA)
where:
Base-Base interactions energy: -86.060
where: short stacking energy: -61.293
Base-Backbone interact. energy: 0.185
local terms energy: -93.602782
where:
bonds (distance) C4'-P energy: -17.658
bonds (distance) P-C4' energy: -26.752
flat angles C4'-P-C4' energy: -30.200
flat angles P-C4'-P energy: -16.466
tors. eta vs tors. theta energy: -2.526
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: 369
Temperature: 1.350000
Total energy: -153.278773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.278773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.278773 (E_RNA)
where:
Base-Base interactions energy: -51.600
where: short stacking energy: -47.536
Base-Backbone interact. energy: -0.443
local terms energy: -101.235147
where:
bonds (distance) C4'-P energy: -27.864
bonds (distance) P-C4' energy: -27.553
flat angles C4'-P-C4' energy: -25.782
flat angles P-C4'-P energy: -13.674
tors. eta vs tors. theta energy: -6.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -531.888140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.888140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.888140 (E_RNA)
where:
Base-Base interactions energy: -365.327
where: short stacking energy: -162.135
Base-Backbone interact. energy: -0.735
local terms energy: -165.825864
where:
bonds (distance) C4'-P energy: -27.398
bonds (distance) P-C4' energy: -31.672
flat angles C4'-P-C4' energy: -38.111
flat angles P-C4'-P energy: -27.295
tors. eta vs tors. theta energy: -41.350
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: 2, replica: 3
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -513.213027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.213027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.213027 (E_RNA)
where:
Base-Base interactions energy: -357.919
where: short stacking energy: -145.913
Base-Backbone interact. energy: -3.153
local terms energy: -152.140343
where:
bonds (distance) C4'-P energy: -24.770
bonds (distance) P-C4' energy: -34.674
flat angles C4'-P-C4' energy: -34.053
flat angles P-C4'-P energy: -18.954
tors. eta vs tors. theta energy: -39.690
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: 2
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -501.261401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.261401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.261401 (E_RNA)
where:
Base-Base interactions energy: -346.473
where: short stacking energy: -154.195
Base-Backbone interact. energy: -1.610
local terms energy: -153.178278
where:
bonds (distance) C4'-P energy: -32.703
bonds (distance) P-C4' energy: -32.175
flat angles C4'-P-C4' energy: -30.331
flat angles P-C4'-P energy: -14.857
tors. eta vs tors. theta energy: -43.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -496.264444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.264444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.264444 (E_RNA)
where:
Base-Base interactions energy: -346.133
where: short stacking energy: -142.756
Base-Backbone interact. energy: -0.781
local terms energy: -149.349843
where:
bonds (distance) C4'-P energy: -33.115
bonds (distance) P-C4' energy: -25.095
flat angles C4'-P-C4' energy: -31.945
flat angles P-C4'-P energy: -18.839
tors. eta vs tors. theta energy: -40.355
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: 5, replica: 8
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -431.232921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.232921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.232921 (E_RNA)
where:
Base-Base interactions energy: -285.414
where: short stacking energy: -121.580
Base-Backbone interact. energy: -0.705
local terms energy: -145.113365
where:
bonds (distance) C4'-P energy: -27.563
bonds (distance) P-C4' energy: -32.507
flat angles C4'-P-C4' energy: -27.335
flat angles P-C4'-P energy: -22.257
tors. eta vs tors. theta energy: -35.452
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: 6, replica: 1
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -338.962184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.962184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.962184 (E_RNA)
where:
Base-Base interactions energy: -201.678
where: short stacking energy: -91.072
Base-Backbone interact. energy: -2.522
local terms energy: -134.761648
where:
bonds (distance) C4'-P energy: -33.721
bonds (distance) P-C4' energy: -29.560
flat angles C4'-P-C4' energy: -23.826
flat angles P-C4'-P energy: -23.886
tors. eta vs tors. theta energy: -23.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -331.602638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.602638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.602638 (E_RNA)
where:
Base-Base interactions energy: -216.994
where: short stacking energy: -106.063
Base-Backbone interact. energy: -0.601
local terms energy: -114.007747
where:
bonds (distance) C4'-P energy: -22.103
bonds (distance) P-C4' energy: -24.939
flat angles C4'-P-C4' energy: -22.815
flat angles P-C4'-P energy: -19.520
tors. eta vs tors. theta energy: -24.631
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: 4
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -184.609794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.609794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.609794 (E_RNA)
where:
Base-Base interactions energy: -72.488
where: short stacking energy: -62.574
Base-Backbone interact. energy: -0.347
local terms energy: -111.774618
where:
bonds (distance) C4'-P energy: -28.425
bonds (distance) P-C4' energy: -29.325
flat angles C4'-P-C4' energy: -23.267
flat angles P-C4'-P energy: -22.646
tors. eta vs tors. theta energy: -8.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -158.289895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.289895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.289895 (E_RNA)
where:
Base-Base interactions energy: -54.775
where: short stacking energy: -51.357
Base-Backbone interact. energy: 1.504
local terms energy: -105.018862
where:
bonds (distance) C4'-P energy: -31.213
bonds (distance) P-C4' energy: -27.264
flat angles C4'-P-C4' energy: -24.814
flat angles P-C4'-P energy: -21.142
tors. eta vs tors. theta energy: -0.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -149.829310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.829310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.829310 (E_RNA)
where:
Base-Base interactions energy: -54.181
where: short stacking energy: -50.066
Base-Backbone interact. energy: 1.724
local terms energy: -97.372903
where:
bonds (distance) C4'-P energy: -21.799
bonds (distance) P-C4' energy: -23.192
flat angles C4'-P-C4' energy: -28.879
flat angles P-C4'-P energy: -19.126
tors. eta vs tors. theta energy: -4.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -536.777607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.777607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.777607 (E_RNA)
where:
Base-Base interactions energy: -373.781
where: short stacking energy: -161.335
Base-Backbone interact. energy: -0.176
local terms energy: -162.819870
where:
bonds (distance) C4'-P energy: -27.848
bonds (distance) P-C4' energy: -33.125
flat angles C4'-P-C4' energy: -33.591
flat angles P-C4'-P energy: -25.117
tors. eta vs tors. theta energy: -43.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -518.995524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.995524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.995524 (E_RNA)
where:
Base-Base interactions energy: -356.662
where: short stacking energy: -157.247
Base-Backbone interact. energy: 1.744
local terms energy: -164.077335
where:
bonds (distance) C4'-P energy: -27.355
bonds (distance) P-C4' energy: -35.330
flat angles C4'-P-C4' energy: -33.228
flat angles P-C4'-P energy: -20.670
tors. eta vs tors. theta energy: -47.495
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: 3
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -498.141256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.141256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.141256 (E_RNA)
where:
Base-Base interactions energy: -336.201
where: short stacking energy: -142.256
Base-Backbone interact. energy: 1.553
local terms energy: -163.493511
where:
bonds (distance) C4'-P energy: -35.582
bonds (distance) P-C4' energy: -31.711
flat angles C4'-P-C4' energy: -34.576
flat angles P-C4'-P energy: -21.321
tors. eta vs tors. theta energy: -40.303
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: 371
Temperature: 1.050000
Total energy: -490.336001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.336001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.336001 (E_RNA)
where:
Base-Base interactions energy: -333.902
where: short stacking energy: -142.635
Base-Backbone interact. energy: -0.867
local terms energy: -155.567509
where:
bonds (distance) C4'-P energy: -25.614
bonds (distance) P-C4' energy: -29.918
flat angles C4'-P-C4' energy: -30.284
flat angles P-C4'-P energy: -28.756
tors. eta vs tors. theta energy: -40.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -434.410907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.410907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.410907 (E_RNA)
where:
Base-Base interactions energy: -279.991
where: short stacking energy: -128.450
Base-Backbone interact. energy: -2.111
local terms energy: -152.308677
where:
bonds (distance) C4'-P energy: -28.652
bonds (distance) P-C4' energy: -30.750
flat angles C4'-P-C4' energy: -36.064
flat angles P-C4'-P energy: -16.074
tors. eta vs tors. theta energy: -40.769
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: 6, replica: 1
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -346.992592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.992592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.992592 (E_RNA)
where:
Base-Base interactions energy: -232.349
where: short stacking energy: -92.114
Base-Backbone interact. energy: 0.154
local terms energy: -114.797485
where:
bonds (distance) C4'-P energy: -27.688
bonds (distance) P-C4' energy: -25.503
flat angles C4'-P-C4' energy: -23.833
flat angles P-C4'-P energy: -18.736
tors. eta vs tors. theta energy: -19.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -314.329448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.329448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.329448 (E_RNA)
where:
Base-Base interactions energy: -210.426
where: short stacking energy: -104.233
Base-Backbone interact. energy: 0.595
local terms energy: -104.498365
where:
bonds (distance) C4'-P energy: -25.773
bonds (distance) P-C4' energy: -14.878
flat angles C4'-P-C4' energy: -28.846
flat angles P-C4'-P energy: -12.038
tors. eta vs tors. theta energy: -22.964
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: 9
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -175.754968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.754968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.754968 (E_RNA)
where:
Base-Base interactions energy: -73.553
where: short stacking energy: -51.218
Base-Backbone interact. energy: 0.568
local terms energy: -102.770705
where:
bonds (distance) C4'-P energy: -26.067
bonds (distance) P-C4' energy: -25.889
flat angles C4'-P-C4' energy: -25.606
flat angles P-C4'-P energy: -21.917
tors. eta vs tors. theta energy: -3.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -166.788202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.788202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.788202 (E_RNA)
where:
Base-Base interactions energy: -80.279
where: short stacking energy: -42.263
Base-Backbone interact. energy: 0.737
local terms energy: -87.245766
where:
bonds (distance) C4'-P energy: -30.438
bonds (distance) P-C4' energy: -33.067
flat angles C4'-P-C4' energy: -11.431
flat angles P-C4'-P energy: -16.538
tors. eta vs tors. theta energy: 4.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -158.631618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.631618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.631618 (E_RNA)
where:
Base-Base interactions energy: -68.171
where: short stacking energy: -49.886
Base-Backbone interact. energy: 0.916
local terms energy: -91.375725
where:
bonds (distance) C4'-P energy: -26.653
bonds (distance) P-C4' energy: -18.792
flat angles C4'-P-C4' energy: -28.146
flat angles P-C4'-P energy: -18.486
tors. eta vs tors. theta energy: 0.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -562.829750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.829750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.829750 (E_RNA)
where:
Base-Base interactions energy: -391.767
where: short stacking energy: -167.857
Base-Backbone interact. energy: -1.502
local terms energy: -169.561270
where:
bonds (distance) C4'-P energy: -26.882
bonds (distance) P-C4' energy: -36.889
flat angles C4'-P-C4' energy: -37.819
flat angles P-C4'-P energy: -26.287
tors. eta vs tors. theta energy: -41.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -505.620824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.620824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.620824 (E_RNA)
where:
Base-Base interactions energy: -338.027
where: short stacking energy: -151.958
Base-Backbone interact. energy: -1.111
local terms energy: -166.482792
where:
bonds (distance) C4'-P energy: -28.360
bonds (distance) P-C4' energy: -29.551
flat angles C4'-P-C4' energy: -37.326
flat angles P-C4'-P energy: -26.102
tors. eta vs tors. theta energy: -45.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -482.635384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.635384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.635384 (E_RNA)
where:
Base-Base interactions energy: -328.104
where: short stacking energy: -141.201
Base-Backbone interact. energy: -0.493
local terms energy: -154.038835
where:
bonds (distance) C4'-P energy: -32.387
bonds (distance) P-C4' energy: -26.910
flat angles C4'-P-C4' energy: -30.227
flat angles P-C4'-P energy: -22.565
tors. eta vs tors. theta energy: -41.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -475.339072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.339072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.339072 (E_RNA)
where:
Base-Base interactions energy: -331.684
where: short stacking energy: -136.503
Base-Backbone interact. energy: -0.511
local terms energy: -143.143895
where:
bonds (distance) C4'-P energy: -30.776
bonds (distance) P-C4' energy: -23.083
flat angles C4'-P-C4' energy: -32.345
flat angles P-C4'-P energy: -20.073
tors. eta vs tors. theta energy: -36.866
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: 8
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -447.081030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.081030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.081030 (E_RNA)
where:
Base-Base interactions energy: -290.765
where: short stacking energy: -148.465
Base-Backbone interact. energy: -0.161
local terms energy: -156.154961
where:
bonds (distance) C4'-P energy: -27.144
bonds (distance) P-C4' energy: -30.970
flat angles C4'-P-C4' energy: -34.684
flat angles P-C4'-P energy: -21.170
tors. eta vs tors. theta energy: -42.187
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: 1
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -361.039822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.039822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.039822 (E_RNA)
where:
Base-Base interactions energy: -233.699
where: short stacking energy: -109.037
Base-Backbone interact. energy: -2.121
local terms energy: -125.219893
where:
bonds (distance) C4'-P energy: -23.902
bonds (distance) P-C4' energy: -30.763
flat angles C4'-P-C4' energy: -22.854
flat angles P-C4'-P energy: -25.305
tors. eta vs tors. theta energy: -22.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -192.922403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.922403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.922403 (E_RNA)
where:
Base-Base interactions energy: -80.055
where: short stacking energy: -61.786
Base-Backbone interact. energy: 0.425
local terms energy: -113.292587
where:
bonds (distance) C4'-P energy: -30.620
bonds (distance) P-C4' energy: -35.293
flat angles C4'-P-C4' energy: -22.811
flat angles P-C4'-P energy: -21.650
tors. eta vs tors. theta energy: -2.917
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: 8, replica: 7
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -328.316676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.316676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.316676 (E_RNA)
where:
Base-Base interactions energy: -212.985
where: short stacking energy: -101.477
Base-Backbone interact. energy: 1.563
local terms energy: -116.894676
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -33.067
flat angles C4'-P-C4' energy: -26.013
flat angles P-C4'-P energy: -21.943
tors. eta vs tors. theta energy: -20.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -157.917098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.917098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.917098 (E_RNA)
where:
Base-Base interactions energy: -52.919
where: short stacking energy: -42.993
Base-Backbone interact. energy: -1.267
local terms energy: -103.730528
where:
bonds (distance) C4'-P energy: -24.602
bonds (distance) P-C4' energy: -30.226
flat angles C4'-P-C4' energy: -27.507
flat angles P-C4'-P energy: -15.332
tors. eta vs tors. theta energy: -6.063
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: 4
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -168.194231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.194231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.194231 (E_RNA)
where:
Base-Base interactions energy: -61.929
where: short stacking energy: -62.391
Base-Backbone interact. energy: 3.026
local terms energy: -109.291577
where:
bonds (distance) C4'-P energy: -27.409
bonds (distance) P-C4' energy: -31.121
flat angles C4'-P-C4' energy: -18.018
flat angles P-C4'-P energy: -18.179
tors. eta vs tors. theta energy: -14.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -552.255566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.255566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.255566 (E_RNA)
where:
Base-Base interactions energy: -378.370
where: short stacking energy: -163.997
Base-Backbone interact. energy: 0.294
local terms energy: -174.179829
where:
bonds (distance) C4'-P energy: -28.191
bonds (distance) P-C4' energy: -37.724
flat angles C4'-P-C4' energy: -38.382
flat angles P-C4'-P energy: -25.248
tors. eta vs tors. theta energy: -44.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -498.344656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.344656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.344656 (E_RNA)
where:
Base-Base interactions energy: -345.645
where: short stacking energy: -146.590
Base-Backbone interact. energy: 3.535
local terms energy: -156.234343
where:
bonds (distance) C4'-P energy: -29.837
bonds (distance) P-C4' energy: -36.251
flat angles C4'-P-C4' energy: -32.860
flat angles P-C4'-P energy: -22.481
tors. eta vs tors. theta energy: -34.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -503.309831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.309831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.309831 (E_RNA)
where:
Base-Base interactions energy: -345.156
where: short stacking energy: -144.466
Base-Backbone interact. energy: -1.024
local terms energy: -157.130218
where:
bonds (distance) C4'-P energy: -26.062
bonds (distance) P-C4' energy: -30.325
flat angles C4'-P-C4' energy: -37.107
flat angles P-C4'-P energy: -20.125
tors. eta vs tors. theta energy: -43.511
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: 10
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -479.256557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.256557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.256557 (E_RNA)
where:
Base-Base interactions energy: -327.137
where: short stacking energy: -137.412
Base-Backbone interact. energy: -0.162
local terms energy: -151.958008
where:
bonds (distance) C4'-P energy: -30.742
bonds (distance) P-C4' energy: -30.600
flat angles C4'-P-C4' energy: -33.615
flat angles P-C4'-P energy: -23.997
tors. eta vs tors. theta energy: -33.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -435.474605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.474605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.474605 (E_RNA)
where:
Base-Base interactions energy: -294.620
where: short stacking energy: -125.869
Base-Backbone interact. energy: -0.781
local terms energy: -140.073134
where:
bonds (distance) C4'-P energy: -22.539
bonds (distance) P-C4' energy: -30.242
flat angles C4'-P-C4' energy: -30.285
flat angles P-C4'-P energy: -16.517
tors. eta vs tors. theta energy: -40.490
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: 1
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -348.698357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.698357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.698357 (E_RNA)
where:
Base-Base interactions energy: -212.504
where: short stacking energy: -104.760
Base-Backbone interact. energy: -0.261
local terms energy: -135.933797
where:
bonds (distance) C4'-P energy: -29.439
bonds (distance) P-C4' energy: -33.658
flat angles C4'-P-C4' energy: -25.398
flat angles P-C4'-P energy: -22.099
tors. eta vs tors. theta energy: -25.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -235.238908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.238908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.238908 (E_RNA)
where:
Base-Base interactions energy: -127.019
where: short stacking energy: -72.273
Base-Backbone interact. energy: -0.728
local terms energy: -107.491557
where:
bonds (distance) C4'-P energy: -21.201
bonds (distance) P-C4' energy: -27.648
flat angles C4'-P-C4' energy: -30.700
flat angles P-C4'-P energy: -20.530
tors. eta vs tors. theta energy: -7.412
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: 373
Temperature: 1.250000
Total energy: -324.654288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.654288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.654288 (E_RNA)
where:
Base-Base interactions energy: -215.267
where: short stacking energy: -93.262
Base-Backbone interact. energy: -0.529
local terms energy: -108.858050
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -33.854
flat angles C4'-P-C4' energy: -26.726
flat angles P-C4'-P energy: -20.007
tors. eta vs tors. theta energy: -14.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -162.968104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.968104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.968104 (E_RNA)
where:
Base-Base interactions energy: -68.722
where: short stacking energy: -61.918
Base-Backbone interact. energy: -0.460
local terms energy: -93.786146
where:
bonds (distance) C4'-P energy: -26.727
bonds (distance) P-C4' energy: -31.429
flat angles C4'-P-C4' energy: -26.229
flat angles P-C4'-P energy: -7.272
tors. eta vs tors. theta energy: -2.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -164.785989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.785989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.785989 (E_RNA)
where:
Base-Base interactions energy: -71.780
where: short stacking energy: -53.991
Base-Backbone interact. energy: -1.044
local terms energy: -91.961874
where:
bonds (distance) C4'-P energy: -24.948
bonds (distance) P-C4' energy: -27.762
flat angles C4'-P-C4' energy: -27.367
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -1.544
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: 6
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -550.697436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.697436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.697436 (E_RNA)
where:
Base-Base interactions energy: -392.298
where: short stacking energy: -159.512
Base-Backbone interact. energy: -0.114
local terms energy: -158.285252
where:
bonds (distance) C4'-P energy: -26.470
bonds (distance) P-C4' energy: -29.419
flat angles C4'-P-C4' energy: -33.571
flat angles P-C4'-P energy: -26.231
tors. eta vs tors. theta energy: -42.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -491.336641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.336641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.336641 (E_RNA)
where:
Base-Base interactions energy: -328.358
where: short stacking energy: -137.295
Base-Backbone interact. energy: -1.998
local terms energy: -160.979890
where:
bonds (distance) C4'-P energy: -32.893
bonds (distance) P-C4' energy: -33.690
flat angles C4'-P-C4' energy: -32.281
flat angles P-C4'-P energy: -24.658
tors. eta vs tors. theta energy: -37.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -508.702006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.702006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.702006 (E_RNA)
where:
Base-Base interactions energy: -343.921
where: short stacking energy: -156.004
Base-Backbone interact. energy: -0.325
local terms energy: -164.456727
where:
bonds (distance) C4'-P energy: -29.809
bonds (distance) P-C4' energy: -35.442
flat angles C4'-P-C4' energy: -32.462
flat angles P-C4'-P energy: -19.374
tors. eta vs tors. theta energy: -47.370
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: 374
Temperature: 1.050000
Total energy: -502.854975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.854975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.854975 (E_RNA)
where:
Base-Base interactions energy: -346.015
where: short stacking energy: -151.424
Base-Backbone interact. energy: -1.027
local terms energy: -155.813689
where:
bonds (distance) C4'-P energy: -25.284
bonds (distance) P-C4' energy: -32.566
flat angles C4'-P-C4' energy: -34.829
flat angles P-C4'-P energy: -23.978
tors. eta vs tors. theta energy: -39.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -439.315324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.315324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.315324 (E_RNA)
where:
Base-Base interactions energy: -293.858
where: short stacking energy: -143.276
Base-Backbone interact. energy: -0.545
local terms energy: -144.912389
where:
bonds (distance) C4'-P energy: -29.041
bonds (distance) P-C4' energy: -29.361
flat angles C4'-P-C4' energy: -31.049
flat angles P-C4'-P energy: -17.263
tors. eta vs tors. theta energy: -38.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -352.232567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.232567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.232567 (E_RNA)
where:
Base-Base interactions energy: -212.172
where: short stacking energy: -98.985
Base-Backbone interact. energy: -0.765
local terms energy: -139.295368
where:
bonds (distance) C4'-P energy: -33.856
bonds (distance) P-C4' energy: -32.321
flat angles C4'-P-C4' energy: -32.024
flat angles P-C4'-P energy: -17.353
tors. eta vs tors. theta energy: -23.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -337.014314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.014314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.014314 (E_RNA)
where:
Base-Base interactions energy: -210.558
where: short stacking energy: -89.806
Base-Backbone interact. energy: -0.742
local terms energy: -125.714122
where:
bonds (distance) C4'-P energy: -23.317
bonds (distance) P-C4' energy: -28.560
flat angles C4'-P-C4' energy: -31.752
flat angles P-C4'-P energy: -26.551
tors. eta vs tors. theta energy: -15.534
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: 9
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -186.361817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.361817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.361817 (E_RNA)
where:
Base-Base interactions energy: -94.394
where: short stacking energy: -49.898
Base-Backbone interact. energy: -0.091
local terms energy: -91.876943
where:
bonds (distance) C4'-P energy: -36.120
bonds (distance) P-C4' energy: -23.578
flat angles C4'-P-C4' energy: -21.207
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: 0.357
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: 4
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -218.789448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.789448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.789448 (E_RNA)
where:
Base-Base interactions energy: -125.309
where: short stacking energy: -66.219
Base-Backbone interact. energy: 0.966
local terms energy: -94.446314
where:
bonds (distance) C4'-P energy: -22.980
bonds (distance) P-C4' energy: -20.303
flat angles C4'-P-C4' energy: -23.399
flat angles P-C4'-P energy: -20.059
tors. eta vs tors. theta energy: -7.705
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: 10, replica: 5
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -193.885408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.885408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.885408 (E_RNA)
where:
Base-Base interactions energy: -108.519
where: short stacking energy: -72.803
Base-Backbone interact. energy: -0.534
local terms energy: -84.833290
where:
bonds (distance) C4'-P energy: -21.944
bonds (distance) P-C4' energy: -30.157
flat angles C4'-P-C4' energy: -24.191
flat angles P-C4'-P energy: -4.699
tors. eta vs tors. theta energy: -3.843
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: 6
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -552.479312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.479312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.479312 (E_RNA)
where:
Base-Base interactions energy: -381.687
where: short stacking energy: -161.090
Base-Backbone interact. energy: -1.913
local terms energy: -168.878770
where:
bonds (distance) C4'-P energy: -33.407
bonds (distance) P-C4' energy: -28.906
flat angles C4'-P-C4' energy: -35.952
flat angles P-C4'-P energy: -28.181
tors. eta vs tors. theta energy: -42.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -509.537931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.537931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.537931 (E_RNA)
where:
Base-Base interactions energy: -354.621
where: short stacking energy: -156.764
Base-Backbone interact. energy: -0.857
local terms energy: -154.060003
where:
bonds (distance) C4'-P energy: -30.290
bonds (distance) P-C4' energy: -23.974
flat angles C4'-P-C4' energy: -29.527
flat angles P-C4'-P energy: -24.533
tors. eta vs tors. theta energy: -45.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -506.971340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.971340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.971340 (E_RNA)
where:
Base-Base interactions energy: -351.727
where: short stacking energy: -143.854
Base-Backbone interact. energy: -0.304
local terms energy: -154.940009
where:
bonds (distance) C4'-P energy: -34.759
bonds (distance) P-C4' energy: -23.239
flat angles C4'-P-C4' energy: -34.519
flat angles P-C4'-P energy: -27.438
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: 4, replica: 10
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -505.148612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.148612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.148612 (E_RNA)
where:
Base-Base interactions energy: -344.852
where: short stacking energy: -144.920
Base-Backbone interact. energy: 1.579
local terms energy: -161.875496
where:
bonds (distance) C4'-P energy: -31.891
bonds (distance) P-C4' energy: -30.586
flat angles C4'-P-C4' energy: -34.250
flat angles P-C4'-P energy: -22.320
tors. eta vs tors. theta energy: -42.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -431.573451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.573451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.573451 (E_RNA)
where:
Base-Base interactions energy: -281.578
where: short stacking energy: -128.685
Base-Backbone interact. energy: -0.793
local terms energy: -149.202526
where:
bonds (distance) C4'-P energy: -32.541
bonds (distance) P-C4' energy: -23.916
flat angles C4'-P-C4' energy: -34.253
flat angles P-C4'-P energy: -21.670
tors. eta vs tors. theta energy: -36.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -352.555516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.555516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.555516 (E_RNA)
where:
Base-Base interactions energy: -221.767
where: short stacking energy: -99.242
Base-Backbone interact. energy: -0.728
local terms energy: -130.060676
where:
bonds (distance) C4'-P energy: -30.110
bonds (distance) P-C4' energy: -32.808
flat angles C4'-P-C4' energy: -22.651
flat angles P-C4'-P energy: -19.281
tors. eta vs tors. theta energy: -25.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -350.129813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.129813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.129813 (E_RNA)
where:
Base-Base interactions energy: -234.281
where: short stacking energy: -104.158
Base-Backbone interact. energy: -2.121
local terms energy: -113.728122
where:
bonds (distance) C4'-P energy: -30.137
bonds (distance) P-C4' energy: -22.349
flat angles C4'-P-C4' energy: -32.123
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -19.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -208.538153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.538153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.538153 (E_RNA)
where:
Base-Base interactions energy: -101.883
where: short stacking energy: -60.035
Base-Backbone interact. energy: -0.830
local terms energy: -105.825140
where:
bonds (distance) C4'-P energy: -27.035
bonds (distance) P-C4' energy: -27.367
flat angles C4'-P-C4' energy: -30.399
flat angles P-C4'-P energy: -15.466
tors. eta vs tors. theta energy: -5.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -160.101781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.101781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.101781 (E_RNA)
where:
Base-Base interactions energy: -60.454
where: short stacking energy: -58.856
Base-Backbone interact. energy: -0.354
local terms energy: -99.293117
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -28.881
flat angles C4'-P-C4' energy: -25.728
flat angles P-C4'-P energy: -18.632
tors. eta vs tors. theta energy: -11.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -154.226773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.226773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.226773 (E_RNA)
where:
Base-Base interactions energy: -57.848
where: short stacking energy: -41.217
Base-Backbone interact. energy: 2.062
local terms energy: -98.440444
where:
bonds (distance) C4'-P energy: -24.510
bonds (distance) P-C4' energy: -28.975
flat angles C4'-P-C4' energy: -24.057
flat angles P-C4'-P energy: -19.567
tors. eta vs tors. theta energy: -1.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -546.519172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.519172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.519172 (E_RNA)
where:
Base-Base interactions energy: -378.356
where: short stacking energy: -168.653
Base-Backbone interact. energy: -0.366
local terms energy: -167.797083
where:
bonds (distance) C4'-P energy: -22.575
bonds (distance) P-C4' energy: -36.736
flat angles C4'-P-C4' energy: -37.370
flat angles P-C4'-P energy: -25.929
tors. eta vs tors. theta energy: -45.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -524.896237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.896237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.896237 (E_RNA)
where:
Base-Base interactions energy: -350.157
where: short stacking energy: -168.572
Base-Backbone interact. energy: -0.520
local terms energy: -174.219528
where:
bonds (distance) C4'-P energy: -31.982
bonds (distance) P-C4' energy: -30.144
flat angles C4'-P-C4' energy: -37.663
flat angles P-C4'-P energy: -24.614
tors. eta vs tors. theta energy: -49.817
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: 376
Temperature: 1.000000
Total energy: -491.283895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.283895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.283895 (E_RNA)
where:
Base-Base interactions energy: -332.228
where: short stacking energy: -151.717
Base-Backbone interact. energy: 3.489
local terms energy: -162.544545
where:
bonds (distance) C4'-P energy: -30.873
bonds (distance) P-C4' energy: -28.664
flat angles C4'-P-C4' energy: -36.718
flat angles P-C4'-P energy: -28.519
tors. eta vs tors. theta energy: -37.770
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: 3
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -478.721337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.721337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.721337 (E_RNA)
where:
Base-Base interactions energy: -336.466
where: short stacking energy: -136.280
Base-Backbone interact. energy: -3.476
local terms energy: -138.779627
where:
bonds (distance) C4'-P energy: -27.395
bonds (distance) P-C4' energy: -26.971
flat angles C4'-P-C4' energy: -28.171
flat angles P-C4'-P energy: -21.126
tors. eta vs tors. theta energy: -35.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -446.761883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.761883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.761883 (E_RNA)
where:
Base-Base interactions energy: -304.177
where: short stacking energy: -134.775
Base-Backbone interact. energy: 2.255
local terms energy: -144.839070
where:
bonds (distance) C4'-P energy: -22.047
bonds (distance) P-C4' energy: -31.733
flat angles C4'-P-C4' energy: -33.297
flat angles P-C4'-P energy: -25.636
tors. eta vs tors. theta energy: -32.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -362.864148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.864148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.864148 (E_RNA)
where:
Base-Base interactions energy: -236.925
where: short stacking energy: -129.811
Base-Backbone interact. energy: -0.326
local terms energy: -125.612548
where:
bonds (distance) C4'-P energy: -26.409
bonds (distance) P-C4' energy: -23.648
flat angles C4'-P-C4' energy: -27.744
flat angles P-C4'-P energy: -12.495
tors. eta vs tors. theta energy: -35.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -339.769346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.769346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.769346 (E_RNA)
where:
Base-Base interactions energy: -228.563
where: short stacking energy: -96.670
Base-Backbone interact. energy: -0.635
local terms energy: -110.570740
where:
bonds (distance) C4'-P energy: -22.053
bonds (distance) P-C4' energy: -26.242
flat angles C4'-P-C4' energy: -29.877
flat angles P-C4'-P energy: -15.219
tors. eta vs tors. theta energy: -17.179
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: 4
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -203.814336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.814336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.814336 (E_RNA)
where:
Base-Base interactions energy: -94.324
where: short stacking energy: -67.687
Base-Backbone interact. energy: -1.640
local terms energy: -107.850490
where:
bonds (distance) C4'-P energy: -25.978
bonds (distance) P-C4' energy: -26.227
flat angles C4'-P-C4' energy: -26.307
flat angles P-C4'-P energy: -18.486
tors. eta vs tors. theta energy: -10.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -161.782711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.782711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.782711 (E_RNA)
where:
Base-Base interactions energy: -67.917
where: short stacking energy: -53.168
Base-Backbone interact. energy: -0.627
local terms energy: -93.239124
where:
bonds (distance) C4'-P energy: -26.764
bonds (distance) P-C4' energy: -29.575
flat angles C4'-P-C4' energy: -18.511
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -7.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -156.977719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.977719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.977719 (E_RNA)
where:
Base-Base interactions energy: -65.667
where: short stacking energy: -65.501
Base-Backbone interact. energy: -0.487
local terms energy: -90.823625
where:
bonds (distance) C4'-P energy: -22.774
bonds (distance) P-C4' energy: -24.289
flat angles C4'-P-C4' energy: -19.799
flat angles P-C4'-P energy: -16.781
tors. eta vs tors. theta energy: -7.181
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: 6
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -544.540520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.540520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.540520 (E_RNA)
where:
Base-Base interactions energy: -376.015
where: short stacking energy: -156.088
Base-Backbone interact. energy: -0.140
local terms energy: -168.385561
where:
bonds (distance) C4'-P energy: -34.884
bonds (distance) P-C4' energy: -32.258
flat angles C4'-P-C4' energy: -33.842
flat angles P-C4'-P energy: -22.158
tors. eta vs tors. theta energy: -45.243
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: 2
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -528.355211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.355211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.355211 (E_RNA)
where:
Base-Base interactions energy: -352.200
where: short stacking energy: -152.105
Base-Backbone interact. energy: -0.574
local terms energy: -175.580815
where:
bonds (distance) C4'-P energy: -27.814
bonds (distance) P-C4' energy: -33.840
flat angles C4'-P-C4' energy: -36.064
flat angles P-C4'-P energy: -26.549
tors. eta vs tors. theta energy: -51.313
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: 3, replica: 10
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -481.326330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.326330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.326330 (E_RNA)
where:
Base-Base interactions energy: -311.282
where: short stacking energy: -139.202
Base-Backbone interact. energy: -1.480
local terms energy: -168.564674
where:
bonds (distance) C4'-P energy: -28.754
bonds (distance) P-C4' energy: -35.610
flat angles C4'-P-C4' energy: -34.157
flat angles P-C4'-P energy: -29.568
tors. eta vs tors. theta energy: -40.476
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: 3
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -489.911213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.911213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.911213 (E_RNA)
where:
Base-Base interactions energy: -333.887
where: short stacking energy: -151.928
Base-Backbone interact. energy: -0.934
local terms energy: -155.090401
where:
bonds (distance) C4'-P energy: -22.550
bonds (distance) P-C4' energy: -33.503
flat angles C4'-P-C4' energy: -32.938
flat angles P-C4'-P energy: -26.974
tors. eta vs tors. theta energy: -39.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -430.072935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.072935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.072935 (E_RNA)
where:
Base-Base interactions energy: -275.813
where: short stacking energy: -122.143
Base-Backbone interact. energy: 0.905
local terms energy: -155.164787
where:
bonds (distance) C4'-P energy: -27.403
bonds (distance) P-C4' energy: -34.253
flat angles C4'-P-C4' energy: -34.206
flat angles P-C4'-P energy: -22.548
tors. eta vs tors. theta energy: -36.756
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: 7
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -394.101307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.101307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.101307 (E_RNA)
where:
Base-Base interactions energy: -249.657
where: short stacking energy: -114.811
Base-Backbone interact. energy: -0.794
local terms energy: -143.650030
where:
bonds (distance) C4'-P energy: -26.051
bonds (distance) P-C4' energy: -30.204
flat angles C4'-P-C4' energy: -35.880
flat angles P-C4'-P energy: -21.536
tors. eta vs tors. theta energy: -29.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -322.010846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.010846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.010846 (E_RNA)
where:
Base-Base interactions energy: -182.567
where: short stacking energy: -90.579
Base-Backbone interact. energy: 0.734
local terms energy: -140.177969
where:
bonds (distance) C4'-P energy: -22.583
bonds (distance) P-C4' energy: -32.899
flat angles C4'-P-C4' energy: -29.488
flat angles P-C4'-P energy: -26.350
tors. eta vs tors. theta energy: -28.858
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: 4
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -183.309553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.309553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.309553 (E_RNA)
where:
Base-Base interactions energy: -77.207
where: short stacking energy: -43.255
Base-Backbone interact. energy: 0.294
local terms energy: -106.397002
where:
bonds (distance) C4'-P energy: -29.457
bonds (distance) P-C4' energy: -32.582
flat angles C4'-P-C4' energy: -31.604
flat angles P-C4'-P energy: -15.856
tors. eta vs tors. theta energy: 3.102
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: 9, replica: 5
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -164.407172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.407172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.407172 (E_RNA)
where:
Base-Base interactions energy: -62.483
where: short stacking energy: -60.311
Base-Backbone interact. energy: -0.357
local terms energy: -101.567181
where:
bonds (distance) C4'-P energy: -26.849
bonds (distance) P-C4' energy: -25.725
flat angles C4'-P-C4' energy: -25.022
flat angles P-C4'-P energy: -19.712
tors. eta vs tors. theta energy: -4.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -150.599307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.599307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.599307 (E_RNA)
where:
Base-Base interactions energy: -53.236
where: short stacking energy: -53.476
Base-Backbone interact. energy: -1.103
local terms energy: -96.260729
where:
bonds (distance) C4'-P energy: -26.346
bonds (distance) P-C4' energy: -27.078
flat angles C4'-P-C4' energy: -21.172
flat angles P-C4'-P energy: -17.778
tors. eta vs tors. theta energy: -3.886
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: 2
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -556.572390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.572390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.572390 (E_RNA)
where:
Base-Base interactions energy: -389.369
where: short stacking energy: -182.379
Base-Backbone interact. energy: -1.028
local terms energy: -166.175688
where:
bonds (distance) C4'-P energy: -26.871
bonds (distance) P-C4' energy: -32.199
flat angles C4'-P-C4' energy: -34.962
flat angles P-C4'-P energy: -23.101
tors. eta vs tors. theta energy: -49.043
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: 6
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -523.387937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.387937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.387937 (E_RNA)
where:
Base-Base interactions energy: -350.994
where: short stacking energy: -158.983
Base-Backbone interact. energy: -1.537
local terms energy: -170.856976
where:
bonds (distance) C4'-P energy: -26.827
bonds (distance) P-C4' energy: -28.717
flat angles C4'-P-C4' energy: -39.310
flat angles P-C4'-P energy: -29.145
tors. eta vs tors. theta energy: -46.858
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: 3, replica: 3
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -494.398847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.398847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.398847 (E_RNA)
where:
Base-Base interactions energy: -339.127
where: short stacking energy: -148.026
Base-Backbone interact. energy: -0.575
local terms energy: -154.697103
where:
bonds (distance) C4'-P energy: -29.035
bonds (distance) P-C4' energy: -33.693
flat angles C4'-P-C4' energy: -39.210
flat angles P-C4'-P energy: -15.674
tors. eta vs tors. theta energy: -37.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -479.232688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.232688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.232688 (E_RNA)
where:
Base-Base interactions energy: -319.468
where: short stacking energy: -141.738
Base-Backbone interact. energy: -1.933
local terms energy: -157.830772
where:
bonds (distance) C4'-P energy: -29.247
bonds (distance) P-C4' energy: -32.061
flat angles C4'-P-C4' energy: -35.506
flat angles P-C4'-P energy: -17.950
tors. eta vs tors. theta energy: -43.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -402.663831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.663831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.663831 (E_RNA)
where:
Base-Base interactions energy: -263.566
where: short stacking energy: -124.580
Base-Backbone interact. energy: -0.960
local terms energy: -138.137203
where:
bonds (distance) C4'-P energy: -27.820
bonds (distance) P-C4' energy: -27.718
flat angles C4'-P-C4' energy: -28.526
flat angles P-C4'-P energy: -22.839
tors. eta vs tors. theta energy: -31.234
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: 6, replica: 8
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -420.897260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.897260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.897260 (E_RNA)
where:
Base-Base interactions energy: -282.680
where: short stacking energy: -129.093
Base-Backbone interact. energy: -0.276
local terms energy: -137.941970
where:
bonds (distance) C4'-P energy: -28.977
bonds (distance) P-C4' energy: -28.804
flat angles C4'-P-C4' energy: -20.938
flat angles P-C4'-P energy: -20.931
tors. eta vs tors. theta energy: -38.292
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: 7, replica: 1
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -331.499714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.499714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.499714 (E_RNA)
where:
Base-Base interactions energy: -193.945
where: short stacking energy: -94.544
Base-Backbone interact. energy: -0.893
local terms energy: -136.661127
where:
bonds (distance) C4'-P energy: -34.797
bonds (distance) P-C4' energy: -30.333
flat angles C4'-P-C4' energy: -31.613
flat angles P-C4'-P energy: -22.885
tors. eta vs tors. theta energy: -17.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -190.043191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.043191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.043191 (E_RNA)
where:
Base-Base interactions energy: -82.407
where: short stacking energy: -63.143
Base-Backbone interact. energy: 1.566
local terms energy: -109.202758
where:
bonds (distance) C4'-P energy: -34.159
bonds (distance) P-C4' energy: -38.654
flat angles C4'-P-C4' energy: -20.795
flat angles P-C4'-P energy: -15.330
tors. eta vs tors. theta energy: -0.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -166.968703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.968703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.968703 (E_RNA)
where:
Base-Base interactions energy: -70.403
where: short stacking energy: -58.206
Base-Backbone interact. energy: 1.315
local terms energy: -97.880833
where:
bonds (distance) C4'-P energy: -32.443
bonds (distance) P-C4' energy: -27.462
flat angles C4'-P-C4' energy: -26.470
flat angles P-C4'-P energy: -6.244
tors. eta vs tors. theta energy: -5.263
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: 5
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -158.384516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.384516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.384516 (E_RNA)
where:
Base-Base interactions energy: -80.104
where: short stacking energy: -59.415
Base-Backbone interact. energy: 0.325
local terms energy: -78.605215
where:
bonds (distance) C4'-P energy: -20.590
bonds (distance) P-C4' energy: -12.698
flat angles C4'-P-C4' energy: -23.626
flat angles P-C4'-P energy: -16.291
tors. eta vs tors. theta energy: -5.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -540.617425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.617425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.617425 (E_RNA)
where:
Base-Base interactions energy: -369.110
where: short stacking energy: -168.479
Base-Backbone interact. energy: -0.790
local terms energy: -170.717998
where:
bonds (distance) C4'-P energy: -32.129
bonds (distance) P-C4' energy: -33.165
flat angles C4'-P-C4' energy: -34.550
flat angles P-C4'-P energy: -22.102
tors. eta vs tors. theta energy: -48.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -511.039954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.039954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.039954 (E_RNA)
where:
Base-Base interactions energy: -350.424
where: short stacking energy: -155.250
Base-Backbone interact. energy: -2.631
local terms energy: -157.984810
where:
bonds (distance) C4'-P energy: -33.534
bonds (distance) P-C4' energy: -29.774
flat angles C4'-P-C4' energy: -29.035
flat angles P-C4'-P energy: -21.936
tors. eta vs tors. theta energy: -43.705
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: 6
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -527.946815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.946815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.946815 (E_RNA)
where:
Base-Base interactions energy: -356.667
where: short stacking energy: -166.820
Base-Backbone interact. energy: -0.094
local terms energy: -171.185913
where:
bonds (distance) C4'-P energy: -22.910
bonds (distance) P-C4' energy: -29.032
flat angles C4'-P-C4' energy: -38.936
flat angles P-C4'-P energy: -30.139
tors. eta vs tors. theta energy: -50.169
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: 379
Temperature: 1.050000
Total energy: -435.919566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.919566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.919566 (E_RNA)
where:
Base-Base interactions energy: -271.923
where: short stacking energy: -133.817
Base-Backbone interact. energy: -0.629
local terms energy: -163.367542
where:
bonds (distance) C4'-P energy: -33.037
bonds (distance) P-C4' energy: -35.839
flat angles C4'-P-C4' energy: -34.756
flat angles P-C4'-P energy: -24.787
tors. eta vs tors. theta energy: -34.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -451.661474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.661474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.661474 (E_RNA)
where:
Base-Base interactions energy: -303.075
where: short stacking energy: -131.733
Base-Backbone interact. energy: -1.936
local terms energy: -146.649813
where:
bonds (distance) C4'-P energy: -29.391
bonds (distance) P-C4' energy: -37.763
flat angles C4'-P-C4' energy: -25.735
flat angles P-C4'-P energy: -23.215
tors. eta vs tors. theta energy: -30.545
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: 8
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -416.246028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.246028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.246028 (E_RNA)
where:
Base-Base interactions energy: -264.849
where: short stacking energy: -128.958
Base-Backbone interact. energy: -0.997
local terms energy: -150.400682
where:
bonds (distance) C4'-P energy: -33.726
bonds (distance) P-C4' energy: -28.867
flat angles C4'-P-C4' energy: -30.754
flat angles P-C4'-P energy: -20.850
tors. eta vs tors. theta energy: -36.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -328.626728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.626728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.626728 (E_RNA)
where:
Base-Base interactions energy: -203.560
where: short stacking energy: -111.695
Base-Backbone interact. energy: -0.397
local terms energy: -124.669967
where:
bonds (distance) C4'-P energy: -20.771
bonds (distance) P-C4' energy: -27.247
flat angles C4'-P-C4' energy: -24.441
flat angles P-C4'-P energy: -26.901
tors. eta vs tors. theta energy: -25.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -181.362458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.362458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.362458 (E_RNA)
where:
Base-Base interactions energy: -64.749
where: short stacking energy: -57.500
Base-Backbone interact. energy: -0.051
local terms energy: -116.561988
where:
bonds (distance) C4'-P energy: -29.474
bonds (distance) P-C4' energy: -27.854
flat angles C4'-P-C4' energy: -24.131
flat angles P-C4'-P energy: -19.587
tors. eta vs tors. theta energy: -15.517
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: 379
Temperature: 1.300000
Total energy: -160.359442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.359442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.359442 (E_RNA)
where:
Base-Base interactions energy: -57.393
where: short stacking energy: -30.897
Base-Backbone interact. energy: -0.453
local terms energy: -102.512948
where:
bonds (distance) C4'-P energy: -26.827
bonds (distance) P-C4' energy: -27.659
flat angles C4'-P-C4' energy: -30.248
flat angles P-C4'-P energy: -22.991
tors. eta vs tors. theta energy: 5.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -152.971617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.971617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.971617 (E_RNA)
where:
Base-Base interactions energy: -48.794
where: short stacking energy: -43.454
Base-Backbone interact. energy: 0.742
local terms energy: -104.919946
where:
bonds (distance) C4'-P energy: -30.628
bonds (distance) P-C4' energy: -32.401
flat angles C4'-P-C4' energy: -23.316
flat angles P-C4'-P energy: -17.145
tors. eta vs tors. theta energy: -1.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -525.514472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.514472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.514472 (E_RNA)
where:
Base-Base interactions energy: -353.348
where: short stacking energy: -160.590
Base-Backbone interact. energy: -1.110
local terms energy: -171.056331
where:
bonds (distance) C4'-P energy: -35.914
bonds (distance) P-C4' energy: -29.463
flat angles C4'-P-C4' energy: -33.558
flat angles P-C4'-P energy: -26.719
tors. eta vs tors. theta energy: -45.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -529.798755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.798755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.798755 (E_RNA)
where:
Base-Base interactions energy: -354.943
where: short stacking energy: -155.102
Base-Backbone interact. energy: -0.177
local terms energy: -174.678988
where:
bonds (distance) C4'-P energy: -34.975
bonds (distance) P-C4' energy: -34.058
flat angles C4'-P-C4' energy: -35.207
flat angles P-C4'-P energy: -25.404
tors. eta vs tors. theta energy: -45.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -523.211431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.211431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.211431 (E_RNA)
where:
Base-Base interactions energy: -357.983
where: short stacking energy: -147.360
Base-Backbone interact. energy: -0.180
local terms energy: -165.048345
where:
bonds (distance) C4'-P energy: -29.999
bonds (distance) P-C4' energy: -33.105
flat angles C4'-P-C4' energy: -32.767
flat angles P-C4'-P energy: -26.536
tors. eta vs tors. theta energy: -42.643
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: 7
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -431.298794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.298794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.298794 (E_RNA)
where:
Base-Base interactions energy: -291.708
where: short stacking energy: -131.862
Base-Backbone interact. energy: -0.471
local terms energy: -139.119826
where:
bonds (distance) C4'-P energy: -36.702
bonds (distance) P-C4' energy: -21.008
flat angles C4'-P-C4' energy: -26.808
flat angles P-C4'-P energy: -24.323
tors. eta vs tors. theta energy: -30.279
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: 5, replica: 8
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -393.423578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.423578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.423578 (E_RNA)
where:
Base-Base interactions energy: -253.662
where: short stacking energy: -116.077
Base-Backbone interact. energy: 1.053
local terms energy: -140.814907
where:
bonds (distance) C4'-P energy: -29.095
bonds (distance) P-C4' energy: -31.433
flat angles C4'-P-C4' energy: -31.083
flat angles P-C4'-P energy: -14.800
tors. eta vs tors. theta energy: -34.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -460.821621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.821621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.821621 (E_RNA)
where:
Base-Base interactions energy: -315.156
where: short stacking energy: -142.205
Base-Backbone interact. energy: -0.476
local terms energy: -145.189099
where:
bonds (distance) C4'-P energy: -22.525
bonds (distance) P-C4' energy: -32.541
flat angles C4'-P-C4' energy: -35.416
flat angles P-C4'-P energy: -22.187
tors. eta vs tors. theta energy: -32.520
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: 1
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -337.331601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.331601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.331601 (E_RNA)
where:
Base-Base interactions energy: -204.297
where: short stacking energy: -98.621
Base-Backbone interact. energy: -0.381
local terms energy: -132.653518
where:
bonds (distance) C4'-P energy: -23.840
bonds (distance) P-C4' energy: -34.362
flat angles C4'-P-C4' energy: -30.208
flat angles P-C4'-P energy: -21.222
tors. eta vs tors. theta energy: -23.022
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: 4
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -170.920108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.920108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.920108 (E_RNA)
where:
Base-Base interactions energy: -75.527
where: short stacking energy: -66.850
Base-Backbone interact. energy: -0.544
local terms energy: -94.849210
where:
bonds (distance) C4'-P energy: -28.065
bonds (distance) P-C4' energy: -32.239
flat angles C4'-P-C4' energy: -19.267
flat angles P-C4'-P energy: -13.308
tors. eta vs tors. theta energy: -1.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -174.376632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.376632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.376632 (E_RNA)
where:
Base-Base interactions energy: -77.821
where: short stacking energy: -43.018
Base-Backbone interact. energy: -0.348
local terms energy: -96.207082
where:
bonds (distance) C4'-P energy: -27.329
bonds (distance) P-C4' energy: -24.101
flat angles C4'-P-C4' energy: -26.218
flat angles P-C4'-P energy: -18.863
tors. eta vs tors. theta energy: 0.304
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: 380
Temperature: 1.350000
Total energy: -170.745392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.745392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.745392 (E_RNA)
where:
Base-Base interactions energy: -73.099
where: short stacking energy: -64.993
Base-Backbone interact. energy: 0.532
local terms energy: -98.178087
where:
bonds (distance) C4'-P energy: -24.704
bonds (distance) P-C4' energy: -22.006
flat angles C4'-P-C4' energy: -29.878
flat angles P-C4'-P energy: -12.151
tors. eta vs tors. theta energy: -9.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -501.830011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.830011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.830011 (E_RNA)
where:
Base-Base interactions energy: -335.571
where: short stacking energy: -152.831
Base-Backbone interact. energy: -2.901
local terms energy: -163.357210
where:
bonds (distance) C4'-P energy: -30.628
bonds (distance) P-C4' energy: -32.239
flat angles C4'-P-C4' energy: -35.819
flat angles P-C4'-P energy: -23.875
tors. eta vs tors. theta energy: -40.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -530.382354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.382354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.382354 (E_RNA)
where:
Base-Base interactions energy: -362.621
where: short stacking energy: -165.890
Base-Backbone interact. energy: -0.683
local terms energy: -167.077875
where:
bonds (distance) C4'-P energy: -31.929
bonds (distance) P-C4' energy: -31.354
flat angles C4'-P-C4' energy: -33.640
flat angles P-C4'-P energy: -22.268
tors. eta vs tors. theta energy: -47.888
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: 3, replica: 6
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -522.290722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.290722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.290722 (E_RNA)
where:
Base-Base interactions energy: -359.287
where: short stacking energy: -165.555
Base-Backbone interact. energy: -0.165
local terms energy: -162.838977
where:
bonds (distance) C4'-P energy: -24.956
bonds (distance) P-C4' energy: -32.253
flat angles C4'-P-C4' energy: -34.320
flat angles P-C4'-P energy: -26.249
tors. eta vs tors. theta energy: -45.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -440.287647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.287647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.287647 (E_RNA)
where:
Base-Base interactions energy: -281.400
where: short stacking energy: -141.328
Base-Backbone interact. energy: -0.242
local terms energy: -158.645675
where:
bonds (distance) C4'-P energy: -30.349
bonds (distance) P-C4' energy: -35.284
flat angles C4'-P-C4' energy: -29.487
flat angles P-C4'-P energy: -24.410
tors. eta vs tors. theta energy: -39.114
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: 8
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -424.777525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.777525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.777525 (E_RNA)
where:
Base-Base interactions energy: -281.618
where: short stacking energy: -135.819
Base-Backbone interact. energy: 0.353
local terms energy: -143.512451
where:
bonds (distance) C4'-P energy: -29.439
bonds (distance) P-C4' energy: -28.132
flat angles C4'-P-C4' energy: -34.228
flat angles P-C4'-P energy: -17.055
tors. eta vs tors. theta energy: -34.658
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: 10
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -454.439618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.439618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.439618 (E_RNA)
where:
Base-Base interactions energy: -305.038
where: short stacking energy: -126.815
Base-Backbone interact. energy: -0.096
local terms energy: -149.305164
where:
bonds (distance) C4'-P energy: -34.176
bonds (distance) P-C4' energy: -34.605
flat angles C4'-P-C4' energy: -29.107
flat angles P-C4'-P energy: -19.256
tors. eta vs tors. theta energy: -32.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -323.400512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.400512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.400512 (E_RNA)
where:
Base-Base interactions energy: -191.188
where: short stacking energy: -111.789
Base-Backbone interact. energy: -0.124
local terms energy: -132.088620
where:
bonds (distance) C4'-P energy: -22.095
bonds (distance) P-C4' energy: -33.756
flat angles C4'-P-C4' energy: -31.381
flat angles P-C4'-P energy: -19.456
tors. eta vs tors. theta energy: -25.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -196.535758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.535758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.535758 (E_RNA)
where:
Base-Base interactions energy: -85.816
where: short stacking energy: -69.545
Base-Backbone interact. energy: 7.744
local terms energy: -118.463659
where:
bonds (distance) C4'-P energy: -25.216
bonds (distance) P-C4' energy: -28.293
flat angles C4'-P-C4' energy: -33.838
flat angles P-C4'-P energy: -12.887
tors. eta vs tors. theta energy: -18.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -160.257976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.257976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.257976 (E_RNA)
where:
Base-Base interactions energy: -61.792
where: short stacking energy: -52.370
Base-Backbone interact. energy: -0.603
local terms energy: -97.862843
where:
bonds (distance) C4'-P energy: -28.778
bonds (distance) P-C4' energy: -32.256
flat angles C4'-P-C4' energy: -24.672
flat angles P-C4'-P energy: -13.854
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: 10, replica: 9
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -144.022323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.022323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.022323 (E_RNA)
where:
Base-Base interactions energy: -47.471
where: short stacking energy: -44.131
Base-Backbone interact. energy: 1.256
local terms energy: -97.807347
where:
bonds (distance) C4'-P energy: -30.102
bonds (distance) P-C4' energy: -27.114
flat angles C4'-P-C4' energy: -23.062
flat angles P-C4'-P energy: -18.686
tors. eta vs tors. theta energy: 1.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -530.620241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.620241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.620241 (E_RNA)
where:
Base-Base interactions energy: -360.519
where: short stacking energy: -152.700
Base-Backbone interact. energy: -0.486
local terms energy: -169.614595
where:
bonds (distance) C4'-P energy: -29.802
bonds (distance) P-C4' energy: -32.908
flat angles C4'-P-C4' energy: -36.044
flat angles P-C4'-P energy: -24.353
tors. eta vs tors. theta energy: -46.508
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: 382
Temperature: 0.950000
Total energy: -491.855286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.855286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.855286 (E_RNA)
where:
Base-Base interactions energy: -346.554
where: short stacking energy: -157.628
Base-Backbone interact. energy: -2.974
local terms energy: -142.326889
where:
bonds (distance) C4'-P energy: -29.946
bonds (distance) P-C4' energy: -23.745
flat angles C4'-P-C4' energy: -31.233
flat angles P-C4'-P energy: -20.286
tors. eta vs tors. theta energy: -37.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -508.764532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.764532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.764532 (E_RNA)
where:
Base-Base interactions energy: -347.183
where: short stacking energy: -154.306
Base-Backbone interact. energy: -0.353
local terms energy: -161.228837
where:
bonds (distance) C4'-P energy: -29.939
bonds (distance) P-C4' energy: -33.529
flat angles C4'-P-C4' energy: -29.225
flat angles P-C4'-P energy: -25.109
tors. eta vs tors. theta energy: -43.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -428.411355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.411355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.411355 (E_RNA)
where:
Base-Base interactions energy: -282.459
where: short stacking energy: -144.455
Base-Backbone interact. energy: 0.515
local terms energy: -146.467666
where:
bonds (distance) C4'-P energy: -30.947
bonds (distance) P-C4' energy: -27.717
flat angles C4'-P-C4' energy: -35.659
flat angles P-C4'-P energy: -17.369
tors. eta vs tors. theta energy: -34.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -452.866557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.866557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.866557 (E_RNA)
where:
Base-Base interactions energy: -312.752
where: short stacking energy: -122.977
Base-Backbone interact. energy: -1.282
local terms energy: -138.833128
where:
bonds (distance) C4'-P energy: -27.096
bonds (distance) P-C4' energy: -32.424
flat angles C4'-P-C4' energy: -31.811
flat angles P-C4'-P energy: -18.499
tors. eta vs tors. theta energy: -29.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -402.531895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.531895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.531895 (E_RNA)
where:
Base-Base interactions energy: -252.354
where: short stacking energy: -124.039
Base-Backbone interact. energy: -0.789
local terms energy: -149.388601
where:
bonds (distance) C4'-P energy: -30.019
bonds (distance) P-C4' energy: -33.313
flat angles C4'-P-C4' energy: -31.500
flat angles P-C4'-P energy: -25.052
tors. eta vs tors. theta energy: -29.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -324.179177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.179177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.179177 (E_RNA)
where:
Base-Base interactions energy: -190.581
where: short stacking energy: -99.241
Base-Backbone interact. energy: -0.045
local terms energy: -133.552758
where:
bonds (distance) C4'-P energy: -34.717
bonds (distance) P-C4' energy: -28.135
flat angles C4'-P-C4' energy: -29.428
flat angles P-C4'-P energy: -19.508
tors. eta vs tors. theta energy: -21.764
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: 5
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -214.361740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.361740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.361740 (E_RNA)
where:
Base-Base interactions energy: -108.839
where: short stacking energy: -60.356
Base-Backbone interact. energy: 0.588
local terms energy: -106.111459
where:
bonds (distance) C4'-P energy: -27.453
bonds (distance) P-C4' energy: -29.549
flat angles C4'-P-C4' energy: -28.732
flat angles P-C4'-P energy: -22.320
tors. eta vs tors. theta energy: 1.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -139.333720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.333720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.333720 (E_RNA)
where:
Base-Base interactions energy: -57.198
where: short stacking energy: -45.446
Base-Backbone interact. energy: -0.418
local terms energy: -81.718219
where:
bonds (distance) C4'-P energy: -26.396
bonds (distance) P-C4' energy: -26.272
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -20.668
tors. eta vs tors. theta energy: 8.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -168.416930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.416930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.416930 (E_RNA)
where:
Base-Base interactions energy: -74.876
where: short stacking energy: -56.668
Base-Backbone interact. energy: 0.848
local terms energy: -94.388885
where:
bonds (distance) C4'-P energy: -27.996
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -26.869
flat angles P-C4'-P energy: -18.357
tors. eta vs tors. theta energy: -2.581
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: 1, replica: 2
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -546.522378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.522378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.522378 (E_RNA)
where:
Base-Base interactions energy: -374.366
where: short stacking energy: -173.890
Base-Backbone interact. energy: -0.092
local terms energy: -172.064569
where:
bonds (distance) C4'-P energy: -30.917
bonds (distance) P-C4' energy: -32.117
flat angles C4'-P-C4' energy: -37.179
flat angles P-C4'-P energy: -19.772
tors. eta vs tors. theta energy: -52.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -528.454400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.454400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.454400 (E_RNA)
where:
Base-Base interactions energy: -363.413
where: short stacking energy: -163.478
Base-Backbone interact. energy: -0.587
local terms energy: -164.455256
where:
bonds (distance) C4'-P energy: -29.306
bonds (distance) P-C4' energy: -28.078
flat angles C4'-P-C4' energy: -36.032
flat angles P-C4'-P energy: -26.411
tors. eta vs tors. theta energy: -44.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -504.194429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.194429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.194429 (E_RNA)
where:
Base-Base interactions energy: -347.701
where: short stacking energy: -145.948
Base-Backbone interact. energy: 0.973
local terms energy: -157.466924
where:
bonds (distance) C4'-P energy: -27.859
bonds (distance) P-C4' energy: -28.964
flat angles C4'-P-C4' energy: -31.838
flat angles P-C4'-P energy: -27.435
tors. eta vs tors. theta energy: -41.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -472.831398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.831398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.831398 (E_RNA)
where:
Base-Base interactions energy: -317.617
where: short stacking energy: -141.130
Base-Backbone interact. energy: -1.433
local terms energy: -153.781181
where:
bonds (distance) C4'-P energy: -32.034
bonds (distance) P-C4' energy: -30.114
flat angles C4'-P-C4' energy: -31.304
flat angles P-C4'-P energy: -21.362
tors. eta vs tors. theta energy: -38.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -419.187253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.187253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.187253 (E_RNA)
where:
Base-Base interactions energy: -269.135
where: short stacking energy: -132.228
Base-Backbone interact. energy: -0.808
local terms energy: -149.243581
where:
bonds (distance) C4'-P energy: -28.266
bonds (distance) P-C4' energy: -27.117
flat angles C4'-P-C4' energy: -32.477
flat angles P-C4'-P energy: -23.159
tors. eta vs tors. theta energy: -38.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -393.834679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.834679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.834679 (E_RNA)
where:
Base-Base interactions energy: -251.349
where: short stacking energy: -118.888
Base-Backbone interact. energy: -1.253
local terms energy: -141.231774
where:
bonds (distance) C4'-P energy: -30.478
bonds (distance) P-C4' energy: -28.257
flat angles C4'-P-C4' energy: -28.989
flat angles P-C4'-P energy: -23.629
tors. eta vs tors. theta energy: -29.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -335.305910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.305910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.305910 (E_RNA)
where:
Base-Base interactions energy: -207.991
where: short stacking energy: -99.232
Base-Backbone interact. energy: -0.357
local terms energy: -126.958250
where:
bonds (distance) C4'-P energy: -30.565
bonds (distance) P-C4' energy: -30.734
flat angles C4'-P-C4' energy: -23.050
flat angles P-C4'-P energy: -22.666
tors. eta vs tors. theta energy: -19.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -229.773981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.773981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.773981 (E_RNA)
where:
Base-Base interactions energy: -122.522
where: short stacking energy: -81.733
Base-Backbone interact. energy: -0.486
local terms energy: -106.766101
where:
bonds (distance) C4'-P energy: -29.121
bonds (distance) P-C4' energy: -27.224
flat angles C4'-P-C4' energy: -23.189
flat angles P-C4'-P energy: -15.017
tors. eta vs tors. theta energy: -12.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -181.470778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.470778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.470778 (E_RNA)
where:
Base-Base interactions energy: -89.700
where: short stacking energy: -61.300
Base-Backbone interact. energy: -0.197
local terms energy: -91.573193
where:
bonds (distance) C4'-P energy: -25.691
bonds (distance) P-C4' energy: -24.683
flat angles C4'-P-C4' energy: -24.425
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -4.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -152.717962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.717962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.717962 (E_RNA)
where:
Base-Base interactions energy: -58.231
where: short stacking energy: -30.729
Base-Backbone interact. energy: -1.403
local terms energy: -93.083391
where:
bonds (distance) C4'-P energy: -30.454
bonds (distance) P-C4' energy: -33.738
flat angles C4'-P-C4' energy: -19.643
flat angles P-C4'-P energy: -16.109
tors. eta vs tors. theta energy: 6.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -537.864834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.864834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.864834 (E_RNA)
where:
Base-Base interactions energy: -362.348
where: short stacking energy: -163.055
Base-Backbone interact. energy: -0.845
local terms energy: -174.671570
where:
bonds (distance) C4'-P energy: -30.468
bonds (distance) P-C4' energy: -35.003
flat angles C4'-P-C4' energy: -36.497
flat angles P-C4'-P energy: -24.533
tors. eta vs tors. theta energy: -48.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -526.673218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.673218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.673218 (E_RNA)
where:
Base-Base interactions energy: -350.407
where: short stacking energy: -166.317
Base-Backbone interact. energy: -0.744
local terms energy: -175.521797
where:
bonds (distance) C4'-P energy: -29.151
bonds (distance) P-C4' energy: -33.383
flat angles C4'-P-C4' energy: -33.984
flat angles P-C4'-P energy: -30.248
tors. eta vs tors. theta energy: -48.757
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: 3
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -486.259166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.259166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.259166 (E_RNA)
where:
Base-Base interactions energy: -321.535
where: short stacking energy: -152.850
Base-Backbone interact. energy: -0.666
local terms energy: -164.058222
where:
bonds (distance) C4'-P energy: -29.331
bonds (distance) P-C4' energy: -31.497
flat angles C4'-P-C4' energy: -35.474
flat angles P-C4'-P energy: -23.916
tors. eta vs tors. theta energy: -43.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -486.347146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.347146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.347146 (E_RNA)
where:
Base-Base interactions energy: -333.933
where: short stacking energy: -160.059
Base-Backbone interact. energy: -0.101
local terms energy: -152.313326
where:
bonds (distance) C4'-P energy: -30.773
bonds (distance) P-C4' energy: -26.504
flat angles C4'-P-C4' energy: -37.083
flat angles P-C4'-P energy: -17.836
tors. eta vs tors. theta energy: -40.117
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: 7
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -426.451610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.451610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.451610 (E_RNA)
where:
Base-Base interactions energy: -279.861
where: short stacking energy: -138.258
Base-Backbone interact. energy: -0.026
local terms energy: -146.563710
where:
bonds (distance) C4'-P energy: -24.132
bonds (distance) P-C4' energy: -31.549
flat angles C4'-P-C4' energy: -30.372
flat angles P-C4'-P energy: -23.856
tors. eta vs tors. theta energy: -36.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -377.031474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.031474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.031474 (E_RNA)
where:
Base-Base interactions energy: -246.980
where: short stacking energy: -119.694
Base-Backbone interact. energy: -0.481
local terms energy: -129.570580
where:
bonds (distance) C4'-P energy: -29.729
bonds (distance) P-C4' energy: -34.143
flat angles C4'-P-C4' energy: -22.231
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -32.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -354.246440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.246440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.246440 (E_RNA)
where:
Base-Base interactions energy: -219.695
where: short stacking energy: -102.255
Base-Backbone interact. energy: -0.487
local terms energy: -134.064919
where:
bonds (distance) C4'-P energy: -29.622
bonds (distance) P-C4' energy: -33.695
flat angles C4'-P-C4' energy: -30.807
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -29.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -252.156753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.156753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.156753 (E_RNA)
where:
Base-Base interactions energy: -144.041
where: short stacking energy: -93.530
Base-Backbone interact. energy: 1.092
local terms energy: -109.208155
where:
bonds (distance) C4'-P energy: -31.658
bonds (distance) P-C4' energy: -26.577
flat angles C4'-P-C4' energy: -29.557
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -10.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -196.105349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.105349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.105349 (E_RNA)
where:
Base-Base interactions energy: -94.799
where: short stacking energy: -57.701
Base-Backbone interact. energy: -0.375
local terms energy: -100.930791
where:
bonds (distance) C4'-P energy: -20.909
bonds (distance) P-C4' energy: -28.859
flat angles C4'-P-C4' energy: -28.958
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -12.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -162.621753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.621753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.621753 (E_RNA)
where:
Base-Base interactions energy: -63.718
where: short stacking energy: -62.248
Base-Backbone interact. energy: 0.469
local terms energy: -99.371999
where:
bonds (distance) C4'-P energy: -23.516
bonds (distance) P-C4' energy: -32.941
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -14.617
tors. eta vs tors. theta energy: -11.057
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: 1, replica: 2
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -554.425372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.425372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.425372 (E_RNA)
where:
Base-Base interactions energy: -367.312
where: short stacking energy: -163.650
Base-Backbone interact. energy: -0.624
local terms energy: -186.490031
where:
bonds (distance) C4'-P energy: -33.503
bonds (distance) P-C4' energy: -32.920
flat angles C4'-P-C4' energy: -36.732
flat angles P-C4'-P energy: -29.195
tors. eta vs tors. theta energy: -54.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -524.082839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.082839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.082839 (E_RNA)
where:
Base-Base interactions energy: -354.890
where: short stacking energy: -171.775
Base-Backbone interact. energy: -0.937
local terms energy: -168.255271
where:
bonds (distance) C4'-P energy: -28.702
bonds (distance) P-C4' energy: -29.443
flat angles C4'-P-C4' energy: -36.389
flat angles P-C4'-P energy: -26.156
tors. eta vs tors. theta energy: -47.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -500.722311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.722311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.722311 (E_RNA)
where:
Base-Base interactions energy: -336.715
where: short stacking energy: -146.016
Base-Backbone interact. energy: 0.081
local terms energy: -164.088556
where:
bonds (distance) C4'-P energy: -30.559
bonds (distance) P-C4' energy: -35.091
flat angles C4'-P-C4' energy: -35.039
flat angles P-C4'-P energy: -26.685
tors. eta vs tors. theta energy: -36.715
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: 10
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -472.128376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.128376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.128376 (E_RNA)
where:
Base-Base interactions energy: -299.430
where: short stacking energy: -139.693
Base-Backbone interact. energy: -1.235
local terms energy: -171.463631
where:
bonds (distance) C4'-P energy: -36.461
bonds (distance) P-C4' energy: -29.530
flat angles C4'-P-C4' energy: -35.462
flat angles P-C4'-P energy: -22.952
tors. eta vs tors. theta energy: -47.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -423.351152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.351152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.351152 (E_RNA)
where:
Base-Base interactions energy: -265.266
where: short stacking energy: -134.865
Base-Backbone interact. energy: -0.576
local terms energy: -157.509195
where:
bonds (distance) C4'-P energy: -25.784
bonds (distance) P-C4' energy: -31.834
flat angles C4'-P-C4' energy: -37.742
flat angles P-C4'-P energy: -23.504
tors. eta vs tors. theta energy: -38.647
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: 6, replica: 8
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -382.923610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.923610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.923610 (E_RNA)
where:
Base-Base interactions energy: -255.836
where: short stacking energy: -109.765
Base-Backbone interact. energy: -1.594
local terms energy: -125.493642
where:
bonds (distance) C4'-P energy: -21.293
bonds (distance) P-C4' energy: -34.286
flat angles C4'-P-C4' energy: -30.352
flat angles P-C4'-P energy: -22.908
tors. eta vs tors. theta energy: -16.656
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: 1
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -365.337936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.337936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.337936 (E_RNA)
where:
Base-Base interactions energy: -223.280
where: short stacking energy: -102.648
Base-Backbone interact. energy: -0.035
local terms energy: -142.023061
where:
bonds (distance) C4'-P energy: -27.279
bonds (distance) P-C4' energy: -33.363
flat angles C4'-P-C4' energy: -31.798
flat angles P-C4'-P energy: -22.512
tors. eta vs tors. theta energy: -27.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -283.460729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.460729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.460729 (E_RNA)
where:
Base-Base interactions energy: -153.885
where: short stacking energy: -89.675
Base-Backbone interact. energy: 1.084
local terms energy: -130.659425
where:
bonds (distance) C4'-P energy: -27.560
bonds (distance) P-C4' energy: -36.086
flat angles C4'-P-C4' energy: -32.801
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -22.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -152.733463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.733463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.733463 (E_RNA)
where:
Base-Base interactions energy: -55.370
where: short stacking energy: -48.870
Base-Backbone interact. energy: 0.150
local terms energy: -97.512776
where:
bonds (distance) C4'-P energy: -30.180
bonds (distance) P-C4' energy: -21.474
flat angles C4'-P-C4' energy: -28.039
flat angles P-C4'-P energy: -19.781
tors. eta vs tors. theta energy: 1.961
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: 4
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -154.507037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.507037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.507037 (E_RNA)
where:
Base-Base interactions energy: -55.494
where: short stacking energy: -52.237
Base-Backbone interact. energy: -0.661
local terms energy: -98.352650
where:
bonds (distance) C4'-P energy: -24.082
bonds (distance) P-C4' energy: -29.232
flat angles C4'-P-C4' energy: -20.373
flat angles P-C4'-P energy: -21.980
tors. eta vs tors. theta energy: -2.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -541.817808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.817808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.817808 (E_RNA)
where:
Base-Base interactions energy: -374.272
where: short stacking energy: -166.641
Base-Backbone interact. energy: 0.172
local terms energy: -167.718023
where:
bonds (distance) C4'-P energy: -26.111
bonds (distance) P-C4' energy: -36.616
flat angles C4'-P-C4' energy: -36.108
flat angles P-C4'-P energy: -25.590
tors. eta vs tors. theta energy: -43.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -530.616951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.616951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.616951 (E_RNA)
where:
Base-Base interactions energy: -364.754
where: short stacking energy: -166.399
Base-Backbone interact. energy: -0.002
local terms energy: -165.861085
where:
bonds (distance) C4'-P energy: -30.585
bonds (distance) P-C4' energy: -23.312
flat angles C4'-P-C4' energy: -36.678
flat angles P-C4'-P energy: -26.408
tors. eta vs tors. theta energy: -48.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -508.684986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.684986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.684986 (E_RNA)
where:
Base-Base interactions energy: -337.657
where: short stacking energy: -151.952
Base-Backbone interact. energy: -0.889
local terms energy: -170.139566
where:
bonds (distance) C4'-P energy: -35.719
bonds (distance) P-C4' energy: -33.443
flat angles C4'-P-C4' energy: -35.348
flat angles P-C4'-P energy: -18.568
tors. eta vs tors. theta energy: -47.061
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: 3
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -462.893181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.893181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.893181 (E_RNA)
where:
Base-Base interactions energy: -314.711
where: short stacking energy: -139.249
Base-Backbone interact. energy: -1.877
local terms energy: -146.305205
where:
bonds (distance) C4'-P energy: -27.637
bonds (distance) P-C4' energy: -29.894
flat angles C4'-P-C4' energy: -35.872
flat angles P-C4'-P energy: -17.065
tors. eta vs tors. theta energy: -35.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -437.332196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.332196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.332196 (E_RNA)
where:
Base-Base interactions energy: -280.389
where: short stacking energy: -132.637
Base-Backbone interact. energy: -0.827
local terms energy: -156.115754
where:
bonds (distance) C4'-P energy: -30.007
bonds (distance) P-C4' energy: -32.368
flat angles C4'-P-C4' energy: -33.878
flat angles P-C4'-P energy: -18.695
tors. eta vs tors. theta energy: -41.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -403.471134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.471134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.471134 (E_RNA)
where:
Base-Base interactions energy: -266.981
where: short stacking energy: -123.302
Base-Backbone interact. energy: -1.096
local terms energy: -135.393377
where:
bonds (distance) C4'-P energy: -22.989
bonds (distance) P-C4' energy: -36.415
flat angles C4'-P-C4' energy: -29.191
flat angles P-C4'-P energy: -17.475
tors. eta vs tors. theta energy: -29.322
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: 1
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -341.976456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.976456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.976456 (E_RNA)
where:
Base-Base interactions energy: -211.827
where: short stacking energy: -97.833
Base-Backbone interact. energy: -1.177
local terms energy: -128.972578
where:
bonds (distance) C4'-P energy: -33.223
bonds (distance) P-C4' energy: -23.528
flat angles C4'-P-C4' energy: -23.677
flat angles P-C4'-P energy: -20.275
tors. eta vs tors. theta energy: -28.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -251.278325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.278325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.278325 (E_RNA)
where:
Base-Base interactions energy: -133.718
where: short stacking energy: -83.778
Base-Backbone interact. energy: -0.108
local terms energy: -117.452506
where:
bonds (distance) C4'-P energy: -30.384
bonds (distance) P-C4' energy: -26.901
flat angles C4'-P-C4' energy: -24.136
flat angles P-C4'-P energy: -24.030
tors. eta vs tors. theta energy: -12.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -166.983086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.983086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.983086 (E_RNA)
where:
Base-Base interactions energy: -73.283
where: short stacking energy: -66.963
Base-Backbone interact. energy: -0.626
local terms energy: -93.074200
where:
bonds (distance) C4'-P energy: -21.210
bonds (distance) P-C4' energy: -20.918
flat angles C4'-P-C4' energy: -30.891
flat angles P-C4'-P energy: -13.549
tors. eta vs tors. theta energy: -6.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -151.257987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.257987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.257987 (E_RNA)
where:
Base-Base interactions energy: -55.252
where: short stacking energy: -50.048
Base-Backbone interact. energy: 2.922
local terms energy: -98.927860
where:
bonds (distance) C4'-P energy: -31.527
bonds (distance) P-C4' energy: -23.409
flat angles C4'-P-C4' energy: -27.073
flat angles P-C4'-P energy: -15.011
tors. eta vs tors. theta energy: -1.907
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: 1, replica: 6
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -552.956076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.956076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.956076 (E_RNA)
where:
Base-Base interactions energy: -380.708
where: short stacking energy: -174.843
Base-Backbone interact. energy: -0.830
local terms energy: -171.418457
where:
bonds (distance) C4'-P energy: -31.020
bonds (distance) P-C4' energy: -30.622
flat angles C4'-P-C4' energy: -36.650
flat angles P-C4'-P energy: -23.016
tors. eta vs tors. theta energy: -50.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -537.118839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.118839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.118839 (E_RNA)
where:
Base-Base interactions energy: -362.329
where: short stacking energy: -165.586
Base-Backbone interact. energy: -0.707
local terms energy: -174.083116
where:
bonds (distance) C4'-P energy: -31.916
bonds (distance) P-C4' energy: -35.601
flat angles C4'-P-C4' energy: -33.780
flat angles P-C4'-P energy: -20.239
tors. eta vs tors. theta energy: -52.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -505.079360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.079360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.079360 (E_RNA)
where:
Base-Base interactions energy: -343.524
where: short stacking energy: -149.086
Base-Backbone interact. energy: -0.970
local terms energy: -160.584884
where:
bonds (distance) C4'-P energy: -35.920
bonds (distance) P-C4' energy: -34.116
flat angles C4'-P-C4' energy: -30.915
flat angles P-C4'-P energy: -18.832
tors. eta vs tors. theta energy: -40.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -468.640936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.640936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.640936 (E_RNA)
where:
Base-Base interactions energy: -312.418
where: short stacking energy: -136.413
Base-Backbone interact. energy: 1.093
local terms energy: -157.316424
where:
bonds (distance) C4'-P energy: -32.843
bonds (distance) P-C4' energy: -33.320
flat angles C4'-P-C4' energy: -34.250
flat angles P-C4'-P energy: -19.058
tors. eta vs tors. theta energy: -37.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -431.680693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.680693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.680693 (E_RNA)
where:
Base-Base interactions energy: -283.723
where: short stacking energy: -127.494
Base-Backbone interact. energy: -0.766
local terms energy: -147.192105
where:
bonds (distance) C4'-P energy: -23.608
bonds (distance) P-C4' energy: -33.987
flat angles C4'-P-C4' energy: -30.623
flat angles P-C4'-P energy: -20.025
tors. eta vs tors. theta energy: -38.949
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: 6, replica: 7
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -390.172601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.172601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.172601 (E_RNA)
where:
Base-Base interactions energy: -259.548
where: short stacking energy: -111.500
Base-Backbone interact. energy: -1.702
local terms energy: -128.922948
where:
bonds (distance) C4'-P energy: -31.113
bonds (distance) P-C4' energy: -22.054
flat angles C4'-P-C4' energy: -29.151
flat angles P-C4'-P energy: -15.749
tors. eta vs tors. theta energy: -30.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -328.471123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.471123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.471123 (E_RNA)
where:
Base-Base interactions energy: -211.606
where: short stacking energy: -95.328
Base-Backbone interact. energy: -1.170
local terms energy: -115.694947
where:
bonds (distance) C4'-P energy: -29.341
bonds (distance) P-C4' energy: -26.142
flat angles C4'-P-C4' energy: -30.393
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -21.751
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: 8, replica: 9
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -171.114252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.114252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.114252 (E_RNA)
where:
Base-Base interactions energy: -70.155
where: short stacking energy: -57.681
Base-Backbone interact. energy: -0.058
local terms energy: -100.901479
where:
bonds (distance) C4'-P energy: -35.567
bonds (distance) P-C4' energy: -28.955
flat angles C4'-P-C4' energy: -24.099
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -4.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -242.236309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.236309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.236309 (E_RNA)
where:
Base-Base interactions energy: -137.614
where: short stacking energy: -70.451
Base-Backbone interact. energy: -0.674
local terms energy: -103.948528
where:
bonds (distance) C4'-P energy: -26.721
bonds (distance) P-C4' energy: -26.133
flat angles C4'-P-C4' energy: -28.334
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -10.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -153.640342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.640342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.640342 (E_RNA)
where:
Base-Base interactions energy: -59.646
where: short stacking energy: -54.453
Base-Backbone interact. energy: 0.820
local terms energy: -94.814139
where:
bonds (distance) C4'-P energy: -27.171
bonds (distance) P-C4' energy: -32.553
flat angles C4'-P-C4' energy: -22.086
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -4.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -549.888622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.888622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.888622 (E_RNA)
where:
Base-Base interactions energy: -376.042
where: short stacking energy: -176.885
Base-Backbone interact. energy: -0.096
local terms energy: -173.750347
where:
bonds (distance) C4'-P energy: -31.232
bonds (distance) P-C4' energy: -29.025
flat angles C4'-P-C4' energy: -37.517
flat angles P-C4'-P energy: -26.089
tors. eta vs tors. theta energy: -49.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -525.568072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.568072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.568072 (E_RNA)
where:
Base-Base interactions energy: -355.554
where: short stacking energy: -145.818
Base-Backbone interact. energy: -0.448
local terms energy: -169.565482
where:
bonds (distance) C4'-P energy: -33.478
bonds (distance) P-C4' energy: -36.568
flat angles C4'-P-C4' energy: -32.313
flat angles P-C4'-P energy: -19.809
tors. eta vs tors. theta energy: -47.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -490.855390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.855390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.855390 (E_RNA)
where:
Base-Base interactions energy: -332.647
where: short stacking energy: -151.523
Base-Backbone interact. energy: -0.357
local terms energy: -157.851148
where:
bonds (distance) C4'-P energy: -33.575
bonds (distance) P-C4' energy: -31.463
flat angles C4'-P-C4' energy: -30.770
flat angles P-C4'-P energy: -24.626
tors. eta vs tors. theta energy: -37.417
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: 10
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -497.304811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.304811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.304811 (E_RNA)
where:
Base-Base interactions energy: -334.197
where: short stacking energy: -165.481
Base-Backbone interact. energy: -1.959
local terms energy: -161.148033
where:
bonds (distance) C4'-P energy: -32.346
bonds (distance) P-C4' energy: -27.966
flat angles C4'-P-C4' energy: -29.217
flat angles P-C4'-P energy: -27.075
tors. eta vs tors. theta energy: -44.543
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: 388
Temperature: 1.100000
Total energy: -429.588653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.588653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.588653 (E_RNA)
where:
Base-Base interactions energy: -279.482
where: short stacking energy: -132.686
Base-Backbone interact. energy: -0.153
local terms energy: -149.953214
where:
bonds (distance) C4'-P energy: -21.674
bonds (distance) P-C4' energy: -34.332
flat angles C4'-P-C4' energy: -33.003
flat angles P-C4'-P energy: -18.939
tors. eta vs tors. theta energy: -42.004
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: 6, replica: 7
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -408.091546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.091546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.091546 (E_RNA)
where:
Base-Base interactions energy: -262.022
where: short stacking energy: -123.606
Base-Backbone interact. energy: -0.916
local terms energy: -145.153184
where:
bonds (distance) C4'-P energy: -32.089
bonds (distance) P-C4' energy: -32.332
flat angles C4'-P-C4' energy: -26.027
flat angles P-C4'-P energy: -19.795
tors. eta vs tors. theta energy: -34.909
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: 7, replica: 1
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -360.402288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.402288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.402288 (E_RNA)
where:
Base-Base interactions energy: -239.674
where: short stacking energy: -108.296
Base-Backbone interact. energy: 0.203
local terms energy: -120.931625
where:
bonds (distance) C4'-P energy: -22.774
bonds (distance) P-C4' energy: -32.513
flat angles C4'-P-C4' energy: -30.782
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -26.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -181.704814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.704814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.704814 (E_RNA)
where:
Base-Base interactions energy: -85.820
where: short stacking energy: -66.664
Base-Backbone interact. energy: 1.424
local terms energy: -97.308843
where:
bonds (distance) C4'-P energy: -23.277
bonds (distance) P-C4' energy: -27.501
flat angles C4'-P-C4' energy: -21.514
flat angles P-C4'-P energy: -16.743
tors. eta vs tors. theta energy: -8.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -225.562112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.562112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.562112 (E_RNA)
where:
Base-Base interactions energy: -127.030
where: short stacking energy: -60.820
Base-Backbone interact. energy: -0.590
local terms energy: -97.942639
where:
bonds (distance) C4'-P energy: -27.998
bonds (distance) P-C4' energy: -30.683
flat angles C4'-P-C4' energy: -26.442
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -2.597
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: 10, replica: 4
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -166.696756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.696756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.696756 (E_RNA)
where:
Base-Base interactions energy: -59.639
where: short stacking energy: -45.675
Base-Backbone interact. energy: 0.327
local terms energy: -107.385180
where:
bonds (distance) C4'-P energy: -27.838
bonds (distance) P-C4' energy: -34.921
flat angles C4'-P-C4' energy: -27.418
flat angles P-C4'-P energy: -15.580
tors. eta vs tors. theta energy: -1.628
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: 1, replica: 6
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -533.671596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.671596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.671596 (E_RNA)
where:
Base-Base interactions energy: -357.579
where: short stacking energy: -155.512
Base-Backbone interact. energy: -0.715
local terms energy: -175.377019
where:
bonds (distance) C4'-P energy: -28.492
bonds (distance) P-C4' energy: -34.020
flat angles C4'-P-C4' energy: -36.109
flat angles P-C4'-P energy: -28.020
tors. eta vs tors. theta energy: -48.737
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: 2
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -524.196648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.196648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.196648 (E_RNA)
where:
Base-Base interactions energy: -357.185
where: short stacking energy: -162.384
Base-Backbone interact. energy: -0.331
local terms energy: -166.680416
where:
bonds (distance) C4'-P energy: -31.801
bonds (distance) P-C4' energy: -27.330
flat angles C4'-P-C4' energy: -36.316
flat angles P-C4'-P energy: -23.538
tors. eta vs tors. theta energy: -47.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -487.018185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.018185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.018185 (E_RNA)
where:
Base-Base interactions energy: -330.094
where: short stacking energy: -144.605
Base-Backbone interact. energy: -2.022
local terms energy: -154.901933
where:
bonds (distance) C4'-P energy: -28.112
bonds (distance) P-C4' energy: -27.875
flat angles C4'-P-C4' energy: -37.520
flat angles P-C4'-P energy: -24.202
tors. eta vs tors. theta energy: -37.193
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: 10
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -488.267242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.267242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.267242 (E_RNA)
where:
Base-Base interactions energy: -330.920
where: short stacking energy: -157.194
Base-Backbone interact. energy: -1.342
local terms energy: -156.006106
where:
bonds (distance) C4'-P energy: -30.315
bonds (distance) P-C4' energy: -29.486
flat angles C4'-P-C4' energy: -31.863
flat angles P-C4'-P energy: -21.042
tors. eta vs tors. theta energy: -43.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -415.993129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.993129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.993129 (E_RNA)
where:
Base-Base interactions energy: -280.578
where: short stacking energy: -138.335
Base-Backbone interact. energy: 0.765
local terms energy: -136.180148
where:
bonds (distance) C4'-P energy: -24.530
bonds (distance) P-C4' energy: -32.102
flat angles C4'-P-C4' energy: -25.996
flat angles P-C4'-P energy: -20.257
tors. eta vs tors. theta energy: -33.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -377.387427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.387427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.387427 (E_RNA)
where:
Base-Base interactions energy: -239.847
where: short stacking energy: -125.252
Base-Backbone interact. energy: 0.130
local terms energy: -137.670401
where:
bonds (distance) C4'-P energy: -27.216
bonds (distance) P-C4' energy: -28.880
flat angles C4'-P-C4' energy: -32.920
flat angles P-C4'-P energy: -16.414
tors. eta vs tors. theta energy: -32.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -427.564035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.564035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.564035 (E_RNA)
where:
Base-Base interactions energy: -282.054
where: short stacking energy: -118.894
Base-Backbone interact. energy: -1.252
local terms energy: -144.258095
where:
bonds (distance) C4'-P energy: -31.058
bonds (distance) P-C4' energy: -32.643
flat angles C4'-P-C4' energy: -28.838
flat angles P-C4'-P energy: -19.983
tors. eta vs tors. theta energy: -31.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -228.599851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.599851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.599851 (E_RNA)
where:
Base-Base interactions energy: -112.528
where: short stacking energy: -65.792
Base-Backbone interact. energy: -0.259
local terms energy: -115.812202
where:
bonds (distance) C4'-P energy: -28.412
bonds (distance) P-C4' energy: -27.557
flat angles C4'-P-C4' energy: -27.910
flat angles P-C4'-P energy: -23.584
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: 9, replica: 9
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -158.315601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.315601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.315601 (E_RNA)
where:
Base-Base interactions energy: -60.686
where: short stacking energy: -59.476
Base-Backbone interact. energy: -0.528
local terms energy: -97.101841
where:
bonds (distance) C4'-P energy: -28.921
bonds (distance) P-C4' energy: -28.044
flat angles C4'-P-C4' energy: -20.737
flat angles P-C4'-P energy: -14.298
tors. eta vs tors. theta energy: -5.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -150.770547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.770547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.770547 (E_RNA)
where:
Base-Base interactions energy: -52.433
where: short stacking energy: -41.695
Base-Backbone interact. energy: -0.046
local terms energy: -98.292095
where:
bonds (distance) C4'-P energy: -27.651
bonds (distance) P-C4' energy: -29.070
flat angles C4'-P-C4' energy: -25.955
flat angles P-C4'-P energy: -14.071
tors. eta vs tors. theta energy: -1.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -530.968081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.968081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.968081 (E_RNA)
where:
Base-Base interactions energy: -360.530
where: short stacking energy: -155.935
Base-Backbone interact. energy: -1.372
local terms energy: -169.066422
where:
bonds (distance) C4'-P energy: -29.497
bonds (distance) P-C4' energy: -31.367
flat angles C4'-P-C4' energy: -39.677
flat angles P-C4'-P energy: -20.394
tors. eta vs tors. theta energy: -48.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -530.864041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.864041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.864041 (E_RNA)
where:
Base-Base interactions energy: -375.010
where: short stacking energy: -167.336
Base-Backbone interact. energy: -0.112
local terms energy: -155.742081
where:
bonds (distance) C4'-P energy: -23.662
bonds (distance) P-C4' energy: -28.326
flat angles C4'-P-C4' energy: -36.640
flat angles P-C4'-P energy: -24.233
tors. eta vs tors. theta energy: -42.881
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: 390
Temperature: 1.000000
Total energy: -498.045854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.045854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.045854 (E_RNA)
where:
Base-Base interactions energy: -334.673
where: short stacking energy: -152.354
Base-Backbone interact. energy: -0.316
local terms energy: -163.057465
where:
bonds (distance) C4'-P energy: -32.387
bonds (distance) P-C4' energy: -32.932
flat angles C4'-P-C4' energy: -32.330
flat angles P-C4'-P energy: -22.263
tors. eta vs tors. theta energy: -43.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -461.238363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.238363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.238363 (E_RNA)
where:
Base-Base interactions energy: -319.672
where: short stacking energy: -137.289
Base-Backbone interact. energy: -0.065
local terms energy: -141.501582
where:
bonds (distance) C4'-P energy: -25.450
bonds (distance) P-C4' energy: -27.077
flat angles C4'-P-C4' energy: -27.722
flat angles P-C4'-P energy: -24.503
tors. eta vs tors. theta energy: -36.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -407.076094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.076094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.076094 (E_RNA)
where:
Base-Base interactions energy: -266.766
where: short stacking energy: -124.343
Base-Backbone interact. energy: -0.667
local terms energy: -139.643307
where:
bonds (distance) C4'-P energy: -26.625
bonds (distance) P-C4' energy: -27.889
flat angles C4'-P-C4' energy: -33.289
flat angles P-C4'-P energy: -20.913
tors. eta vs tors. theta energy: -30.927
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: 1
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -347.774395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.774395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.774395 (E_RNA)
where:
Base-Base interactions energy: -213.534
where: short stacking energy: -92.571
Base-Backbone interact. energy: 0.494
local terms energy: -134.734042
where:
bonds (distance) C4'-P energy: -26.384
bonds (distance) P-C4' energy: -37.216
flat angles C4'-P-C4' energy: -26.508
flat angles P-C4'-P energy: -18.441
tors. eta vs tors. theta energy: -26.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -407.078656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.078656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.078656 (E_RNA)
where:
Base-Base interactions energy: -275.395
where: short stacking energy: -124.024
Base-Backbone interact. energy: -0.116
local terms energy: -131.567716
where:
bonds (distance) C4'-P energy: -25.067
bonds (distance) P-C4' energy: -33.996
flat angles C4'-P-C4' energy: -27.802
flat angles P-C4'-P energy: -19.018
tors. eta vs tors. theta energy: -25.684
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: 5
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -242.035990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.035990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.035990 (E_RNA)
where:
Base-Base interactions energy: -124.056
where: short stacking energy: -73.626
Base-Backbone interact. energy: -1.372
local terms energy: -116.607380
where:
bonds (distance) C4'-P energy: -26.349
bonds (distance) P-C4' energy: -28.741
flat angles C4'-P-C4' energy: -31.173
flat angles P-C4'-P energy: -22.703
tors. eta vs tors. theta energy: -7.641
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: 4
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -181.445435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.445435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.445435 (E_RNA)
where:
Base-Base interactions energy: -90.328
where: short stacking energy: -54.022
Base-Backbone interact. energy: -0.438
local terms energy: -90.678858
where:
bonds (distance) C4'-P energy: -22.711
bonds (distance) P-C4' energy: -23.944
flat angles C4'-P-C4' energy: -27.862
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -5.645
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: 390
Temperature: 1.350000
Total energy: -140.565113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.565113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.565113 (E_RNA)
where:
Base-Base interactions energy: -57.934
where: short stacking energy: -48.962
Base-Backbone interact. energy: 0.321
local terms energy: -82.952124
where:
bonds (distance) C4'-P energy: -31.617
bonds (distance) P-C4' energy: -29.527
flat angles C4'-P-C4' energy: -20.813
flat angles P-C4'-P energy: -6.010
tors. eta vs tors. theta energy: 5.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -534.376488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.376488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.376488 (E_RNA)
where:
Base-Base interactions energy: -359.939
where: short stacking energy: -171.006
Base-Backbone interact. energy: -0.600
local terms energy: -173.838431
where:
bonds (distance) C4'-P energy: -29.722
bonds (distance) P-C4' energy: -29.459
flat angles C4'-P-C4' energy: -37.356
flat angles P-C4'-P energy: -23.525
tors. eta vs tors. theta energy: -53.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -538.726422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.726422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.726422 (E_RNA)
where:
Base-Base interactions energy: -376.981
where: short stacking energy: -170.503
Base-Backbone interact. energy: -0.064
local terms energy: -161.681059
where:
bonds (distance) C4'-P energy: -30.592
bonds (distance) P-C4' energy: -26.451
flat angles C4'-P-C4' energy: -32.111
flat angles P-C4'-P energy: -25.583
tors. eta vs tors. theta energy: -46.943
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: 3, replica: 10
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -504.479829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.479829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.479829 (E_RNA)
where:
Base-Base interactions energy: -356.037
where: short stacking energy: -157.468
Base-Backbone interact. energy: -1.819
local terms energy: -146.623658
where:
bonds (distance) C4'-P energy: -23.626
bonds (distance) P-C4' energy: -26.349
flat angles C4'-P-C4' energy: -35.348
flat angles P-C4'-P energy: -20.567
tors. eta vs tors. theta energy: -40.734
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: 3
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -459.828109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.828109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.828109 (E_RNA)
where:
Base-Base interactions energy: -310.398
where: short stacking energy: -143.791
Base-Backbone interact. energy: -0.127
local terms energy: -149.302480
where:
bonds (distance) C4'-P energy: -23.477
bonds (distance) P-C4' energy: -32.533
flat angles C4'-P-C4' energy: -32.023
flat angles P-C4'-P energy: -19.538
tors. eta vs tors. theta energy: -41.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -411.174302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.174302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.174302 (E_RNA)
where:
Base-Base interactions energy: -270.280
where: short stacking energy: -120.351
Base-Backbone interact. energy: -2.493
local terms energy: -138.402212
where:
bonds (distance) C4'-P energy: -30.445
bonds (distance) P-C4' energy: -28.955
flat angles C4'-P-C4' energy: -36.044
flat angles P-C4'-P energy: -18.410
tors. eta vs tors. theta energy: -24.548
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: 6, replica: 7
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -401.275026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.275026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.275026 (E_RNA)
where:
Base-Base interactions energy: -266.603
where: short stacking energy: -123.687
Base-Backbone interact. energy: -2.868
local terms energy: -131.804159
where:
bonds (distance) C4'-P energy: -24.460
bonds (distance) P-C4' energy: -33.636
flat angles C4'-P-C4' energy: -27.162
flat angles P-C4'-P energy: -15.263
tors. eta vs tors. theta energy: -31.283
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: 7, replica: 1
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -354.206584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.206584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.206584 (E_RNA)
where:
Base-Base interactions energy: -212.830
where: short stacking energy: -100.160
Base-Backbone interact. energy: 0.013
local terms energy: -141.389522
where:
bonds (distance) C4'-P energy: -28.623
bonds (distance) P-C4' energy: -34.025
flat angles C4'-P-C4' energy: -25.658
flat angles P-C4'-P energy: -25.727
tors. eta vs tors. theta energy: -27.358
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: 4
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -205.320245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.320245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.320245 (E_RNA)
where:
Base-Base interactions energy: -106.745
where: short stacking energy: -67.088
Base-Backbone interact. energy: -0.264
local terms energy: -98.310441
where:
bonds (distance) C4'-P energy: -22.119
bonds (distance) P-C4' energy: -26.852
flat angles C4'-P-C4' energy: -17.791
flat angles P-C4'-P energy: -21.837
tors. eta vs tors. theta energy: -9.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -232.429501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.429501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.429501 (E_RNA)
where:
Base-Base interactions energy: -132.006
where: short stacking energy: -73.752
Base-Backbone interact. energy: 0.369
local terms energy: -100.792894
where:
bonds (distance) C4'-P energy: -18.487
bonds (distance) P-C4' energy: -27.841
flat angles C4'-P-C4' energy: -28.731
flat angles P-C4'-P energy: -13.672
tors. eta vs tors. theta energy: -12.063
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: 9
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -163.315905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.315905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.315905 (E_RNA)
where:
Base-Base interactions energy: -66.633
where: short stacking energy: -54.661
Base-Backbone interact. energy: 0.435
local terms energy: -97.117444
where:
bonds (distance) C4'-P energy: -26.685
bonds (distance) P-C4' energy: -35.843
flat angles C4'-P-C4' energy: -28.395
flat angles P-C4'-P energy: -3.136
tors. eta vs tors. theta energy: -3.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -532.868119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.868119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.868119 (E_RNA)
where:
Base-Base interactions energy: -355.812
where: short stacking energy: -159.241
Base-Backbone interact. energy: -0.311
local terms energy: -176.745063
where:
bonds (distance) C4'-P energy: -29.676
bonds (distance) P-C4' energy: -36.846
flat angles C4'-P-C4' energy: -33.291
flat angles P-C4'-P energy: -25.641
tors. eta vs tors. theta energy: -51.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -535.558808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.558808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.558808 (E_RNA)
where:
Base-Base interactions energy: -361.486
where: short stacking energy: -157.344
Base-Backbone interact. energy: -0.732
local terms energy: -173.340053
where:
bonds (distance) C4'-P energy: -35.232
bonds (distance) P-C4' energy: -32.776
flat angles C4'-P-C4' energy: -33.181
flat angles P-C4'-P energy: -24.541
tors. eta vs tors. theta energy: -47.610
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: 10
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -499.295149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.295149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.295149 (E_RNA)
where:
Base-Base interactions energy: -341.902
where: short stacking energy: -154.757
Base-Backbone interact. energy: -1.214
local terms energy: -156.179335
where:
bonds (distance) C4'-P energy: -26.434
bonds (distance) P-C4' energy: -30.536
flat angles C4'-P-C4' energy: -36.029
flat angles P-C4'-P energy: -23.155
tors. eta vs tors. theta energy: -40.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -468.093985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.093985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.093985 (E_RNA)
where:
Base-Base interactions energy: -316.872
where: short stacking energy: -145.893
Base-Backbone interact. energy: 0.950
local terms energy: -152.171845
where:
bonds (distance) C4'-P energy: -30.565
bonds (distance) P-C4' energy: -28.405
flat angles C4'-P-C4' energy: -32.142
flat angles P-C4'-P energy: -20.244
tors. eta vs tors. theta energy: -40.816
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: 5, replica: 7
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -396.503725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.503725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.503725 (E_RNA)
where:
Base-Base interactions energy: -257.328
where: short stacking energy: -118.933
Base-Backbone interact. energy: -0.761
local terms energy: -138.414456
where:
bonds (distance) C4'-P energy: -26.896
bonds (distance) P-C4' energy: -28.760
flat angles C4'-P-C4' energy: -30.586
flat angles P-C4'-P energy: -17.201
tors. eta vs tors. theta energy: -34.971
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: 8
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -424.517659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.517659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.517659 (E_RNA)
where:
Base-Base interactions energy: -276.147
where: short stacking energy: -136.346
Base-Backbone interact. energy: -1.443
local terms energy: -146.927158
where:
bonds (distance) C4'-P energy: -29.866
bonds (distance) P-C4' energy: -29.889
flat angles C4'-P-C4' energy: -29.651
flat angles P-C4'-P energy: -18.650
tors. eta vs tors. theta energy: -38.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -350.094549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.094549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.094549 (E_RNA)
where:
Base-Base interactions energy: -218.036
where: short stacking energy: -92.126
Base-Backbone interact. energy: -0.209
local terms energy: -131.849213
where:
bonds (distance) C4'-P energy: -30.543
bonds (distance) P-C4' energy: -31.293
flat angles C4'-P-C4' energy: -29.589
flat angles P-C4'-P energy: -19.858
tors. eta vs tors. theta energy: -20.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -272.388127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.388127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.388127 (E_RNA)
where:
Base-Base interactions energy: -153.136
where: short stacking energy: -85.843
Base-Backbone interact. energy: 0.794
local terms energy: -120.045958
where:
bonds (distance) C4'-P energy: -29.022
bonds (distance) P-C4' energy: -31.227
flat angles C4'-P-C4' energy: -28.452
flat angles P-C4'-P energy: -11.663
tors. eta vs tors. theta energy: -19.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -232.184147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.184147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.184147 (E_RNA)
where:
Base-Base interactions energy: -130.853
where: short stacking energy: -86.624
Base-Backbone interact. energy: -0.417
local terms energy: -100.914372
where:
bonds (distance) C4'-P energy: -21.625
bonds (distance) P-C4' energy: -28.776
flat angles C4'-P-C4' energy: -24.068
flat angles P-C4'-P energy: -18.401
tors. eta vs tors. theta energy: -8.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -159.875199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.875199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.875199 (E_RNA)
where:
Base-Base interactions energy: -62.599
where: short stacking energy: -54.012
Base-Backbone interact. energy: -1.541
local terms energy: -95.735486
where:
bonds (distance) C4'-P energy: -23.875
bonds (distance) P-C4' energy: -30.592
flat angles C4'-P-C4' energy: -26.479
flat angles P-C4'-P energy: -16.430
tors. eta vs tors. theta energy: 1.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -546.671482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.671482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.671482 (E_RNA)
where:
Base-Base interactions energy: -368.411
where: short stacking energy: -173.234
Base-Backbone interact. energy: -0.013
local terms energy: -178.247448
where:
bonds (distance) C4'-P energy: -32.656
bonds (distance) P-C4' energy: -31.734
flat angles C4'-P-C4' energy: -36.187
flat angles P-C4'-P energy: -22.255
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: 2, replica: 6
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -530.910224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.910224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.910224 (E_RNA)
where:
Base-Base interactions energy: -364.770
where: short stacking energy: -157.913
Base-Backbone interact. energy: -1.427
local terms energy: -164.712636
where:
bonds (distance) C4'-P energy: -31.240
bonds (distance) P-C4' energy: -33.925
flat angles C4'-P-C4' energy: -34.809
flat angles P-C4'-P energy: -21.462
tors. eta vs tors. theta energy: -43.276
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: 10
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -495.391922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.391922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.391922 (E_RNA)
where:
Base-Base interactions energy: -350.674
where: short stacking energy: -141.663
Base-Backbone interact. energy: 0.118
local terms energy: -144.835452
where:
bonds (distance) C4'-P energy: -31.740
bonds (distance) P-C4' energy: -25.732
flat angles C4'-P-C4' energy: -31.113
flat angles P-C4'-P energy: -19.490
tors. eta vs tors. theta energy: -36.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -469.749863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.749863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.749863 (E_RNA)
where:
Base-Base interactions energy: -316.471
where: short stacking energy: -132.856
Base-Backbone interact. energy: 1.601
local terms energy: -154.879852
where:
bonds (distance) C4'-P energy: -32.822
bonds (distance) P-C4' energy: -31.407
flat angles C4'-P-C4' energy: -34.131
flat angles P-C4'-P energy: -22.127
tors. eta vs tors. theta energy: -34.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -374.291753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.291753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.291753 (E_RNA)
where:
Base-Base interactions energy: -233.253
where: short stacking energy: -101.076
Base-Backbone interact. energy: -2.809
local terms energy: -138.229021
where:
bonds (distance) C4'-P energy: -27.633
bonds (distance) P-C4' energy: -31.448
flat angles C4'-P-C4' energy: -31.592
flat angles P-C4'-P energy: -22.096
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: 6, replica: 8
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -417.060628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.060628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.060628 (E_RNA)
where:
Base-Base interactions energy: -279.044
where: short stacking energy: -130.735
Base-Backbone interact. energy: -1.466
local terms energy: -136.551025
where:
bonds (distance) C4'-P energy: -22.328
bonds (distance) P-C4' energy: -27.865
flat angles C4'-P-C4' energy: -31.406
flat angles P-C4'-P energy: -18.501
tors. eta vs tors. theta energy: -36.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -332.505356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.505356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.505356 (E_RNA)
where:
Base-Base interactions energy: -204.266
where: short stacking energy: -97.985
Base-Backbone interact. energy: -1.772
local terms energy: -126.467234
where:
bonds (distance) C4'-P energy: -25.786
bonds (distance) P-C4' energy: -30.747
flat angles C4'-P-C4' energy: -29.213
flat angles P-C4'-P energy: -21.236
tors. eta vs tors. theta energy: -19.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -302.163013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.163013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.163013 (E_RNA)
where:
Base-Base interactions energy: -194.719
where: short stacking energy: -84.958
Base-Backbone interact. energy: -1.144
local terms energy: -106.300185
where:
bonds (distance) C4'-P energy: -19.820
bonds (distance) P-C4' energy: -32.080
flat angles C4'-P-C4' energy: -22.327
flat angles P-C4'-P energy: -18.031
tors. eta vs tors. theta energy: -14.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -175.371316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.371316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.371316 (E_RNA)
where:
Base-Base interactions energy: -75.247
where: short stacking energy: -41.136
Base-Backbone interact. energy: 1.574
local terms energy: -101.698400
where:
bonds (distance) C4'-P energy: -28.500
bonds (distance) P-C4' energy: -31.240
flat angles C4'-P-C4' energy: -23.066
flat angles P-C4'-P energy: -21.538
tors. eta vs tors. theta energy: 2.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -148.743414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.743414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.743414 (E_RNA)
where:
Base-Base interactions energy: -63.426
where: short stacking energy: -54.363
Base-Backbone interact. energy: -1.037
local terms energy: -84.281074
where:
bonds (distance) C4'-P energy: -29.998
bonds (distance) P-C4' energy: -28.387
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: 1.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -557.227648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.227648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.227648 (E_RNA)
where:
Base-Base interactions energy: -371.758
where: short stacking energy: -166.925
Base-Backbone interact. energy: -0.124
local terms energy: -185.346367
where:
bonds (distance) C4'-P energy: -33.551
bonds (distance) P-C4' energy: -34.711
flat angles C4'-P-C4' energy: -34.645
flat angles P-C4'-P energy: -28.810
tors. eta vs tors. theta energy: -53.631
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: 2
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -525.395293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.395293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.395293 (E_RNA)
where:
Base-Base interactions energy: -353.573
where: short stacking energy: -173.363
Base-Backbone interact. energy: -0.014
local terms energy: -171.808409
where:
bonds (distance) C4'-P energy: -26.879
bonds (distance) P-C4' energy: -32.545
flat angles C4'-P-C4' energy: -37.519
flat angles P-C4'-P energy: -26.219
tors. eta vs tors. theta energy: -48.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -496.694056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.694056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.694056 (E_RNA)
where:
Base-Base interactions energy: -339.498
where: short stacking energy: -147.082
Base-Backbone interact. energy: 0.663
local terms energy: -157.859378
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -36.363
flat angles C4'-P-C4' energy: -36.117
flat angles P-C4'-P energy: -24.800
tors. eta vs tors. theta energy: -43.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -454.276143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.276143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.276143 (E_RNA)
where:
Base-Base interactions energy: -305.766
where: short stacking energy: -134.695
Base-Backbone interact. energy: -1.038
local terms energy: -147.472663
where:
bonds (distance) C4'-P energy: -26.771
bonds (distance) P-C4' energy: -29.719
flat angles C4'-P-C4' energy: -34.350
flat angles P-C4'-P energy: -20.328
tors. eta vs tors. theta energy: -36.305
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: 8
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -418.319929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.319929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.319929 (E_RNA)
where:
Base-Base interactions energy: -283.666
where: short stacking energy: -123.347
Base-Backbone interact. energy: -2.678
local terms energy: -131.975539
where:
bonds (distance) C4'-P energy: -24.620
bonds (distance) P-C4' energy: -27.912
flat angles C4'-P-C4' energy: -27.380
flat angles P-C4'-P energy: -21.182
tors. eta vs tors. theta energy: -30.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -386.297078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.297078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.297078 (E_RNA)
where:
Base-Base interactions energy: -247.433
where: short stacking energy: -121.236
Base-Backbone interact. energy: -0.213
local terms energy: -138.650436
where:
bonds (distance) C4'-P energy: -27.918
bonds (distance) P-C4' energy: -27.686
flat angles C4'-P-C4' energy: -31.823
flat angles P-C4'-P energy: -17.905
tors. eta vs tors. theta energy: -33.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -332.793350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.793350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.793350 (E_RNA)
where:
Base-Base interactions energy: -202.877
where: short stacking energy: -98.408
Base-Backbone interact. energy: 0.320
local terms energy: -130.236057
where:
bonds (distance) C4'-P energy: -30.347
bonds (distance) P-C4' energy: -30.092
flat angles C4'-P-C4' energy: -30.441
flat angles P-C4'-P energy: -17.803
tors. eta vs tors. theta energy: -21.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -294.512468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.512468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.512468 (E_RNA)
where:
Base-Base interactions energy: -179.353
where: short stacking energy: -93.163
Base-Backbone interact. energy: -1.739
local terms energy: -113.420698
where:
bonds (distance) C4'-P energy: -21.544
bonds (distance) P-C4' energy: -30.628
flat angles C4'-P-C4' energy: -31.362
flat angles P-C4'-P energy: -15.935
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: 9, replica: 9
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -165.416531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.416531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.416531 (E_RNA)
where:
Base-Base interactions energy: -65.924
where: short stacking energy: -47.251
Base-Backbone interact. energy: -1.022
local terms energy: -98.470312
where:
bonds (distance) C4'-P energy: -33.459
bonds (distance) P-C4' energy: -17.873
flat angles C4'-P-C4' energy: -23.218
flat angles P-C4'-P energy: -18.786
tors. eta vs tors. theta energy: -5.134
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: 10, replica: 5
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -151.278827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.278827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.278827 (E_RNA)
where:
Base-Base interactions energy: -52.329
where: short stacking energy: -44.387
Base-Backbone interact. energy: 0.218
local terms energy: -99.167769
where:
bonds (distance) C4'-P energy: -30.421
bonds (distance) P-C4' energy: -33.258
flat angles C4'-P-C4' energy: -25.152
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: 1.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -566.159867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.159867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.159867 (E_RNA)
where:
Base-Base interactions energy: -389.905
where: short stacking energy: -179.389
Base-Backbone interact. energy: 1.211
local terms energy: -177.465994
where:
bonds (distance) C4'-P energy: -35.062
bonds (distance) P-C4' energy: -32.706
flat angles C4'-P-C4' energy: -33.029
flat angles P-C4'-P energy: -29.301
tors. eta vs tors. theta energy: -47.369
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: 2
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -509.374288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.374288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.374288 (E_RNA)
where:
Base-Base interactions energy: -341.795
where: short stacking energy: -156.573
Base-Backbone interact. energy: 0.323
local terms energy: -167.902209
where:
bonds (distance) C4'-P energy: -31.268
bonds (distance) P-C4' energy: -31.555
flat angles C4'-P-C4' energy: -35.104
flat angles P-C4'-P energy: -22.433
tors. eta vs tors. theta energy: -47.542
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: 10
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -477.127770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.127770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.127770 (E_RNA)
where:
Base-Base interactions energy: -316.661
where: short stacking energy: -152.512
Base-Backbone interact. energy: -0.371
local terms energy: -160.096463
where:
bonds (distance) C4'-P energy: -29.451
bonds (distance) P-C4' energy: -33.730
flat angles C4'-P-C4' energy: -34.144
flat angles P-C4'-P energy: -22.519
tors. eta vs tors. theta energy: -40.253
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: 8
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -440.374414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.374414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.374414 (E_RNA)
where:
Base-Base interactions energy: -282.952
where: short stacking energy: -129.876
Base-Backbone interact. energy: -2.156
local terms energy: -155.266313
where:
bonds (distance) C4'-P energy: -35.463
bonds (distance) P-C4' energy: -32.011
flat angles C4'-P-C4' energy: -32.301
flat angles P-C4'-P energy: -22.635
tors. eta vs tors. theta energy: -32.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -421.698460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.698460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.698460 (E_RNA)
where:
Base-Base interactions energy: -275.886
where: short stacking energy: -134.431
Base-Backbone interact. energy: -1.946
local terms energy: -143.866102
where:
bonds (distance) C4'-P energy: -34.644
bonds (distance) P-C4' energy: -27.909
flat angles C4'-P-C4' energy: -28.781
flat angles P-C4'-P energy: -15.398
tors. eta vs tors. theta energy: -37.135
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: 6, replica: 7
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -413.261574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.261574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.261574 (E_RNA)
where:
Base-Base interactions energy: -254.250
where: short stacking energy: -122.593
Base-Backbone interact. energy: -0.906
local terms energy: -158.105333
where:
bonds (distance) C4'-P energy: -30.999
bonds (distance) P-C4' energy: -31.883
flat angles C4'-P-C4' energy: -32.315
flat angles P-C4'-P energy: -24.565
tors. eta vs tors. theta energy: -38.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -352.990855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.990855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.990855 (E_RNA)
where:
Base-Base interactions energy: -217.247
where: short stacking energy: -116.714
Base-Backbone interact. energy: -0.145
local terms energy: -135.598844
where:
bonds (distance) C4'-P energy: -30.374
bonds (distance) P-C4' energy: -26.914
flat angles C4'-P-C4' energy: -33.463
flat angles P-C4'-P energy: -14.656
tors. eta vs tors. theta energy: -30.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -311.071612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.071612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.071612 (E_RNA)
where:
Base-Base interactions energy: -184.313
where: short stacking energy: -92.791
Base-Backbone interact. energy: -1.069
local terms energy: -125.689054
where:
bonds (distance) C4'-P energy: -29.207
bonds (distance) P-C4' energy: -32.410
flat angles C4'-P-C4' energy: -26.932
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: -23.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -161.600520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.600520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.600520 (E_RNA)
where:
Base-Base interactions energy: -77.077
where: short stacking energy: -31.171
Base-Backbone interact. energy: -0.787
local terms energy: -83.736619
where:
bonds (distance) C4'-P energy: -31.714
bonds (distance) P-C4' energy: -29.235
flat angles C4'-P-C4' energy: -21.579
flat angles P-C4'-P energy: -7.511
tors. eta vs tors. theta energy: 6.302
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: 5
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -158.803378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.803378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.803378 (E_RNA)
where:
Base-Base interactions energy: -69.477
where: short stacking energy: -53.517
Base-Backbone interact. energy: -0.750
local terms energy: -88.576180
where:
bonds (distance) C4'-P energy: -25.048
bonds (distance) P-C4' energy: -29.186
flat angles C4'-P-C4' energy: -21.088
flat angles P-C4'-P energy: -14.102
tors. eta vs tors. theta energy: 0.848
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: 1, replica: 6
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -560.917073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.917073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.917073 (E_RNA)
where:
Base-Base interactions energy: -379.821
where: short stacking energy: -173.956
Base-Backbone interact. energy: -0.004
local terms energy: -181.091782
where:
bonds (distance) C4'-P energy: -36.195
bonds (distance) P-C4' energy: -33.752
flat angles C4'-P-C4' energy: -35.567
flat angles P-C4'-P energy: -27.828
tors. eta vs tors. theta energy: -47.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -518.915152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.915152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.915152 (E_RNA)
where:
Base-Base interactions energy: -353.245
where: short stacking energy: -162.458
Base-Backbone interact. energy: -0.939
local terms energy: -164.731055
where:
bonds (distance) C4'-P energy: -28.007
bonds (distance) P-C4' energy: -32.639
flat angles C4'-P-C4' energy: -36.538
flat angles P-C4'-P energy: -22.784
tors. eta vs tors. theta energy: -44.763
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: 396
Temperature: 1.000000
Total energy: -485.429030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.429030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.429030 (E_RNA)
where:
Base-Base interactions energy: -327.970
where: short stacking energy: -152.289
Base-Backbone interact. energy: -1.133
local terms energy: -156.326616
where:
bonds (distance) C4'-P energy: -27.143
bonds (distance) P-C4' energy: -31.884
flat angles C4'-P-C4' energy: -31.597
flat angles P-C4'-P energy: -27.385
tors. eta vs tors. theta energy: -38.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -434.878267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.878267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.878267 (E_RNA)
where:
Base-Base interactions energy: -287.199
where: short stacking energy: -135.037
Base-Backbone interact. energy: -2.303
local terms energy: -145.377017
where:
bonds (distance) C4'-P energy: -32.269
bonds (distance) P-C4' energy: -23.905
flat angles C4'-P-C4' energy: -32.511
flat angles P-C4'-P energy: -17.133
tors. eta vs tors. theta energy: -39.558
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: 3
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -445.513216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.513216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.513216 (E_RNA)
where:
Base-Base interactions energy: -280.365
where: short stacking energy: -142.268
Base-Backbone interact. energy: -0.611
local terms energy: -164.537922
where:
bonds (distance) C4'-P energy: -35.612
bonds (distance) P-C4' energy: -30.928
flat angles C4'-P-C4' energy: -31.065
flat angles P-C4'-P energy: -23.853
tors. eta vs tors. theta energy: -43.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -415.671583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.671583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.671583 (E_RNA)
where:
Base-Base interactions energy: -266.393
where: short stacking energy: -131.634
Base-Backbone interact. energy: -0.423
local terms energy: -148.855314
where:
bonds (distance) C4'-P energy: -28.648
bonds (distance) P-C4' energy: -28.948
flat angles C4'-P-C4' energy: -33.713
flat angles P-C4'-P energy: -21.883
tors. eta vs tors. theta energy: -35.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -282.446098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.446098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.446098 (E_RNA)
where:
Base-Base interactions energy: -160.885
where: short stacking energy: -86.939
Base-Backbone interact. energy: -0.422
local terms energy: -121.139104
where:
bonds (distance) C4'-P energy: -31.198
bonds (distance) P-C4' energy: -33.098
flat angles C4'-P-C4' energy: -24.656
flat angles P-C4'-P energy: -17.812
tors. eta vs tors. theta energy: -14.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -317.126968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.126968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.126968 (E_RNA)
where:
Base-Base interactions energy: -197.322
where: short stacking energy: -106.087
Base-Backbone interact. energy: -0.228
local terms energy: -119.577451
where:
bonds (distance) C4'-P energy: -26.122
bonds (distance) P-C4' energy: -21.079
flat angles C4'-P-C4' energy: -23.630
flat angles P-C4'-P energy: -19.421
tors. eta vs tors. theta energy: -29.325
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: 5
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -192.590927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.590927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.590927 (E_RNA)
where:
Base-Base interactions energy: -80.258
where: short stacking energy: -63.182
Base-Backbone interact. energy: -0.140
local terms energy: -112.192611
where:
bonds (distance) C4'-P energy: -28.724
bonds (distance) P-C4' energy: -25.902
flat angles C4'-P-C4' energy: -27.218
flat angles P-C4'-P energy: -16.882
tors. eta vs tors. theta energy: -13.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -159.757609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.757609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.757609 (E_RNA)
where:
Base-Base interactions energy: -74.678
where: short stacking energy: -55.995
Base-Backbone interact. energy: -0.472
local terms energy: -84.607394
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -28.124
flat angles C4'-P-C4' energy: -29.254
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -1.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -548.096289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.096289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.096289 (E_RNA)
where:
Base-Base interactions energy: -374.893
where: short stacking energy: -168.295
Base-Backbone interact. energy: -0.179
local terms energy: -173.024433
where:
bonds (distance) C4'-P energy: -30.473
bonds (distance) P-C4' energy: -36.303
flat angles C4'-P-C4' energy: -36.998
flat angles P-C4'-P energy: -21.588
tors. eta vs tors. theta energy: -47.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -529.158576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.158576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.158576 (E_RNA)
where:
Base-Base interactions energy: -364.231
where: short stacking energy: -171.348
Base-Backbone interact. energy: -0.566
local terms energy: -164.361085
where:
bonds (distance) C4'-P energy: -27.097
bonds (distance) P-C4' energy: -32.348
flat angles C4'-P-C4' energy: -31.429
flat angles P-C4'-P energy: -23.672
tors. eta vs tors. theta energy: -49.815
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: 10
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -481.832208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.832208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.832208 (E_RNA)
where:
Base-Base interactions energy: -321.401
where: short stacking energy: -149.527
Base-Backbone interact. energy: -0.985
local terms energy: -159.446359
where:
bonds (distance) C4'-P energy: -24.358
bonds (distance) P-C4' energy: -31.237
flat angles C4'-P-C4' energy: -35.797
flat angles P-C4'-P energy: -23.521
tors. eta vs tors. theta energy: -44.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -436.643687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.643687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.643687 (E_RNA)
where:
Base-Base interactions energy: -293.411
where: short stacking energy: -133.943
Base-Backbone interact. energy: -0.547
local terms energy: -142.685141
where:
bonds (distance) C4'-P energy: -30.681
bonds (distance) P-C4' energy: -27.729
flat angles C4'-P-C4' energy: -34.451
flat angles P-C4'-P energy: -17.928
tors. eta vs tors. theta energy: -31.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -426.475790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.475790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.475790 (E_RNA)
where:
Base-Base interactions energy: -281.607
where: short stacking energy: -115.409
Base-Backbone interact. energy: -2.104
local terms energy: -142.764587
where:
bonds (distance) C4'-P energy: -29.672
bonds (distance) P-C4' energy: -35.458
flat angles C4'-P-C4' energy: -25.727
flat angles P-C4'-P energy: -19.807
tors. eta vs tors. theta energy: -32.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -412.134405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.134405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.134405 (E_RNA)
where:
Base-Base interactions energy: -266.423
where: short stacking energy: -118.303
Base-Backbone interact. energy: -0.356
local terms energy: -145.355512
where:
bonds (distance) C4'-P energy: -26.635
bonds (distance) P-C4' energy: -25.750
flat angles C4'-P-C4' energy: -37.401
flat angles P-C4'-P energy: -16.022
tors. eta vs tors. theta energy: -39.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -305.392653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.392653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.392653 (E_RNA)
where:
Base-Base interactions energy: -177.633
where: short stacking energy: -104.155
Base-Backbone interact. energy: -0.231
local terms energy: -127.528732
where:
bonds (distance) C4'-P energy: -21.397
bonds (distance) P-C4' energy: -27.566
flat angles C4'-P-C4' energy: -29.359
flat angles P-C4'-P energy: -24.579
tors. eta vs tors. theta energy: -24.628
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: 8, replica: 1
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -336.312811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.312811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.312811 (E_RNA)
where:
Base-Base interactions energy: -211.453
where: short stacking energy: -89.883
Base-Backbone interact. energy: -1.728
local terms energy: -123.132681
where:
bonds (distance) C4'-P energy: -33.747
bonds (distance) P-C4' energy: -32.540
flat angles C4'-P-C4' energy: -28.056
flat angles P-C4'-P energy: -13.372
tors. eta vs tors. theta energy: -15.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -156.924330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.924330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.924330 (E_RNA)
where:
Base-Base interactions energy: -56.427
where: short stacking energy: -41.149
Base-Backbone interact. energy: 0.747
local terms energy: -101.244556
where:
bonds (distance) C4'-P energy: -27.074
bonds (distance) P-C4' energy: -30.555
flat angles C4'-P-C4' energy: -29.428
flat angles P-C4'-P energy: -14.344
tors. eta vs tors. theta energy: 0.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -149.195380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.195380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.195380 (E_RNA)
where:
Base-Base interactions energy: -68.454
where: short stacking energy: -51.713
Base-Backbone interact. energy: -0.672
local terms energy: -80.069433
where:
bonds (distance) C4'-P energy: -23.526
bonds (distance) P-C4' energy: -27.310
flat angles C4'-P-C4' energy: -20.855
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -0.123
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: 6
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -547.922947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.922947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.922947 (E_RNA)
where:
Base-Base interactions energy: -369.675
where: short stacking energy: -173.127
Base-Backbone interact. energy: -0.585
local terms energy: -177.662193
where:
bonds (distance) C4'-P energy: -33.396
bonds (distance) P-C4' energy: -35.079
flat angles C4'-P-C4' energy: -34.833
flat angles P-C4'-P energy: -25.676
tors. eta vs tors. theta energy: -48.677
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: 2
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -529.575197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.575197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.575197 (E_RNA)
where:
Base-Base interactions energy: -359.191
where: short stacking energy: -161.438
Base-Backbone interact. energy: -0.194
local terms energy: -170.189650
where:
bonds (distance) C4'-P energy: -31.981
bonds (distance) P-C4' energy: -31.929
flat angles C4'-P-C4' energy: -34.886
flat angles P-C4'-P energy: -23.238
tors. eta vs tors. theta energy: -48.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -493.170543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.170543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.170543 (E_RNA)
where:
Base-Base interactions energy: -328.501
where: short stacking energy: -142.058
Base-Backbone interact. energy: -0.259
local terms energy: -164.410502
where:
bonds (distance) C4'-P energy: -34.864
bonds (distance) P-C4' energy: -33.884
flat angles C4'-P-C4' energy: -35.695
flat angles P-C4'-P energy: -21.306
tors. eta vs tors. theta energy: -38.662
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: 4, replica: 8
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -434.984933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.984933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.984933 (E_RNA)
where:
Base-Base interactions energy: -286.779
where: short stacking energy: -131.935
Base-Backbone interact. energy: 0.523
local terms energy: -148.729168
where:
bonds (distance) C4'-P energy: -28.666
bonds (distance) P-C4' energy: -29.893
flat angles C4'-P-C4' energy: -35.105
flat angles P-C4'-P energy: -21.711
tors. eta vs tors. theta energy: -33.355
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: 5, replica: 3
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -432.532269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.532269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.532269 (E_RNA)
where:
Base-Base interactions energy: -285.882
where: short stacking energy: -123.363
Base-Backbone interact. energy: -0.840
local terms energy: -145.810180
where:
bonds (distance) C4'-P energy: -26.959
bonds (distance) P-C4' energy: -30.548
flat angles C4'-P-C4' energy: -32.738
flat angles P-C4'-P energy: -21.819
tors. eta vs tors. theta energy: -33.746
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: 7
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -428.590422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.590422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.590422 (E_RNA)
where:
Base-Base interactions energy: -277.638
where: short stacking energy: -130.894
Base-Backbone interact. energy: -0.265
local terms energy: -150.687462
where:
bonds (distance) C4'-P energy: -21.920
bonds (distance) P-C4' energy: -32.728
flat angles C4'-P-C4' energy: -36.450
flat angles P-C4'-P energy: -21.333
tors. eta vs tors. theta energy: -38.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -363.754324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.754324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.754324 (E_RNA)
where:
Base-Base interactions energy: -235.444
where: short stacking energy: -116.476
Base-Backbone interact. energy: -1.314
local terms energy: -126.997005
where:
bonds (distance) C4'-P energy: -26.337
bonds (distance) P-C4' energy: -24.801
flat angles C4'-P-C4' energy: -21.821
flat angles P-C4'-P energy: -26.510
tors. eta vs tors. theta energy: -27.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -247.710554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.710554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.710554 (E_RNA)
where:
Base-Base interactions energy: -156.739
where: short stacking energy: -78.093
Base-Backbone interact. energy: -0.422
local terms energy: -90.549182
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -26.173
flat angles C4'-P-C4' energy: -29.658
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -12.087
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: 9, replica: 9
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -156.038223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.038223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.038223 (E_RNA)
where:
Base-Base interactions energy: -67.391
where: short stacking energy: -47.703
Base-Backbone interact. energy: 0.256
local terms energy: -88.902904
where:
bonds (distance) C4'-P energy: -24.162
bonds (distance) P-C4' energy: -24.977
flat angles C4'-P-C4' energy: -26.211
flat angles P-C4'-P energy: -18.817
tors. eta vs tors. theta energy: 5.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -152.136178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.136178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.136178 (E_RNA)
where:
Base-Base interactions energy: -64.985
where: short stacking energy: -48.047
Base-Backbone interact. energy: -1.101
local terms energy: -86.049976
where:
bonds (distance) C4'-P energy: -18.335
bonds (distance) P-C4' energy: -25.649
flat angles C4'-P-C4' energy: -28.136
flat angles P-C4'-P energy: -17.968
tors. eta vs tors. theta energy: 4.037
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: 6
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -558.654410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.654410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.654410 (E_RNA)
where:
Base-Base interactions energy: -384.752
where: short stacking energy: -173.219
Base-Backbone interact. energy: 0.784
local terms energy: -174.686902
where:
bonds (distance) C4'-P energy: -36.184
bonds (distance) P-C4' energy: -29.529
flat angles C4'-P-C4' energy: -35.421
flat angles P-C4'-P energy: -27.311
tors. eta vs tors. theta energy: -46.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -530.833216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.833216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.833216 (E_RNA)
where:
Base-Base interactions energy: -352.659
where: short stacking energy: -160.246
Base-Backbone interact. energy: -0.222
local terms energy: -177.952015
where:
bonds (distance) C4'-P energy: -32.728
bonds (distance) P-C4' energy: -35.981
flat angles C4'-P-C4' energy: -34.087
flat angles P-C4'-P energy: -26.214
tors. eta vs tors. theta energy: -48.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -510.166896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.166896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.166896 (E_RNA)
where:
Base-Base interactions energy: -347.786
where: short stacking energy: -162.404
Base-Backbone interact. energy: 0.419
local terms energy: -162.799929
where:
bonds (distance) C4'-P energy: -32.751
bonds (distance) P-C4' energy: -30.156
flat angles C4'-P-C4' energy: -36.625
flat angles P-C4'-P energy: -20.291
tors. eta vs tors. theta energy: -42.977
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: 3
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -446.848898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.848898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.848898 (E_RNA)
where:
Base-Base interactions energy: -289.198
where: short stacking energy: -139.545
Base-Backbone interact. energy: -0.481
local terms energy: -157.169918
where:
bonds (distance) C4'-P energy: -27.064
bonds (distance) P-C4' energy: -32.681
flat angles C4'-P-C4' energy: -36.404
flat angles P-C4'-P energy: -17.229
tors. eta vs tors. theta energy: -43.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -426.142717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.142717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.142717 (E_RNA)
where:
Base-Base interactions energy: -273.328
where: short stacking energy: -137.721
Base-Backbone interact. energy: -1.461
local terms energy: -151.354506
where:
bonds (distance) C4'-P energy: -30.243
bonds (distance) P-C4' energy: -31.581
flat angles C4'-P-C4' energy: -37.280
flat angles P-C4'-P energy: -18.481
tors. eta vs tors. theta energy: -33.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -417.174387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.174387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.174387 (E_RNA)
where:
Base-Base interactions energy: -265.891
where: short stacking energy: -117.812
Base-Backbone interact. energy: -2.665
local terms energy: -148.618157
where:
bonds (distance) C4'-P energy: -32.001
bonds (distance) P-C4' energy: -28.130
flat angles C4'-P-C4' energy: -32.090
flat angles P-C4'-P energy: -22.007
tors. eta vs tors. theta energy: -34.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -376.498524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.498524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.498524 (E_RNA)
where:
Base-Base interactions energy: -256.435
where: short stacking energy: -111.412
Base-Backbone interact. energy: 0.383
local terms energy: -120.446132
where:
bonds (distance) C4'-P energy: -19.224
bonds (distance) P-C4' energy: -27.245
flat angles C4'-P-C4' energy: -26.162
flat angles P-C4'-P energy: -20.918
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: 8, replica: 9
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -172.034089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.034089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.034089 (E_RNA)
where:
Base-Base interactions energy: -72.430
where: short stacking energy: -53.829
Base-Backbone interact. energy: -0.437
local terms energy: -99.166447
where:
bonds (distance) C4'-P energy: -27.577
bonds (distance) P-C4' energy: -27.861
flat angles C4'-P-C4' energy: -29.313
flat angles P-C4'-P energy: -16.244
tors. eta vs tors. theta energy: 1.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -237.789794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.789794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.789794 (E_RNA)
where:
Base-Base interactions energy: -143.714
where: short stacking energy: -76.556
Base-Backbone interact. energy: 0.428
local terms energy: -94.504078
where:
bonds (distance) C4'-P energy: -25.118
bonds (distance) P-C4' energy: -24.474
flat angles C4'-P-C4' energy: -21.052
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -11.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -145.196313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.196313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.196313 (E_RNA)
where:
Base-Base interactions energy: -44.954
where: short stacking energy: -44.954
Base-Backbone interact. energy: -0.083
local terms energy: -100.159192
where:
bonds (distance) C4'-P energy: -23.202
bonds (distance) P-C4' energy: -37.369
flat angles C4'-P-C4' energy: -21.645
flat angles P-C4'-P energy: -18.150
tors. eta vs tors. theta energy: 0.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -560.645776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.645776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.645776 (E_RNA)
where:
Base-Base interactions energy: -383.370
where: short stacking energy: -176.776
Base-Backbone interact. energy: -0.301
local terms energy: -176.974760
where:
bonds (distance) C4'-P energy: -29.017
bonds (distance) P-C4' energy: -32.858
flat angles C4'-P-C4' energy: -36.756
flat angles P-C4'-P energy: -25.513
tors. eta vs tors. theta energy: -52.831
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: 2
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -531.971424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.971424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.971424 (E_RNA)
where:
Base-Base interactions energy: -357.109
where: short stacking energy: -166.768
Base-Backbone interact. energy: -0.595
local terms energy: -174.267080
where:
bonds (distance) C4'-P energy: -34.329
bonds (distance) P-C4' energy: -26.033
flat angles C4'-P-C4' energy: -36.021
flat angles P-C4'-P energy: -27.246
tors. eta vs tors. theta energy: -50.638
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: 10
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -496.294267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.294267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.294267 (E_RNA)
where:
Base-Base interactions energy: -338.568
where: short stacking energy: -140.596
Base-Backbone interact. energy: -1.371
local terms energy: -156.355976
where:
bonds (distance) C4'-P energy: -30.340
bonds (distance) P-C4' energy: -34.451
flat angles C4'-P-C4' energy: -30.105
flat angles P-C4'-P energy: -24.355
tors. eta vs tors. theta energy: -37.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -454.048974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.048974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.048974 (E_RNA)
where:
Base-Base interactions energy: -287.469
where: short stacking energy: -129.194
Base-Backbone interact. energy: -1.193
local terms energy: -165.386643
where:
bonds (distance) C4'-P energy: -27.094
bonds (distance) P-C4' energy: -35.695
flat angles C4'-P-C4' energy: -33.763
flat angles P-C4'-P energy: -26.812
tors. eta vs tors. theta energy: -42.024
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: 7
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -434.572528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.572528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.572528 (E_RNA)
where:
Base-Base interactions energy: -286.664
where: short stacking energy: -130.071
Base-Backbone interact. energy: -0.983
local terms energy: -146.925080
where:
bonds (distance) C4'-P energy: -29.013
bonds (distance) P-C4' energy: -28.706
flat angles C4'-P-C4' energy: -33.931
flat angles P-C4'-P energy: -16.700
tors. eta vs tors. theta energy: -38.575
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: 400
Temperature: 1.150000
Total energy: -412.844072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.844072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.844072 (E_RNA)
where:
Base-Base interactions energy: -280.955
where: short stacking energy: -112.440
Base-Backbone interact. energy: 1.739
local terms energy: -133.627873
where:
bonds (distance) C4'-P energy: -30.312
bonds (distance) P-C4' energy: -31.455
flat angles C4'-P-C4' energy: -25.831
flat angles P-C4'-P energy: -18.180
tors. eta vs tors. theta energy: -27.849
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: 1
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -367.344825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.344825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.344825 (E_RNA)
where:
Base-Base interactions energy: -231.522
where: short stacking energy: -109.290
Base-Backbone interact. energy: -0.079
local terms energy: -135.743490
where:
bonds (distance) C4'-P energy: -27.109
bonds (distance) P-C4' energy: -34.963
flat angles C4'-P-C4' energy: -23.032
flat angles P-C4'-P energy: -18.110
tors. eta vs tors. theta energy: -32.529
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: 9
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -200.400677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.400677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.400677 (E_RNA)
where:
Base-Base interactions energy: -97.212
where: short stacking energy: -75.427
Base-Backbone interact. energy: 2.654
local terms energy: -105.842674
where:
bonds (distance) C4'-P energy: -29.010
bonds (distance) P-C4' energy: -31.020
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -15.633
tors. eta vs tors. theta energy: -15.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -262.599796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.599796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.599796 (E_RNA)
where:
Base-Base interactions energy: -158.423
where: short stacking energy: -79.642
Base-Backbone interact. energy: -0.565
local terms energy: -103.611762
where:
bonds (distance) C4'-P energy: -28.774
bonds (distance) P-C4' energy: -22.271
flat angles C4'-P-C4' energy: -27.927
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -12.380
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: 5
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -157.585821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.585821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.585821 (E_RNA)
where:
Base-Base interactions energy: -58.163
where: short stacking energy: -50.688
Base-Backbone interact. energy: -0.330
local terms energy: -99.092728
where:
bonds (distance) C4'-P energy: -27.812
bonds (distance) P-C4' energy: -23.334
flat angles C4'-P-C4' energy: -30.358
flat angles P-C4'-P energy: -19.673
tors. eta vs tors. theta energy: 2.084
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: 1, replica: 6
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -553.320045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.320045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.320045 (E_RNA)
where:
Base-Base interactions energy: -384.260
where: short stacking energy: -171.430
Base-Backbone interact. energy: -0.083
local terms energy: -168.976651
where:
bonds (distance) C4'-P energy: -27.175
bonds (distance) P-C4' energy: -30.745
flat angles C4'-P-C4' energy: -38.400
flat angles P-C4'-P energy: -29.059
tors. eta vs tors. theta energy: -43.598
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: 2
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -529.216965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.216965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.216965 (E_RNA)
where:
Base-Base interactions energy: -351.170
where: short stacking energy: -165.124
Base-Backbone interact. energy: -0.054
local terms energy: -177.992817
where:
bonds (distance) C4'-P energy: -36.915
bonds (distance) P-C4' energy: -34.494
flat angles C4'-P-C4' energy: -36.457
flat angles P-C4'-P energy: -20.924
tors. eta vs tors. theta energy: -49.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -484.374109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.374109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.374109 (E_RNA)
where:
Base-Base interactions energy: -331.360
where: short stacking energy: -148.206
Base-Backbone interact. energy: -0.634
local terms energy: -152.380081
where:
bonds (distance) C4'-P energy: -29.112
bonds (distance) P-C4' energy: -31.811
flat angles C4'-P-C4' energy: -31.931
flat angles P-C4'-P energy: -21.035
tors. eta vs tors. theta energy: -38.491
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: 4, replica: 7
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -447.129345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.129345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.129345 (E_RNA)
where:
Base-Base interactions energy: -293.881
where: short stacking energy: -144.996
Base-Backbone interact. energy: -0.136
local terms energy: -153.111640
where:
bonds (distance) C4'-P energy: -33.039
bonds (distance) P-C4' energy: -25.321
flat angles C4'-P-C4' energy: -35.046
flat angles P-C4'-P energy: -19.588
tors. eta vs tors. theta energy: -40.118
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: 3
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -434.367095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.367095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.367095 (E_RNA)
where:
Base-Base interactions energy: -274.818
where: short stacking energy: -131.895
Base-Backbone interact. energy: -0.541
local terms energy: -159.007816
where:
bonds (distance) C4'-P energy: -28.772
bonds (distance) P-C4' energy: -32.806
flat angles C4'-P-C4' energy: -34.045
flat angles P-C4'-P energy: -24.370
tors. eta vs tors. theta energy: -39.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -379.779096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.779096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.779096 (E_RNA)
where:
Base-Base interactions energy: -252.662
where: short stacking energy: -107.637
Base-Backbone interact. energy: 0.136
local terms energy: -127.253696
where:
bonds (distance) C4'-P energy: -26.854
bonds (distance) P-C4' energy: -29.011
flat angles C4'-P-C4' energy: -30.433
flat angles P-C4'-P energy: -17.203
tors. eta vs tors. theta energy: -23.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -333.808205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.808205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.808205 (E_RNA)
where:
Base-Base interactions energy: -210.623
where: short stacking energy: -93.672
Base-Backbone interact. energy: -0.959
local terms energy: -122.225827
where:
bonds (distance) C4'-P energy: -21.020
bonds (distance) P-C4' energy: -32.813
flat angles C4'-P-C4' energy: -23.735
flat angles P-C4'-P energy: -23.849
tors. eta vs tors. theta energy: -20.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -246.582955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.582955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.582955 (E_RNA)
where:
Base-Base interactions energy: -139.262
where: short stacking energy: -85.401
Base-Backbone interact. energy: -0.203
local terms energy: -107.117381
where:
bonds (distance) C4'-P energy: -21.514
bonds (distance) P-C4' energy: -21.677
flat angles C4'-P-C4' energy: -29.137
flat angles P-C4'-P energy: -15.026
tors. eta vs tors. theta energy: -19.763
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: 9, replica: 9
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -180.579280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.579280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.579280 (E_RNA)
where:
Base-Base interactions energy: -70.467
where: short stacking energy: -59.176
Base-Backbone interact. energy: 1.000
local terms energy: -111.112353
where:
bonds (distance) C4'-P energy: -34.987
bonds (distance) P-C4' energy: -29.864
flat angles C4'-P-C4' energy: -25.082
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -8.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -162.826359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.826359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.826359 (E_RNA)
where:
Base-Base interactions energy: -58.766
where: short stacking energy: -48.694
Base-Backbone interact. energy: 0.760
local terms energy: -104.820415
where:
bonds (distance) C4'-P energy: -34.175
bonds (distance) P-C4' energy: -27.623
flat angles C4'-P-C4' energy: -25.977
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -5.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -555.197562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.197562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.197562 (E_RNA)
where:
Base-Base interactions energy: -385.508
where: short stacking energy: -169.376
Base-Backbone interact. energy: -1.459
local terms energy: -168.230388
where:
bonds (distance) C4'-P energy: -28.698
bonds (distance) P-C4' energy: -33.097
flat angles C4'-P-C4' energy: -39.665
flat angles P-C4'-P energy: -20.809
tors. eta vs tors. theta energy: -45.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -522.278196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.278196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.278196 (E_RNA)
where:
Base-Base interactions energy: -342.759
where: short stacking energy: -165.189
Base-Backbone interact. energy: -0.874
local terms energy: -178.644899
where:
bonds (distance) C4'-P energy: -38.122
bonds (distance) P-C4' energy: -31.647
flat angles C4'-P-C4' energy: -36.701
flat angles P-C4'-P energy: -22.235
tors. eta vs tors. theta energy: -49.940
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: 3, replica: 7
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -459.947412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.947412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.947412 (E_RNA)
where:
Base-Base interactions energy: -299.407
where: short stacking energy: -163.971
Base-Backbone interact. energy: 0.131
local terms energy: -160.672312
where:
bonds (distance) C4'-P energy: -28.258
bonds (distance) P-C4' energy: -33.025
flat angles C4'-P-C4' energy: -32.592
flat angles P-C4'-P energy: -22.462
tors. eta vs tors. theta energy: -44.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -476.404895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.404895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.404895 (E_RNA)
where:
Base-Base interactions energy: -331.269
where: short stacking energy: -140.897
Base-Backbone interact. energy: -0.714
local terms energy: -144.421931
where:
bonds (distance) C4'-P energy: -29.871
bonds (distance) P-C4' energy: -28.007
flat angles C4'-P-C4' energy: -34.260
flat angles P-C4'-P energy: -16.084
tors. eta vs tors. theta energy: -36.200
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: 5, replica: 8
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -412.831258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.831258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.831258 (E_RNA)
where:
Base-Base interactions energy: -269.573
where: short stacking energy: -125.076
Base-Backbone interact. energy: -1.337
local terms energy: -141.921355
where:
bonds (distance) C4'-P energy: -23.808
bonds (distance) P-C4' energy: -33.592
flat angles C4'-P-C4' energy: -34.916
flat angles P-C4'-P energy: -18.337
tors. eta vs tors. theta energy: -31.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -422.944795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.944795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.944795 (E_RNA)
where:
Base-Base interactions energy: -281.558
where: short stacking energy: -126.842
Base-Backbone interact. energy: 1.007
local terms energy: -142.393359
where:
bonds (distance) C4'-P energy: -30.351
bonds (distance) P-C4' energy: -29.678
flat angles C4'-P-C4' energy: -24.804
flat angles P-C4'-P energy: -21.698
tors. eta vs tors. theta energy: -35.862
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: 1
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -341.646797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.646797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.646797 (E_RNA)
where:
Base-Base interactions energy: -208.895
where: short stacking energy: -99.371
Base-Backbone interact. energy: -0.011
local terms energy: -132.740664
where:
bonds (distance) C4'-P energy: -28.130
bonds (distance) P-C4' energy: -29.219
flat angles C4'-P-C4' energy: -30.947
flat angles P-C4'-P energy: -17.269
tors. eta vs tors. theta energy: -27.175
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: 4
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -270.741881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.741881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.741881 (E_RNA)
where:
Base-Base interactions energy: -167.170
where: short stacking energy: -75.480
Base-Backbone interact. energy: 1.312
local terms energy: -104.882971
where:
bonds (distance) C4'-P energy: -21.627
bonds (distance) P-C4' energy: -25.456
flat angles C4'-P-C4' energy: -28.639
flat angles P-C4'-P energy: -19.744
tors. eta vs tors. theta energy: -9.416
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: 9
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -155.507906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.507906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.507906 (E_RNA)
where:
Base-Base interactions energy: -72.069
where: short stacking energy: -48.119
Base-Backbone interact. energy: -1.372
local terms energy: -82.067204
where:
bonds (distance) C4'-P energy: -22.370
bonds (distance) P-C4' energy: -29.485
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -17.024
tors. eta vs tors. theta energy: 2.398
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: 10, replica: 5
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -156.050668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.050668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.050668 (E_RNA)
where:
Base-Base interactions energy: -65.468
where: short stacking energy: -57.949
Base-Backbone interact. energy: 0.069
local terms energy: -90.651705
where:
bonds (distance) C4'-P energy: -11.117
bonds (distance) P-C4' energy: -29.304
flat angles C4'-P-C4' energy: -29.905
flat angles P-C4'-P energy: -18.053
tors. eta vs tors. theta energy: -2.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -539.605118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.605118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.605118 (E_RNA)
where:
Base-Base interactions energy: -370.986
where: short stacking energy: -161.701
Base-Backbone interact. energy: -1.035
local terms energy: -167.583864
where:
bonds (distance) C4'-P energy: -31.875
bonds (distance) P-C4' energy: -31.732
flat angles C4'-P-C4' energy: -32.915
flat angles P-C4'-P energy: -26.945
tors. eta vs tors. theta energy: -44.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -518.207931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.207931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.207931 (E_RNA)
where:
Base-Base interactions energy: -343.477
where: short stacking energy: -161.276
Base-Backbone interact. energy: -0.875
local terms energy: -173.855257
where:
bonds (distance) C4'-P energy: -34.667
bonds (distance) P-C4' energy: -30.941
flat angles C4'-P-C4' energy: -30.693
flat angles P-C4'-P energy: -26.884
tors. eta vs tors. theta energy: -50.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -461.544088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.544088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.544088 (E_RNA)
where:
Base-Base interactions energy: -296.263
where: short stacking energy: -147.374
Base-Backbone interact. energy: -1.805
local terms energy: -163.476621
where:
bonds (distance) C4'-P energy: -27.945
bonds (distance) P-C4' energy: -32.287
flat angles C4'-P-C4' energy: -33.865
flat angles P-C4'-P energy: -24.022
tors. eta vs tors. theta energy: -45.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -489.653377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.653377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.653377 (E_RNA)
where:
Base-Base interactions energy: -331.979
where: short stacking energy: -155.352
Base-Backbone interact. energy: 0.586
local terms energy: -158.260488
where:
bonds (distance) C4'-P energy: -29.396
bonds (distance) P-C4' energy: -31.012
flat angles C4'-P-C4' energy: -32.442
flat angles P-C4'-P energy: -23.021
tors. eta vs tors. theta energy: -42.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -433.807125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.807125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.807125 (E_RNA)
where:
Base-Base interactions energy: -278.806
where: short stacking energy: -130.853
Base-Backbone interact. energy: -2.356
local terms energy: -152.645337
where:
bonds (distance) C4'-P energy: -29.984
bonds (distance) P-C4' energy: -32.063
flat angles C4'-P-C4' energy: -32.160
flat angles P-C4'-P energy: -21.651
tors. eta vs tors. theta energy: -36.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -430.452404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.452404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.452404 (E_RNA)
where:
Base-Base interactions energy: -280.884
where: short stacking energy: -138.450
Base-Backbone interact. energy: -1.786
local terms energy: -147.781850
where:
bonds (distance) C4'-P energy: -24.919
bonds (distance) P-C4' energy: -28.308
flat angles C4'-P-C4' energy: -30.646
flat angles P-C4'-P energy: -25.992
tors. eta vs tors. theta energy: -37.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -334.749483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.749483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.749483 (E_RNA)
where:
Base-Base interactions energy: -217.466
where: short stacking energy: -110.312
Base-Backbone interact. energy: -0.267
local terms energy: -117.016270
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -23.631
flat angles C4'-P-C4' energy: -32.943
flat angles P-C4'-P energy: -14.495
tors. eta vs tors. theta energy: -28.925
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: 4
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -322.683665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.683665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.683665 (E_RNA)
where:
Base-Base interactions energy: -208.623
where: short stacking energy: -87.020
Base-Backbone interact. energy: 0.434
local terms energy: -114.494755
where:
bonds (distance) C4'-P energy: -20.790
bonds (distance) P-C4' energy: -36.149
flat angles C4'-P-C4' energy: -24.165
flat angles P-C4'-P energy: -14.740
tors. eta vs tors. theta energy: -18.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -172.533397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.533397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.533397 (E_RNA)
where:
Base-Base interactions energy: -85.686
where: short stacking energy: -52.950
Base-Backbone interact. energy: 4.005
local terms energy: -90.853065
where:
bonds (distance) C4'-P energy: -17.929
bonds (distance) P-C4' energy: -33.743
flat angles C4'-P-C4' energy: -24.251
flat angles P-C4'-P energy: -14.929
tors. eta vs tors. theta energy: -0.000
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: 5
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -168.680565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.680565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.680565 (E_RNA)
where:
Base-Base interactions energy: -60.388
where: short stacking energy: -56.094
Base-Backbone interact. energy: -1.050
local terms energy: -107.243401
where:
bonds (distance) C4'-P energy: -25.924
bonds (distance) P-C4' energy: -35.458
flat angles C4'-P-C4' energy: -24.058
flat angles P-C4'-P energy: -18.188
tors. eta vs tors. theta energy: -3.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -537.338148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.338148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.338148 (E_RNA)
where:
Base-Base interactions energy: -363.451
where: short stacking energy: -155.521
Base-Backbone interact. energy: -0.383
local terms energy: -173.503701
where:
bonds (distance) C4'-P energy: -33.349
bonds (distance) P-C4' energy: -32.229
flat angles C4'-P-C4' energy: -36.038
flat angles P-C4'-P energy: -28.240
tors. eta vs tors. theta energy: -43.648
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: 2
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -524.710205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.710205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.710205 (E_RNA)
where:
Base-Base interactions energy: -358.917
where: short stacking energy: -171.124
Base-Backbone interact. energy: -0.556
local terms energy: -165.236778
where:
bonds (distance) C4'-P energy: -31.812
bonds (distance) P-C4' energy: -28.824
flat angles C4'-P-C4' energy: -36.042
flat angles P-C4'-P energy: -18.473
tors. eta vs tors. theta energy: -50.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -494.605056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.605056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.605056 (E_RNA)
where:
Base-Base interactions energy: -333.305
where: short stacking energy: -151.017
Base-Backbone interact. energy: -1.828
local terms energy: -159.472466
where:
bonds (distance) C4'-P energy: -24.792
bonds (distance) P-C4' energy: -31.369
flat angles C4'-P-C4' energy: -35.941
flat angles P-C4'-P energy: -26.979
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: 4, replica: 7
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -468.886015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.886015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.886015 (E_RNA)
where:
Base-Base interactions energy: -312.467
where: short stacking energy: -151.502
Base-Backbone interact. energy: -0.847
local terms energy: -155.571479
where:
bonds (distance) C4'-P energy: -30.740
bonds (distance) P-C4' energy: -33.421
flat angles C4'-P-C4' energy: -31.995
flat angles P-C4'-P energy: -17.181
tors. eta vs tors. theta energy: -42.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -464.684773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.684773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.684773 (E_RNA)
where:
Base-Base interactions energy: -306.887
where: short stacking energy: -148.425
Base-Backbone interact. energy: -0.344
local terms energy: -157.453584
where:
bonds (distance) C4'-P energy: -34.209
bonds (distance) P-C4' energy: -31.684
flat angles C4'-P-C4' energy: -31.873
flat angles P-C4'-P energy: -15.602
tors. eta vs tors. theta energy: -44.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -413.597194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.597194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.597194 (E_RNA)
where:
Base-Base interactions energy: -272.639
where: short stacking energy: -115.120
Base-Backbone interact. energy: -0.034
local terms energy: -140.924256
where:
bonds (distance) C4'-P energy: -24.453
bonds (distance) P-C4' energy: -32.703
flat angles C4'-P-C4' energy: -29.411
flat angles P-C4'-P energy: -18.248
tors. eta vs tors. theta energy: -36.108
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: 7, replica: 1
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -300.482052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.482052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.482052 (E_RNA)
where:
Base-Base interactions energy: -177.805
where: short stacking energy: -97.766
Base-Backbone interact. energy: -0.483
local terms energy: -122.194078
where:
bonds (distance) C4'-P energy: -25.802
bonds (distance) P-C4' energy: -26.288
flat angles C4'-P-C4' energy: -26.004
flat angles P-C4'-P energy: -21.691
tors. eta vs tors. theta energy: -22.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -328.141831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.141831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.141831 (E_RNA)
where:
Base-Base interactions energy: -218.684
where: short stacking energy: -102.754
Base-Backbone interact. energy: -0.427
local terms energy: -109.030751
where:
bonds (distance) C4'-P energy: -25.528
bonds (distance) P-C4' energy: -35.649
flat angles C4'-P-C4' energy: -22.105
flat angles P-C4'-P energy: -6.061
tors. eta vs tors. theta energy: -19.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -158.616655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.616655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.616655 (E_RNA)
where:
Base-Base interactions energy: -58.782
where: short stacking energy: -56.291
Base-Backbone interact. energy: -0.600
local terms energy: -99.234402
where:
bonds (distance) C4'-P energy: -38.138
bonds (distance) P-C4' energy: -24.517
flat angles C4'-P-C4' energy: -24.076
flat angles P-C4'-P energy: -14.896
tors. eta vs tors. theta energy: 2.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -151.879654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.879654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.879654 (E_RNA)
where:
Base-Base interactions energy: -55.080
where: short stacking energy: -34.028
Base-Backbone interact. energy: -0.541
local terms energy: -96.258278
where:
bonds (distance) C4'-P energy: -29.920
bonds (distance) P-C4' energy: -24.162
flat angles C4'-P-C4' energy: -28.370
flat angles P-C4'-P energy: -18.596
tors. eta vs tors. theta energy: 4.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -540.685637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.685637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.685637 (E_RNA)
where:
Base-Base interactions energy: -382.901
where: short stacking energy: -162.632
Base-Backbone interact. energy: -0.204
local terms energy: -157.581609
where:
bonds (distance) C4'-P energy: -32.184
bonds (distance) P-C4' energy: -29.265
flat angles C4'-P-C4' energy: -32.315
flat angles P-C4'-P energy: -18.859
tors. eta vs tors. theta energy: -44.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -501.312055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.312055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.312055 (E_RNA)
where:
Base-Base interactions energy: -352.749
where: short stacking energy: -151.624
Base-Backbone interact. energy: -0.422
local terms energy: -148.140443
where:
bonds (distance) C4'-P energy: -27.340
bonds (distance) P-C4' energy: -26.575
flat angles C4'-P-C4' energy: -28.663
flat angles P-C4'-P energy: -25.483
tors. eta vs tors. theta energy: -40.080
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: 2
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -511.193536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.193536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.193536 (E_RNA)
where:
Base-Base interactions energy: -343.797
where: short stacking energy: -169.506
Base-Backbone interact. energy: -0.485
local terms energy: -166.911262
where:
bonds (distance) C4'-P energy: -29.666
bonds (distance) P-C4' energy: -28.809
flat angles C4'-P-C4' energy: -32.114
flat angles P-C4'-P energy: -25.750
tors. eta vs tors. theta energy: -50.573
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: 7
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -448.129794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.129794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.129794 (E_RNA)
where:
Base-Base interactions energy: -287.434
where: short stacking energy: -130.077
Base-Backbone interact. energy: 0.160
local terms energy: -160.856471
where:
bonds (distance) C4'-P energy: -33.280
bonds (distance) P-C4' energy: -28.473
flat angles C4'-P-C4' energy: -37.448
flat angles P-C4'-P energy: -20.588
tors. eta vs tors. theta energy: -41.068
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: 3
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -430.112555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.112555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.112555 (E_RNA)
where:
Base-Base interactions energy: -282.622
where: short stacking energy: -137.656
Base-Backbone interact. energy: -1.459
local terms energy: -146.031545
where:
bonds (distance) C4'-P energy: -26.070
bonds (distance) P-C4' energy: -37.142
flat angles C4'-P-C4' energy: -22.277
flat angles P-C4'-P energy: -21.321
tors. eta vs tors. theta energy: -39.221
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: 1
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -344.643882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.643882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.643882 (E_RNA)
where:
Base-Base interactions energy: -213.430
where: short stacking energy: -98.538
Base-Backbone interact. energy: -0.590
local terms energy: -130.623749
where:
bonds (distance) C4'-P energy: -29.297
bonds (distance) P-C4' energy: -29.305
flat angles C4'-P-C4' energy: -26.331
flat angles P-C4'-P energy: -22.038
tors. eta vs tors. theta energy: -23.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -412.993849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.993849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.993849 (E_RNA)
where:
Base-Base interactions energy: -269.451
where: short stacking energy: -137.284
Base-Backbone interact. energy: -0.695
local terms energy: -142.847713
where:
bonds (distance) C4'-P energy: -28.011
bonds (distance) P-C4' energy: -32.619
flat angles C4'-P-C4' energy: -28.783
flat angles P-C4'-P energy: -15.763
tors. eta vs tors. theta energy: -37.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -316.782045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.782045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.782045 (E_RNA)
where:
Base-Base interactions energy: -194.445
where: short stacking energy: -84.561
Base-Backbone interact. energy: 0.973
local terms energy: -123.310813
where:
bonds (distance) C4'-P energy: -28.848
bonds (distance) P-C4' energy: -29.789
flat angles C4'-P-C4' energy: -30.679
flat angles P-C4'-P energy: -19.613
tors. eta vs tors. theta energy: -14.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -162.871609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.871609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.871609 (E_RNA)
where:
Base-Base interactions energy: -67.314
where: short stacking energy: -57.332
Base-Backbone interact. energy: -0.646
local terms energy: -94.911713
where:
bonds (distance) C4'-P energy: -23.334
bonds (distance) P-C4' energy: -25.961
flat angles C4'-P-C4' energy: -26.716
flat angles P-C4'-P energy: -13.585
tors. eta vs tors. theta energy: -5.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -147.817699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.817699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.817699 (E_RNA)
where:
Base-Base interactions energy: -59.216
where: short stacking energy: -43.854
Base-Backbone interact. energy: 3.250
local terms energy: -91.852444
where:
bonds (distance) C4'-P energy: -28.223
bonds (distance) P-C4' energy: -27.001
flat angles C4'-P-C4' energy: -29.249
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: 2.819
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: 6
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -548.502116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.502116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.502116 (E_RNA)
where:
Base-Base interactions energy: -376.637
where: short stacking energy: -164.556
Base-Backbone interact. energy: -0.886
local terms energy: -170.978972
where:
bonds (distance) C4'-P energy: -33.763
bonds (distance) P-C4' energy: -33.415
flat angles C4'-P-C4' energy: -32.917
flat angles P-C4'-P energy: -25.071
tors. eta vs tors. theta energy: -45.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -504.680415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.680415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.680415 (E_RNA)
where:
Base-Base interactions energy: -342.758
where: short stacking energy: -147.064
Base-Backbone interact. energy: -2.219
local terms energy: -159.702860
where:
bonds (distance) C4'-P energy: -21.367
bonds (distance) P-C4' energy: -32.549
flat angles C4'-P-C4' energy: -35.192
flat angles P-C4'-P energy: -26.850
tors. eta vs tors. theta energy: -43.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -513.093260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.093260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.093260 (E_RNA)
where:
Base-Base interactions energy: -346.502
where: short stacking energy: -153.327
Base-Backbone interact. energy: -1.515
local terms energy: -165.076010
where:
bonds (distance) C4'-P energy: -28.197
bonds (distance) P-C4' energy: -33.541
flat angles C4'-P-C4' energy: -36.712
flat angles P-C4'-P energy: -20.542
tors. eta vs tors. theta energy: -46.084
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: 4, replica: 7
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -471.044905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.044905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.044905 (E_RNA)
where:
Base-Base interactions energy: -318.257
where: short stacking energy: -144.017
Base-Backbone interact. energy: -3.139
local terms energy: -149.648145
where:
bonds (distance) C4'-P energy: -23.201
bonds (distance) P-C4' energy: -33.270
flat angles C4'-P-C4' energy: -32.060
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -36.762
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: 5, replica: 3
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -397.235813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.235813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.235813 (E_RNA)
where:
Base-Base interactions energy: -261.163
where: short stacking energy: -120.272
Base-Backbone interact. energy: -0.727
local terms energy: -135.346112
where:
bonds (distance) C4'-P energy: -28.221
bonds (distance) P-C4' energy: -24.017
flat angles C4'-P-C4' energy: -27.228
flat angles P-C4'-P energy: -23.014
tors. eta vs tors. theta energy: -32.866
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: 6, replica: 1
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -331.504814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.504814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.504814 (E_RNA)
where:
Base-Base interactions energy: -186.629
where: short stacking energy: -91.533
Base-Backbone interact. energy: -0.271
local terms energy: -144.605231
where:
bonds (distance) C4'-P energy: -34.133
bonds (distance) P-C4' energy: -32.390
flat angles C4'-P-C4' energy: -27.802
flat angles P-C4'-P energy: -26.229
tors. eta vs tors. theta energy: -24.050
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: 8
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -394.553687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.553687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.553687 (E_RNA)
where:
Base-Base interactions energy: -261.226
where: short stacking energy: -115.927
Base-Backbone interact. energy: -0.531
local terms energy: -132.796774
where:
bonds (distance) C4'-P energy: -28.743
bonds (distance) P-C4' energy: -25.937
flat angles C4'-P-C4' energy: -32.546
flat angles P-C4'-P energy: -13.917
tors. eta vs tors. theta energy: -31.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -336.896690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.896690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.896690 (E_RNA)
where:
Base-Base interactions energy: -205.419
where: short stacking energy: -88.373
Base-Backbone interact. energy: -0.576
local terms energy: -130.901491
where:
bonds (distance) C4'-P energy: -31.190
bonds (distance) P-C4' energy: -31.328
flat angles C4'-P-C4' energy: -29.507
flat angles P-C4'-P energy: -17.960
tors. eta vs tors. theta energy: -20.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -173.874169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.874169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.874169 (E_RNA)
where:
Base-Base interactions energy: -59.590
where: short stacking energy: -51.975
Base-Backbone interact. energy: 1.340
local terms energy: -115.625024
where:
bonds (distance) C4'-P energy: -32.253
bonds (distance) P-C4' energy: -33.818
flat angles C4'-P-C4' energy: -28.562
flat angles P-C4'-P energy: -18.689
tors. eta vs tors. theta energy: -2.303
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: 5
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -163.524297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.524297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.524297 (E_RNA)
where:
Base-Base interactions energy: -66.253
where: short stacking energy: -37.898
Base-Backbone interact. energy: -0.478
local terms energy: -96.792796
where:
bonds (distance) C4'-P energy: -25.485
bonds (distance) P-C4' energy: -30.883
flat angles C4'-P-C4' energy: -26.353
flat angles P-C4'-P energy: -15.338
tors. eta vs tors. theta energy: 1.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -539.237025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.237025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.237025 (E_RNA)
where:
Base-Base interactions energy: -370.271
where: short stacking energy: -169.400
Base-Backbone interact. energy: -1.442
local terms energy: -167.524426
where:
bonds (distance) C4'-P energy: -29.198
bonds (distance) P-C4' energy: -34.951
flat angles C4'-P-C4' energy: -36.603
flat angles P-C4'-P energy: -21.504
tors. eta vs tors. theta energy: -45.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -501.972281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.972281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.972281 (E_RNA)
where:
Base-Base interactions energy: -349.683
where: short stacking energy: -151.505
Base-Backbone interact. energy: -0.009
local terms energy: -152.280289
where:
bonds (distance) C4'-P energy: -34.751
bonds (distance) P-C4' energy: -21.600
flat angles C4'-P-C4' energy: -35.469
flat angles P-C4'-P energy: -20.077
tors. eta vs tors. theta energy: -40.383
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: 3, replica: 2
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -493.290206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.290206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.290206 (E_RNA)
where:
Base-Base interactions energy: -328.282
where: short stacking energy: -150.775
Base-Backbone interact. energy: -0.388
local terms energy: -164.620599
where:
bonds (distance) C4'-P energy: -28.477
bonds (distance) P-C4' energy: -31.964
flat angles C4'-P-C4' energy: -34.783
flat angles P-C4'-P energy: -22.035
tors. eta vs tors. theta energy: -47.362
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: 7
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -464.078191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.078191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.078191 (E_RNA)
where:
Base-Base interactions energy: -302.153
where: short stacking energy: -135.307
Base-Backbone interact. energy: -0.373
local terms energy: -161.552787
where:
bonds (distance) C4'-P energy: -27.145
bonds (distance) P-C4' energy: -33.748
flat angles C4'-P-C4' energy: -33.248
flat angles P-C4'-P energy: -26.480
tors. eta vs tors. theta energy: -40.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -408.902494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.902494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.902494 (E_RNA)
where:
Base-Base interactions energy: -269.837
where: short stacking energy: -139.663
Base-Backbone interact. energy: -0.124
local terms energy: -138.941265
where:
bonds (distance) C4'-P energy: -27.888
bonds (distance) P-C4' energy: -33.614
flat angles C4'-P-C4' energy: -27.190
flat angles P-C4'-P energy: -13.882
tors. eta vs tors. theta energy: -36.367
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: 6, replica: 8
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -414.758589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.758589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.758589 (E_RNA)
where:
Base-Base interactions energy: -278.328
where: short stacking energy: -128.914
Base-Backbone interact. energy: -0.381
local terms energy: -136.049635
where:
bonds (distance) C4'-P energy: -28.584
bonds (distance) P-C4' energy: -31.665
flat angles C4'-P-C4' energy: -24.385
flat angles P-C4'-P energy: -19.183
tors. eta vs tors. theta energy: -32.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -330.379747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.379747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.379747 (E_RNA)
where:
Base-Base interactions energy: -201.109
where: short stacking energy: -105.612
Base-Backbone interact. energy: -0.201
local terms energy: -129.069991
where:
bonds (distance) C4'-P energy: -29.649
bonds (distance) P-C4' energy: -30.919
flat angles C4'-P-C4' energy: -28.201
flat angles P-C4'-P energy: -18.211
tors. eta vs tors. theta energy: -22.091
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: 4
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -342.671937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.671937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.671937 (E_RNA)
where:
Base-Base interactions energy: -202.577
where: short stacking energy: -92.819
Base-Backbone interact. energy: 0.142
local terms energy: -140.236936
where:
bonds (distance) C4'-P energy: -26.210
bonds (distance) P-C4' energy: -32.232
flat angles C4'-P-C4' energy: -34.226
flat angles P-C4'-P energy: -19.969
tors. eta vs tors. theta energy: -27.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -169.685993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.685993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.685993 (E_RNA)
where:
Base-Base interactions energy: -74.962
where: short stacking energy: -63.336
Base-Backbone interact. energy: -0.306
local terms energy: -94.418361
where:
bonds (distance) C4'-P energy: -28.226
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -28.971
flat angles P-C4'-P energy: -12.690
tors. eta vs tors. theta energy: -9.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -174.570679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.570679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.570679 (E_RNA)
where:
Base-Base interactions energy: -86.178
where: short stacking energy: -56.552
Base-Backbone interact. energy: 0.572
local terms energy: -88.964691
where:
bonds (distance) C4'-P energy: -14.382
bonds (distance) P-C4' energy: -30.314
flat angles C4'-P-C4' energy: -29.135
flat angles P-C4'-P energy: -15.284
tors. eta vs tors. theta energy: 0.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -544.767162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.767162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.767162 (E_RNA)
where:
Base-Base interactions energy: -366.712
where: short stacking energy: -166.029
Base-Backbone interact. energy: -0.080
local terms energy: -177.974904
where:
bonds (distance) C4'-P energy: -30.621
bonds (distance) P-C4' energy: -33.446
flat angles C4'-P-C4' energy: -36.443
flat angles P-C4'-P energy: -29.684
tors. eta vs tors. theta energy: -47.780
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: 10
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -513.449743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.449743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.449743 (E_RNA)
where:
Base-Base interactions energy: -348.919
where: short stacking energy: -158.773
Base-Backbone interact. energy: -1.892
local terms energy: -162.638181
where:
bonds (distance) C4'-P energy: -35.709
bonds (distance) P-C4' energy: -21.932
flat angles C4'-P-C4' energy: -35.797
flat angles P-C4'-P energy: -28.751
tors. eta vs tors. theta energy: -40.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -502.627141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.627141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.627141 (E_RNA)
where:
Base-Base interactions energy: -340.442
where: short stacking energy: -167.655
Base-Backbone interact. energy: -0.370
local terms energy: -161.815371
where:
bonds (distance) C4'-P energy: -26.152
bonds (distance) P-C4' energy: -28.312
flat angles C4'-P-C4' energy: -34.817
flat angles P-C4'-P energy: -24.668
tors. eta vs tors. theta energy: -47.867
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: 7
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -471.711472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.711472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.711472 (E_RNA)
where:
Base-Base interactions energy: -317.581
where: short stacking energy: -154.748
Base-Backbone interact. energy: -0.724
local terms energy: -153.406090
where:
bonds (distance) C4'-P energy: -26.215
bonds (distance) P-C4' energy: -27.121
flat angles C4'-P-C4' energy: -35.732
flat angles P-C4'-P energy: -16.816
tors. eta vs tors. theta energy: -47.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -433.571640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.571640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.571640 (E_RNA)
where:
Base-Base interactions energy: -286.987
where: short stacking energy: -124.641
Base-Backbone interact. energy: -0.819
local terms energy: -145.765539
where:
bonds (distance) C4'-P energy: -30.874
bonds (distance) P-C4' energy: -26.994
flat angles C4'-P-C4' energy: -33.997
flat angles P-C4'-P energy: -15.615
tors. eta vs tors. theta energy: -38.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -412.140258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.140258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.140258 (E_RNA)
where:
Base-Base interactions energy: -255.284
where: short stacking energy: -108.788
Base-Backbone interact. energy: -0.742
local terms energy: -156.113877
where:
bonds (distance) C4'-P energy: -29.025
bonds (distance) P-C4' energy: -34.618
flat angles C4'-P-C4' energy: -37.813
flat angles P-C4'-P energy: -21.116
tors. eta vs tors. theta energy: -33.543
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: 408
Temperature: 1.200000
Total energy: -399.463935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.463935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.463935 (E_RNA)
where:
Base-Base interactions energy: -247.064
where: short stacking energy: -99.139
Base-Backbone interact. energy: -1.327
local terms energy: -151.072588
where:
bonds (distance) C4'-P energy: -31.148
bonds (distance) P-C4' energy: -31.357
flat angles C4'-P-C4' energy: -32.893
flat angles P-C4'-P energy: -20.797
tors. eta vs tors. theta energy: -34.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -305.494321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.494321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.494321 (E_RNA)
where:
Base-Base interactions energy: -188.144
where: short stacking energy: -93.218
Base-Backbone interact. energy: -1.141
local terms energy: -116.209619
where:
bonds (distance) C4'-P energy: -23.367
bonds (distance) P-C4' energy: -30.938
flat angles C4'-P-C4' energy: -19.909
flat angles P-C4'-P energy: -21.960
tors. eta vs tors. theta energy: -20.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -158.160111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.160111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.160111 (E_RNA)
where:
Base-Base interactions energy: -66.478
where: short stacking energy: -52.478
Base-Backbone interact. energy: 1.459
local terms energy: -93.140914
where:
bonds (distance) C4'-P energy: -27.559
bonds (distance) P-C4' energy: -32.746
flat angles C4'-P-C4' energy: -17.980
flat angles P-C4'-P energy: -14.501
tors. eta vs tors. theta energy: -0.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -158.020669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.020669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.020669 (E_RNA)
where:
Base-Base interactions energy: -64.493
where: short stacking energy: -43.796
Base-Backbone interact. energy: -0.453
local terms energy: -93.074784
where:
bonds (distance) C4'-P energy: -28.239
bonds (distance) P-C4' energy: -26.401
flat angles C4'-P-C4' energy: -27.499
flat angles P-C4'-P energy: -12.769
tors. eta vs tors. theta energy: 1.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -543.000655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.000655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.000655 (E_RNA)
where:
Base-Base interactions energy: -364.989
where: short stacking energy: -171.272
Base-Backbone interact. energy: -0.077
local terms energy: -177.935067
where:
bonds (distance) C4'-P energy: -27.277
bonds (distance) P-C4' energy: -27.159
flat angles C4'-P-C4' energy: -42.179
flat angles P-C4'-P energy: -27.990
tors. eta vs tors. theta energy: -53.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -500.491225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.491225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.491225 (E_RNA)
where:
Base-Base interactions energy: -345.474
where: short stacking energy: -145.455
Base-Backbone interact. energy: -1.451
local terms energy: -153.566087
where:
bonds (distance) C4'-P energy: -33.601
bonds (distance) P-C4' energy: -35.361
flat angles C4'-P-C4' energy: -30.970
flat angles P-C4'-P energy: -16.763
tors. eta vs tors. theta energy: -36.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -526.711101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.711101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.711101 (E_RNA)
where:
Base-Base interactions energy: -353.865
where: short stacking energy: -170.260
Base-Backbone interact. energy: -0.052
local terms energy: -172.794188
where:
bonds (distance) C4'-P energy: -32.276
bonds (distance) P-C4' energy: -28.829
flat angles C4'-P-C4' energy: -35.642
flat angles P-C4'-P energy: -24.111
tors. eta vs tors. theta energy: -51.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -464.316025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.316025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.316025 (E_RNA)
where:
Base-Base interactions energy: -307.140
where: short stacking energy: -140.482
Base-Backbone interact. energy: -1.562
local terms energy: -155.613611
where:
bonds (distance) C4'-P energy: -25.628
bonds (distance) P-C4' energy: -32.804
flat angles C4'-P-C4' energy: -35.061
flat angles P-C4'-P energy: -16.243
tors. eta vs tors. theta energy: -45.878
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: 409
Temperature: 1.100000
Total energy: -440.636090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.636090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.636090 (E_RNA)
where:
Base-Base interactions energy: -292.574
where: short stacking energy: -139.084
Base-Backbone interact. energy: -2.277
local terms energy: -145.784409
where:
bonds (distance) C4'-P energy: -20.666
bonds (distance) P-C4' energy: -33.716
flat angles C4'-P-C4' energy: -29.257
flat angles P-C4'-P energy: -22.859
tors. eta vs tors. theta energy: -39.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -427.078888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.078888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.078888 (E_RNA)
where:
Base-Base interactions energy: -288.224
where: short stacking energy: -130.447
Base-Backbone interact. energy: -1.400
local terms energy: -137.454207
where:
bonds (distance) C4'-P energy: -25.720
bonds (distance) P-C4' energy: -32.664
flat angles C4'-P-C4' energy: -27.544
flat angles P-C4'-P energy: -18.256
tors. eta vs tors. theta energy: -33.270
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: 409
Temperature: 1.200000
Total energy: -378.017321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.017321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.017321 (E_RNA)
where:
Base-Base interactions energy: -250.099
where: short stacking energy: -107.550
Base-Backbone interact. energy: 2.707
local terms energy: -130.625577
where:
bonds (distance) C4'-P energy: -28.081
bonds (distance) P-C4' energy: -26.308
flat angles C4'-P-C4' energy: -28.245
flat angles P-C4'-P energy: -17.169
tors. eta vs tors. theta energy: -30.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -305.446712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.446712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.446712 (E_RNA)
where:
Base-Base interactions energy: -193.636
where: short stacking energy: -110.045
Base-Backbone interact. energy: -0.294
local terms energy: -111.517365
where:
bonds (distance) C4'-P energy: -19.990
bonds (distance) P-C4' energy: -24.601
flat angles C4'-P-C4' energy: -27.246
flat angles P-C4'-P energy: -13.863
tors. eta vs tors. theta energy: -25.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -166.433517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.433517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.433517 (E_RNA)
where:
Base-Base interactions energy: -62.167
where: short stacking energy: -39.472
Base-Backbone interact. energy: -2.595
local terms energy: -101.671035
where:
bonds (distance) C4'-P energy: -28.149
bonds (distance) P-C4' energy: -26.495
flat angles C4'-P-C4' energy: -29.975
flat angles P-C4'-P energy: -20.147
tors. eta vs tors. theta energy: 3.095
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: 9
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -155.568058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.568058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.568058 (E_RNA)
where:
Base-Base interactions energy: -64.121
where: short stacking energy: -56.695
Base-Backbone interact. energy: -0.256
local terms energy: -91.191664
where:
bonds (distance) C4'-P energy: -20.043
bonds (distance) P-C4' energy: -20.256
flat angles C4'-P-C4' energy: -29.936
flat angles P-C4'-P energy: -20.524
tors. eta vs tors. theta energy: -0.433
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: 10
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -524.414001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.414001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.414001 (E_RNA)
where:
Base-Base interactions energy: -367.583
where: short stacking energy: -167.631
Base-Backbone interact. energy: -2.237
local terms energy: -154.593561
where:
bonds (distance) C4'-P energy: -29.314
bonds (distance) P-C4' energy: -32.195
flat angles C4'-P-C4' energy: -31.868
flat angles P-C4'-P energy: -23.708
tors. eta vs tors. theta energy: -37.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -541.856821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.856821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.856821 (E_RNA)
where:
Base-Base interactions energy: -370.386
where: short stacking energy: -169.262
Base-Backbone interact. energy: -0.317
local terms energy: -171.153515
where:
bonds (distance) C4'-P energy: -28.448
bonds (distance) P-C4' energy: -33.659
flat angles C4'-P-C4' energy: -34.323
flat angles P-C4'-P energy: -26.108
tors. eta vs tors. theta energy: -48.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -485.447103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.447103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.447103 (E_RNA)
where:
Base-Base interactions energy: -327.584
where: short stacking energy: -169.703
Base-Backbone interact. energy: -1.068
local terms energy: -156.794833
where:
bonds (distance) C4'-P energy: -27.916
bonds (distance) P-C4' energy: -22.884
flat angles C4'-P-C4' energy: -35.906
flat angles P-C4'-P energy: -22.217
tors. eta vs tors. theta energy: -47.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -512.850313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.850313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.850313 (E_RNA)
where:
Base-Base interactions energy: -345.945
where: short stacking energy: -158.228
Base-Backbone interact. energy: -0.102
local terms energy: -166.803694
where:
bonds (distance) C4'-P energy: -31.679
bonds (distance) P-C4' energy: -30.830
flat angles C4'-P-C4' energy: -33.451
flat angles P-C4'-P energy: -25.844
tors. eta vs tors. theta energy: -44.999
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: 4
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -470.193977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.193977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.193977 (E_RNA)
where:
Base-Base interactions energy: -317.188
where: short stacking energy: -145.145
Base-Backbone interact. energy: -0.097
local terms energy: -152.909298
where:
bonds (distance) C4'-P energy: -29.909
bonds (distance) P-C4' energy: -31.604
flat angles C4'-P-C4' energy: -26.533
flat angles P-C4'-P energy: -21.328
tors. eta vs tors. theta energy: -43.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -414.429415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.429415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.429415 (E_RNA)
where:
Base-Base interactions energy: -275.238
where: short stacking energy: -128.047
Base-Backbone interact. energy: 0.928
local terms energy: -140.119044
where:
bonds (distance) C4'-P energy: -18.854
bonds (distance) P-C4' energy: -32.803
flat angles C4'-P-C4' energy: -33.809
flat angles P-C4'-P energy: -20.090
tors. eta vs tors. theta energy: -34.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -324.639586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.639586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.639586 (E_RNA)
where:
Base-Base interactions energy: -191.814
where: short stacking energy: -99.328
Base-Backbone interact. energy: -0.042
local terms energy: -132.784114
where:
bonds (distance) C4'-P energy: -31.985
bonds (distance) P-C4' energy: -30.007
flat angles C4'-P-C4' energy: -29.164
flat angles P-C4'-P energy: -18.203
tors. eta vs tors. theta energy: -23.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -317.602145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.602145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.602145 (E_RNA)
where:
Base-Base interactions energy: -200.856
where: short stacking energy: -101.789
Base-Backbone interact. energy: 1.961
local terms energy: -118.707004
where:
bonds (distance) C4'-P energy: -24.026
bonds (distance) P-C4' energy: -27.260
flat angles C4'-P-C4' energy: -29.680
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: -25.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -162.408992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.408992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.408992 (E_RNA)
where:
Base-Base interactions energy: -51.098
where: short stacking energy: -36.350
Base-Backbone interact. energy: 0.017
local terms energy: -111.327522
where:
bonds (distance) C4'-P energy: -28.666
bonds (distance) P-C4' energy: -29.729
flat angles C4'-P-C4' energy: -32.052
flat angles P-C4'-P energy: -16.118
tors. eta vs tors. theta energy: -4.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -166.521617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.521617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.521617 (E_RNA)
where:
Base-Base interactions energy: -84.103
where: short stacking energy: -41.167
Base-Backbone interact. energy: -0.624
local terms energy: -81.794428
where:
bonds (distance) C4'-P energy: -25.488
bonds (distance) P-C4' energy: -28.964
flat angles C4'-P-C4' energy: -18.587
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -1.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -521.144319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.144319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.144319 (E_RNA)
where:
Base-Base interactions energy: -355.840
where: short stacking energy: -158.019
Base-Backbone interact. energy: -1.312
local terms energy: -163.992567
where:
bonds (distance) C4'-P energy: -33.511
bonds (distance) P-C4' energy: -33.546
flat angles C4'-P-C4' energy: -35.994
flat angles P-C4'-P energy: -19.107
tors. eta vs tors. theta energy: -41.835
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: 6
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -533.503117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.503117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.503117 (E_RNA)
where:
Base-Base interactions energy: -368.801
where: short stacking energy: -166.239
Base-Backbone interact. energy: -1.304
local terms energy: -163.398882
where:
bonds (distance) C4'-P energy: -26.519
bonds (distance) P-C4' energy: -34.463
flat angles C4'-P-C4' energy: -33.076
flat angles P-C4'-P energy: -23.321
tors. eta vs tors. theta energy: -46.021
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: 411
Temperature: 1.000000
Total energy: -469.852940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.852940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.852940 (E_RNA)
where:
Base-Base interactions energy: -318.204
where: short stacking energy: -133.444
Base-Backbone interact. energy: -0.650
local terms energy: -150.998195
where:
bonds (distance) C4'-P energy: -32.320
bonds (distance) P-C4' energy: -24.026
flat angles C4'-P-C4' energy: -30.125
flat angles P-C4'-P energy: -26.864
tors. eta vs tors. theta energy: -37.663
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: 2
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -504.555794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.555794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.555794 (E_RNA)
where:
Base-Base interactions energy: -351.142
where: short stacking energy: -152.187
Base-Backbone interact. energy: 0.143
local terms energy: -153.556906
where:
bonds (distance) C4'-P energy: -28.403
bonds (distance) P-C4' energy: -28.439
flat angles C4'-P-C4' energy: -35.298
flat angles P-C4'-P energy: -14.914
tors. eta vs tors. theta energy: -46.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -459.693365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.693365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.693365 (E_RNA)
where:
Base-Base interactions energy: -301.310
where: short stacking energy: -144.682
Base-Backbone interact. energy: -0.364
local terms energy: -158.018878
where:
bonds (distance) C4'-P energy: -27.589
bonds (distance) P-C4' energy: -35.093
flat angles C4'-P-C4' energy: -36.095
flat angles P-C4'-P energy: -18.410
tors. eta vs tors. theta energy: -40.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -408.587251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.587251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.587251 (E_RNA)
where:
Base-Base interactions energy: -266.702
where: short stacking energy: -116.335
Base-Backbone interact. energy: -1.389
local terms energy: -140.496511
where:
bonds (distance) C4'-P energy: -29.635
bonds (distance) P-C4' energy: -26.913
flat angles C4'-P-C4' energy: -30.879
flat angles P-C4'-P energy: -22.691
tors. eta vs tors. theta energy: -30.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -320.122299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.122299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.122299 (E_RNA)
where:
Base-Base interactions energy: -182.168
where: short stacking energy: -89.068
Base-Backbone interact. energy: 0.509
local terms energy: -138.463330
where:
bonds (distance) C4'-P energy: -37.269
bonds (distance) P-C4' energy: -25.920
flat angles C4'-P-C4' energy: -30.611
flat angles P-C4'-P energy: -21.101
tors. eta vs tors. theta energy: -23.561
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: 8, replica: 1
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -316.906858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.906858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.906858 (E_RNA)
where:
Base-Base interactions energy: -209.712
where: short stacking energy: -105.217
Base-Backbone interact. energy: 0.953
local terms energy: -108.147453
where:
bonds (distance) C4'-P energy: -20.952
bonds (distance) P-C4' energy: -28.365
flat angles C4'-P-C4' energy: -24.730
flat angles P-C4'-P energy: -19.955
tors. eta vs tors. theta energy: -14.146
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: 9, replica: 5
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -170.313745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.313745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.313745 (E_RNA)
where:
Base-Base interactions energy: -65.469
where: short stacking energy: -53.200
Base-Backbone interact. energy: -1.412
local terms energy: -103.432617
where:
bonds (distance) C4'-P energy: -23.549
bonds (distance) P-C4' energy: -32.109
flat angles C4'-P-C4' energy: -31.678
flat angles P-C4'-P energy: -14.465
tors. eta vs tors. theta energy: -1.632
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: 10, replica: 9
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -158.457342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.457342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.457342 (E_RNA)
where:
Base-Base interactions energy: -73.238
where: short stacking energy: -52.278
Base-Backbone interact. energy: -0.145
local terms energy: -85.074174
where:
bonds (distance) C4'-P energy: -30.590
bonds (distance) P-C4' energy: -26.716
flat angles C4'-P-C4' energy: -21.628
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: 5.525
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: 6
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -556.632963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.632963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.632963 (E_RNA)
where:
Base-Base interactions energy: -371.454
where: short stacking energy: -163.726
Base-Backbone interact. energy: -0.469
local terms energy: -184.709750
where:
bonds (distance) C4'-P energy: -32.662
bonds (distance) P-C4' energy: -35.905
flat angles C4'-P-C4' energy: -37.986
flat angles P-C4'-P energy: -26.747
tors. eta vs tors. theta energy: -51.410
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: 2, replica: 10
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -520.671272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.671272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.671272 (E_RNA)
where:
Base-Base interactions energy: -350.615
where: short stacking energy: -164.861
Base-Backbone interact. energy: -1.434
local terms energy: -168.621722
where:
bonds (distance) C4'-P energy: -29.211
bonds (distance) P-C4' energy: -27.350
flat angles C4'-P-C4' energy: -40.559
flat angles P-C4'-P energy: -22.792
tors. eta vs tors. theta energy: -48.710
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: 2
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -511.019587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.019587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.019587 (E_RNA)
where:
Base-Base interactions energy: -345.929
where: short stacking energy: -157.767
Base-Backbone interact. energy: -1.159
local terms energy: -163.932316
where:
bonds (distance) C4'-P energy: -25.723
bonds (distance) P-C4' energy: -27.928
flat angles C4'-P-C4' energy: -35.271
flat angles P-C4'-P energy: -25.255
tors. eta vs tors. theta energy: -49.755
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: 412
Temperature: 1.050000
Total energy: -464.718777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.718777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.718777 (E_RNA)
where:
Base-Base interactions energy: -318.455
where: short stacking energy: -142.790
Base-Backbone interact. energy: -1.760
local terms energy: -144.504375
where:
bonds (distance) C4'-P energy: -25.196
bonds (distance) P-C4' energy: -32.405
flat angles C4'-P-C4' energy: -31.023
flat angles P-C4'-P energy: -19.067
tors. eta vs tors. theta energy: -36.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -449.329596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.329596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.329596 (E_RNA)
where:
Base-Base interactions energy: -305.884
where: short stacking energy: -133.499
Base-Backbone interact. energy: -0.198
local terms energy: -143.247556
where:
bonds (distance) C4'-P energy: -30.001
bonds (distance) P-C4' energy: -24.315
flat angles C4'-P-C4' energy: -33.582
flat angles P-C4'-P energy: -21.673
tors. eta vs tors. theta energy: -33.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -405.090330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.090330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.090330 (E_RNA)
where:
Base-Base interactions energy: -264.123
where: short stacking energy: -119.059
Base-Backbone interact. energy: -0.874
local terms energy: -140.093514
where:
bonds (distance) C4'-P energy: -22.108
bonds (distance) P-C4' energy: -33.601
flat angles C4'-P-C4' energy: -30.356
flat angles P-C4'-P energy: -16.536
tors. eta vs tors. theta energy: -37.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -329.929234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.929234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.929234 (E_RNA)
where:
Base-Base interactions energy: -195.758
where: short stacking energy: -99.960
Base-Backbone interact. energy: -0.515
local terms energy: -133.656302
where:
bonds (distance) C4'-P energy: -26.046
bonds (distance) P-C4' energy: -33.979
flat angles C4'-P-C4' energy: -32.829
flat angles P-C4'-P energy: -15.673
tors. eta vs tors. theta energy: -25.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -327.470364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.470364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.470364 (E_RNA)
where:
Base-Base interactions energy: -194.654
where: short stacking energy: -103.879
Base-Backbone interact. energy: -0.618
local terms energy: -132.197960
where:
bonds (distance) C4'-P energy: -27.521
bonds (distance) P-C4' energy: -35.611
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -22.280
tors. eta vs tors. theta energy: -31.234
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: 9, replica: 5
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -154.994526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.994526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.994526 (E_RNA)
where:
Base-Base interactions energy: -68.791
where: short stacking energy: -60.579
Base-Backbone interact. energy: -0.440
local terms energy: -85.763552
where:
bonds (distance) C4'-P energy: -22.806
bonds (distance) P-C4' energy: -23.780
flat angles C4'-P-C4' energy: -26.440
flat angles P-C4'-P energy: -12.945
tors. eta vs tors. theta energy: 0.207
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: 10, replica: 9
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -154.662137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.662137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.662137 (E_RNA)
where:
Base-Base interactions energy: -57.635
where: short stacking energy: -44.596
Base-Backbone interact. energy: 1.040
local terms energy: -98.067452
where:
bonds (distance) C4'-P energy: -27.896
bonds (distance) P-C4' energy: -29.558
flat angles C4'-P-C4' energy: -22.531
flat angles P-C4'-P energy: -14.483
tors. eta vs tors. theta energy: -3.599
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: 1, replica: 6
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -552.893797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.893797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.893797 (E_RNA)
where:
Base-Base interactions energy: -388.142
where: short stacking energy: -176.071
Base-Backbone interact. energy: -0.066
local terms energy: -164.685406
where:
bonds (distance) C4'-P energy: -31.111
bonds (distance) P-C4' energy: -25.722
flat angles C4'-P-C4' energy: -36.343
flat angles P-C4'-P energy: -23.513
tors. eta vs tors. theta energy: -47.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -528.171132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.171132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.171132 (E_RNA)
where:
Base-Base interactions energy: -366.857
where: short stacking energy: -170.216
Base-Backbone interact. energy: -0.012
local terms energy: -161.302109
where:
bonds (distance) C4'-P energy: -31.008
bonds (distance) P-C4' energy: -29.643
flat angles C4'-P-C4' energy: -32.121
flat angles P-C4'-P energy: -18.329
tors. eta vs tors. theta energy: -50.201
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: 413
Temperature: 1.000000
Total energy: -521.729835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.729835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.729835 (E_RNA)
where:
Base-Base interactions energy: -351.795
where: short stacking energy: -151.444
Base-Backbone interact. energy: -1.332
local terms energy: -168.602657
where:
bonds (distance) C4'-P energy: -31.047
bonds (distance) P-C4' energy: -34.559
flat angles C4'-P-C4' energy: -34.483
flat angles P-C4'-P energy: -21.560
tors. eta vs tors. theta energy: -46.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -453.356726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.356726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.356726 (E_RNA)
where:
Base-Base interactions energy: -290.787
where: short stacking energy: -150.521
Base-Backbone interact. energy: -0.775
local terms energy: -161.794309
where:
bonds (distance) C4'-P energy: -29.661
bonds (distance) P-C4' energy: -34.579
flat angles C4'-P-C4' energy: -28.806
flat angles P-C4'-P energy: -18.627
tors. eta vs tors. theta energy: -50.120
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: 4
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -463.861321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.861321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.861321 (E_RNA)
where:
Base-Base interactions energy: -302.778
where: short stacking energy: -143.831
Base-Backbone interact. energy: -0.129
local terms energy: -160.954299
where:
bonds (distance) C4'-P energy: -33.749
bonds (distance) P-C4' energy: -31.279
flat angles C4'-P-C4' energy: -39.185
flat angles P-C4'-P energy: -21.165
tors. eta vs tors. theta energy: -35.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -344.529013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.529013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.529013 (E_RNA)
where:
Base-Base interactions energy: -216.708
where: short stacking energy: -105.816
Base-Backbone interact. energy: -1.246
local terms energy: -126.575307
where:
bonds (distance) C4'-P energy: -29.867
bonds (distance) P-C4' energy: -28.660
flat angles C4'-P-C4' energy: -29.513
flat angles P-C4'-P energy: -20.116
tors. eta vs tors. theta energy: -18.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -353.520416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.520416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.520416 (E_RNA)
where:
Base-Base interactions energy: -236.534
where: short stacking energy: -99.673
Base-Backbone interact. energy: -0.087
local terms energy: -116.899607
where:
bonds (distance) C4'-P energy: -23.731
bonds (distance) P-C4' energy: -23.519
flat angles C4'-P-C4' energy: -21.416
flat angles P-C4'-P energy: -22.887
tors. eta vs tors. theta energy: -25.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -320.156736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.156736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.156736 (E_RNA)
where:
Base-Base interactions energy: -189.160
where: short stacking energy: -99.091
Base-Backbone interact. energy: -0.490
local terms energy: -130.506755
where:
bonds (distance) C4'-P energy: -19.582
bonds (distance) P-C4' energy: -30.154
flat angles C4'-P-C4' energy: -32.678
flat angles P-C4'-P energy: -25.851
tors. eta vs tors. theta energy: -22.241
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: 5
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -166.516909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.516909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.516909 (E_RNA)
where:
Base-Base interactions energy: -59.855
where: short stacking energy: -55.311
Base-Backbone interact. energy: -0.568
local terms energy: -106.094260
where:
bonds (distance) C4'-P energy: -30.571
bonds (distance) P-C4' energy: -32.057
flat angles C4'-P-C4' energy: -22.948
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -10.395
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: 9
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -163.832800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.832800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.832800 (E_RNA)
where:
Base-Base interactions energy: -55.742
where: short stacking energy: -51.780
Base-Backbone interact. energy: -0.314
local terms energy: -107.776621
where:
bonds (distance) C4'-P energy: -26.393
bonds (distance) P-C4' energy: -30.557
flat angles C4'-P-C4' energy: -26.424
flat angles P-C4'-P energy: -21.596
tors. eta vs tors. theta energy: -2.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -518.763848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.763848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.763848 (E_RNA)
where:
Base-Base interactions energy: -355.924
where: short stacking energy: -158.382
Base-Backbone interact. energy: 1.349
local terms energy: -164.188900
where:
bonds (distance) C4'-P energy: -28.859
bonds (distance) P-C4' energy: -26.347
flat angles C4'-P-C4' energy: -35.972
flat angles P-C4'-P energy: -24.452
tors. eta vs tors. theta energy: -48.559
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: 414
Temperature: 0.950000
Total energy: -538.326502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.326502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.326502 (E_RNA)
where:
Base-Base interactions energy: -374.037
where: short stacking energy: -172.096
Base-Backbone interact. energy: -0.556
local terms energy: -163.733507
where:
bonds (distance) C4'-P energy: -25.362
bonds (distance) P-C4' energy: -33.284
flat angles C4'-P-C4' energy: -34.720
flat angles P-C4'-P energy: -21.652
tors. eta vs tors. theta energy: -48.715
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: 7
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -464.198514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.198514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.198514 (E_RNA)
where:
Base-Base interactions energy: -299.713
where: short stacking energy: -142.543
Base-Backbone interact. energy: -0.877
local terms energy: -163.609049
where:
bonds (distance) C4'-P energy: -28.223
bonds (distance) P-C4' energy: -33.045
flat angles C4'-P-C4' energy: -30.734
flat angles P-C4'-P energy: -27.925
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: 4, replica: 10
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -507.356165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.356165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.356165 (E_RNA)
where:
Base-Base interactions energy: -353.970
where: short stacking energy: -156.662
Base-Backbone interact. energy: -0.946
local terms energy: -152.440719
where:
bonds (distance) C4'-P energy: -25.954
bonds (distance) P-C4' energy: -26.528
flat angles C4'-P-C4' energy: -36.760
flat angles P-C4'-P energy: -21.791
tors. eta vs tors. theta energy: -41.407
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: 5, replica: 4
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -436.831943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.831943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.831943 (E_RNA)
where:
Base-Base interactions energy: -298.966
where: short stacking energy: -138.444
Base-Backbone interact. energy: -0.304
local terms energy: -137.561983
where:
bonds (distance) C4'-P energy: -24.305
bonds (distance) P-C4' energy: -34.625
flat angles C4'-P-C4' energy: -30.146
flat angles P-C4'-P energy: -12.388
tors. eta vs tors. theta energy: -36.098
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: 8
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -346.828139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.828139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.828139 (E_RNA)
where:
Base-Base interactions energy: -210.230
where: short stacking energy: -113.716
Base-Backbone interact. energy: -0.120
local terms energy: -136.478361
where:
bonds (distance) C4'-P energy: -28.695
bonds (distance) P-C4' energy: -32.784
flat angles C4'-P-C4' energy: -32.675
flat angles P-C4'-P energy: -19.876
tors. eta vs tors. theta energy: -22.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -324.940877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.940877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.940877 (E_RNA)
where:
Base-Base interactions energy: -200.909
where: short stacking energy: -101.229
Base-Backbone interact. energy: -0.698
local terms energy: -123.333238
where:
bonds (distance) C4'-P energy: -26.417
bonds (distance) P-C4' energy: -30.848
flat angles C4'-P-C4' energy: -27.427
flat angles P-C4'-P energy: -16.135
tors. eta vs tors. theta energy: -22.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -321.680752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.680752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.680752 (E_RNA)
where:
Base-Base interactions energy: -190.448
where: short stacking energy: -96.544
Base-Backbone interact. energy: -0.345
local terms energy: -130.887956
where:
bonds (distance) C4'-P energy: -34.090
bonds (distance) P-C4' energy: -33.337
flat angles C4'-P-C4' energy: -32.411
flat angles P-C4'-P energy: -20.144
tors. eta vs tors. theta energy: -10.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -176.512104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.512104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.512104 (E_RNA)
where:
Base-Base interactions energy: -76.823
where: short stacking energy: -64.463
Base-Backbone interact. energy: -1.030
local terms energy: -98.658917
where:
bonds (distance) C4'-P energy: -24.681
bonds (distance) P-C4' energy: -23.134
flat angles C4'-P-C4' energy: -26.050
flat angles P-C4'-P energy: -19.093
tors. eta vs tors. theta energy: -5.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -150.557852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.557852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.557852 (E_RNA)
where:
Base-Base interactions energy: -44.237
where: short stacking energy: -42.645
Base-Backbone interact. energy: -0.274
local terms energy: -106.047361
where:
bonds (distance) C4'-P energy: -26.205
bonds (distance) P-C4' energy: -29.344
flat angles C4'-P-C4' energy: -31.495
flat angles P-C4'-P energy: -17.614
tors. eta vs tors. theta energy: -1.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -537.773400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.773400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.773400 (E_RNA)
where:
Base-Base interactions energy: -370.637
where: short stacking energy: -158.624
Base-Backbone interact. energy: -1.342
local terms energy: -165.793991
where:
bonds (distance) C4'-P energy: -30.366
bonds (distance) P-C4' energy: -33.532
flat angles C4'-P-C4' energy: -31.135
flat angles P-C4'-P energy: -23.366
tors. eta vs tors. theta energy: -47.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -539.287666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.287666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.287666 (E_RNA)
where:
Base-Base interactions energy: -370.170
where: short stacking energy: -162.288
Base-Backbone interact. energy: -0.024
local terms energy: -169.093743
where:
bonds (distance) C4'-P energy: -31.946
bonds (distance) P-C4' energy: -32.139
flat angles C4'-P-C4' energy: -33.604
flat angles P-C4'-P energy: -20.120
tors. eta vs tors. theta energy: -51.285
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: 7
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -468.278737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.278737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.278737 (E_RNA)
where:
Base-Base interactions energy: -306.415
where: short stacking energy: -147.922
Base-Backbone interact. energy: -2.271
local terms energy: -159.592804
where:
bonds (distance) C4'-P energy: -28.878
bonds (distance) P-C4' energy: -27.429
flat angles C4'-P-C4' energy: -36.471
flat angles P-C4'-P energy: -22.057
tors. eta vs tors. theta energy: -44.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -486.697002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.697002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.697002 (E_RNA)
where:
Base-Base interactions energy: -320.605
where: short stacking energy: -146.168
Base-Backbone interact. energy: -0.922
local terms energy: -165.170010
where:
bonds (distance) C4'-P energy: -34.740
bonds (distance) P-C4' energy: -28.724
flat angles C4'-P-C4' energy: -33.744
flat angles P-C4'-P energy: -25.919
tors. eta vs tors. theta energy: -42.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -462.408545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.408545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.408545 (E_RNA)
where:
Base-Base interactions energy: -320.628
where: short stacking energy: -143.283
Base-Backbone interact. energy: 0.635
local terms energy: -142.415455
where:
bonds (distance) C4'-P energy: -30.664
bonds (distance) P-C4' energy: -30.414
flat angles C4'-P-C4' energy: -24.681
flat angles P-C4'-P energy: -16.040
tors. eta vs tors. theta energy: -40.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -348.541977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.541977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.541977 (E_RNA)
where:
Base-Base interactions energy: -221.090
where: short stacking energy: -110.172
Base-Backbone interact. energy: -0.814
local terms energy: -126.638308
where:
bonds (distance) C4'-P energy: -25.702
bonds (distance) P-C4' energy: -29.410
flat angles C4'-P-C4' energy: -32.237
flat angles P-C4'-P energy: -15.118
tors. eta vs tors. theta energy: -24.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -318.205496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.205496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.205496 (E_RNA)
where:
Base-Base interactions energy: -190.214
where: short stacking energy: -94.467
Base-Backbone interact. energy: -0.497
local terms energy: -127.495182
where:
bonds (distance) C4'-P energy: -28.452
bonds (distance) P-C4' energy: -33.618
flat angles C4'-P-C4' energy: -24.053
flat angles P-C4'-P energy: -22.737
tors. eta vs tors. theta energy: -18.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -311.093264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.093264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.093264 (E_RNA)
where:
Base-Base interactions energy: -177.409
where: short stacking energy: -97.173
Base-Backbone interact. energy: -0.593
local terms energy: -133.091028
where:
bonds (distance) C4'-P energy: -28.100
bonds (distance) P-C4' energy: -30.592
flat angles C4'-P-C4' energy: -31.361
flat angles P-C4'-P energy: -20.433
tors. eta vs tors. theta energy: -22.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -177.927672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.927672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.927672 (E_RNA)
where:
Base-Base interactions energy: -68.939
where: short stacking energy: -53.796
Base-Backbone interact. energy: -0.132
local terms energy: -108.856094
where:
bonds (distance) C4'-P energy: -27.064
bonds (distance) P-C4' energy: -29.712
flat angles C4'-P-C4' energy: -29.795
flat angles P-C4'-P energy: -16.506
tors. eta vs tors. theta energy: -5.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -168.444755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.444755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.444755 (E_RNA)
where:
Base-Base interactions energy: -72.837
where: short stacking energy: -61.860
Base-Backbone interact. energy: -0.128
local terms energy: -95.479936
where:
bonds (distance) C4'-P energy: -21.496
bonds (distance) P-C4' energy: -34.631
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -20.127
tors. eta vs tors. theta energy: -2.987
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: 6
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -547.497366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.497366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.497366 (E_RNA)
where:
Base-Base interactions energy: -380.381
where: short stacking energy: -169.709
Base-Backbone interact. energy: -0.585
local terms energy: -166.532247
where:
bonds (distance) C4'-P energy: -28.069
bonds (distance) P-C4' energy: -29.039
flat angles C4'-P-C4' energy: -34.036
flat angles P-C4'-P energy: -28.260
tors. eta vs tors. theta energy: -47.128
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: 2, replica: 2
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -519.648459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.648459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.648459 (E_RNA)
where:
Base-Base interactions energy: -347.421
where: short stacking energy: -155.681
Base-Backbone interact. energy: 0.163
local terms energy: -172.390105
where:
bonds (distance) C4'-P energy: -29.046
bonds (distance) P-C4' energy: -35.490
flat angles C4'-P-C4' energy: -34.823
flat angles P-C4'-P energy: -25.483
tors. eta vs tors. theta energy: -47.548
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: 10
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -488.538023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.538023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.538023 (E_RNA)
where:
Base-Base interactions energy: -327.474
where: short stacking energy: -136.099
Base-Backbone interact. energy: 0.005
local terms energy: -161.068079
where:
bonds (distance) C4'-P energy: -33.980
bonds (distance) P-C4' energy: -33.243
flat angles C4'-P-C4' energy: -32.374
flat angles P-C4'-P energy: -26.349
tors. eta vs tors. theta energy: -35.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -432.195556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.195556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.195556 (E_RNA)
where:
Base-Base interactions energy: -289.484
where: short stacking energy: -129.993
Base-Backbone interact. energy: -1.958
local terms energy: -140.753880
where:
bonds (distance) C4'-P energy: -25.520
bonds (distance) P-C4' energy: -32.435
flat angles C4'-P-C4' energy: -29.968
flat angles P-C4'-P energy: -22.708
tors. eta vs tors. theta energy: -30.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -453.017324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.017324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.017324 (E_RNA)
where:
Base-Base interactions energy: -311.918
where: short stacking energy: -136.000
Base-Backbone interact. energy: -0.067
local terms energy: -141.032864
where:
bonds (distance) C4'-P energy: -33.385
bonds (distance) P-C4' energy: -24.796
flat angles C4'-P-C4' energy: -26.799
flat angles P-C4'-P energy: -13.900
tors. eta vs tors. theta energy: -42.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -366.818705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.818705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.818705 (E_RNA)
where:
Base-Base interactions energy: -235.762
where: short stacking energy: -114.004
Base-Backbone interact. energy: -0.779
local terms energy: -130.278009
where:
bonds (distance) C4'-P energy: -31.649
bonds (distance) P-C4' energy: -28.818
flat angles C4'-P-C4' energy: -33.115
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -26.532
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: 3
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -309.250975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.250975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.250975 (E_RNA)
where:
Base-Base interactions energy: -180.238
where: short stacking energy: -93.833
Base-Backbone interact. energy: -0.895
local terms energy: -128.117400
where:
bonds (distance) C4'-P energy: -35.145
bonds (distance) P-C4' energy: -28.351
flat angles C4'-P-C4' energy: -23.189
flat angles P-C4'-P energy: -24.007
tors. eta vs tors. theta energy: -17.425
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: 8, replica: 8
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -323.283694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.283694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.283694 (E_RNA)
where:
Base-Base interactions energy: -205.534
where: short stacking energy: -94.738
Base-Backbone interact. energy: 0.504
local terms energy: -118.253660
where:
bonds (distance) C4'-P energy: -22.196
bonds (distance) P-C4' energy: -26.154
flat angles C4'-P-C4' energy: -28.706
flat angles P-C4'-P energy: -19.732
tors. eta vs tors. theta energy: -21.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -166.578942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.578942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.578942 (E_RNA)
where:
Base-Base interactions energy: -69.577
where: short stacking energy: -69.116
Base-Backbone interact. energy: -0.494
local terms energy: -96.507526
where:
bonds (distance) C4'-P energy: -23.648
bonds (distance) P-C4' energy: -30.466
flat angles C4'-P-C4' energy: -17.394
flat angles P-C4'-P energy: -13.369
tors. eta vs tors. theta energy: -11.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -173.727178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.727178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.727178 (E_RNA)
where:
Base-Base interactions energy: -76.308
where: short stacking energy: -38.977
Base-Backbone interact. energy: -0.075
local terms energy: -97.344693
where:
bonds (distance) C4'-P energy: -28.235
bonds (distance) P-C4' energy: -24.169
flat angles C4'-P-C4' energy: -26.012
flat angles P-C4'-P energy: -15.939
tors. eta vs tors. theta energy: -2.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -547.072270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.072270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.072270 (E_RNA)
where:
Base-Base interactions energy: -373.121
where: short stacking energy: -179.346
Base-Backbone interact. energy: -0.118
local terms energy: -173.832353
where:
bonds (distance) C4'-P energy: -33.891
bonds (distance) P-C4' energy: -32.462
flat angles C4'-P-C4' energy: -31.841
flat angles P-C4'-P energy: -23.878
tors. eta vs tors. theta energy: -51.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -532.440560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.440560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.440560 (E_RNA)
where:
Base-Base interactions energy: -360.375
where: short stacking energy: -156.672
Base-Backbone interact. energy: -1.516
local terms energy: -170.549040
where:
bonds (distance) C4'-P energy: -33.372
bonds (distance) P-C4' energy: -33.556
flat angles C4'-P-C4' energy: -32.163
flat angles P-C4'-P energy: -23.077
tors. eta vs tors. theta energy: -48.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -482.341295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.341295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.341295 (E_RNA)
where:
Base-Base interactions energy: -323.595
where: short stacking energy: -150.904
Base-Backbone interact. energy: -0.706
local terms energy: -158.040905
where:
bonds (distance) C4'-P energy: -32.022
bonds (distance) P-C4' energy: -33.408
flat angles C4'-P-C4' energy: -25.102
flat angles P-C4'-P energy: -26.303
tors. eta vs tors. theta energy: -41.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -459.188207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.188207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.188207 (E_RNA)
where:
Base-Base interactions energy: -317.158
where: short stacking energy: -137.801
Base-Backbone interact. energy: -0.323
local terms energy: -141.707677
where:
bonds (distance) C4'-P energy: -21.794
bonds (distance) P-C4' energy: -30.892
flat angles C4'-P-C4' energy: -33.159
flat angles P-C4'-P energy: -16.603
tors. eta vs tors. theta energy: -39.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -446.007957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.007957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.007957 (E_RNA)
where:
Base-Base interactions energy: -294.852
where: short stacking energy: -135.519
Base-Backbone interact. energy: -1.339
local terms energy: -149.816849
where:
bonds (distance) C4'-P energy: -27.955
bonds (distance) P-C4' energy: -30.342
flat angles C4'-P-C4' energy: -29.670
flat angles P-C4'-P energy: -25.570
tors. eta vs tors. theta energy: -36.278
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: 1
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -370.541663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.541663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.541663 (E_RNA)
where:
Base-Base interactions energy: -230.320
where: short stacking energy: -112.758
Base-Backbone interact. energy: -0.014
local terms energy: -140.208007
where:
bonds (distance) C4'-P energy: -32.226
bonds (distance) P-C4' energy: -36.925
flat angles C4'-P-C4' energy: -33.207
flat angles P-C4'-P energy: -12.284
tors. eta vs tors. theta energy: -25.566
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: 3
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -336.073288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.073288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.073288 (E_RNA)
where:
Base-Base interactions energy: -217.509
where: short stacking energy: -103.728
Base-Backbone interact. energy: -0.457
local terms energy: -118.107265
where:
bonds (distance) C4'-P energy: -30.949
bonds (distance) P-C4' energy: -24.974
flat angles C4'-P-C4' energy: -24.671
flat angles P-C4'-P energy: -15.494
tors. eta vs tors. theta energy: -22.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -323.992104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.992104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.992104 (E_RNA)
where:
Base-Base interactions energy: -211.786
where: short stacking energy: -103.942
Base-Backbone interact. energy: -1.453
local terms energy: -110.752831
where:
bonds (distance) C4'-P energy: -21.878
bonds (distance) P-C4' energy: -24.558
flat angles C4'-P-C4' energy: -17.639
flat angles P-C4'-P energy: -20.699
tors. eta vs tors. theta energy: -25.979
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: 5
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -156.559856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.559856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.559856 (E_RNA)
where:
Base-Base interactions energy: -52.956
where: short stacking energy: -46.750
Base-Backbone interact. energy: -0.303
local terms energy: -103.300527
where:
bonds (distance) C4'-P energy: -27.777
bonds (distance) P-C4' energy: -30.166
flat angles C4'-P-C4' energy: -25.228
flat angles P-C4'-P energy: -16.901
tors. eta vs tors. theta energy: -3.229
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: 9
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -154.208105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.208105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.208105 (E_RNA)
where:
Base-Base interactions energy: -59.068
where: short stacking energy: -38.080
Base-Backbone interact. energy: -1.559
local terms energy: -93.581282
where:
bonds (distance) C4'-P energy: -31.195
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -24.557
flat angles P-C4'-P energy: -17.943
tors. eta vs tors. theta energy: -2.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -542.442069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.442069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.442069 (E_RNA)
where:
Base-Base interactions energy: -368.467
where: short stacking energy: -168.692
Base-Backbone interact. energy: -0.118
local terms energy: -173.857987
where:
bonds (distance) C4'-P energy: -34.477
bonds (distance) P-C4' energy: -31.075
flat angles C4'-P-C4' energy: -34.022
flat angles P-C4'-P energy: -23.855
tors. eta vs tors. theta energy: -50.429
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: 2, replica: 2
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -521.441385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.441385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.441385 (E_RNA)
where:
Base-Base interactions energy: -349.337
where: short stacking energy: -168.923
Base-Backbone interact. energy: -0.005
local terms energy: -172.100099
where:
bonds (distance) C4'-P energy: -31.572
bonds (distance) P-C4' energy: -30.857
flat angles C4'-P-C4' energy: -36.727
flat angles P-C4'-P energy: -22.499
tors. eta vs tors. theta energy: -50.445
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: 4
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -496.492118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.492118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.492118 (E_RNA)
where:
Base-Base interactions energy: -334.356
where: short stacking energy: -155.238
Base-Backbone interact. energy: -0.040
local terms energy: -162.096381
where:
bonds (distance) C4'-P energy: -29.509
bonds (distance) P-C4' energy: -28.563
flat angles C4'-P-C4' energy: -36.730
flat angles P-C4'-P energy: -26.056
tors. eta vs tors. theta energy: -41.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -489.490806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.490806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.490806 (E_RNA)
where:
Base-Base interactions energy: -321.441
where: short stacking energy: -149.262
Base-Backbone interact. energy: -0.084
local terms energy: -167.964877
where:
bonds (distance) C4'-P energy: -28.287
bonds (distance) P-C4' energy: -33.918
flat angles C4'-P-C4' energy: -31.748
flat angles P-C4'-P energy: -26.134
tors. eta vs tors. theta energy: -47.877
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: 7
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -431.052828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.052828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.052828 (E_RNA)
where:
Base-Base interactions energy: -287.327
where: short stacking energy: -127.843
Base-Backbone interact. energy: 1.007
local terms energy: -144.732723
where:
bonds (distance) C4'-P energy: -31.553
bonds (distance) P-C4' energy: -25.771
flat angles C4'-P-C4' energy: -24.035
flat angles P-C4'-P energy: -26.207
tors. eta vs tors. theta energy: -37.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -360.481130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.481130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.481130 (E_RNA)
where:
Base-Base interactions energy: -219.345
where: short stacking energy: -112.933
Base-Backbone interact. energy: 0.300
local terms energy: -141.435996
where:
bonds (distance) C4'-P energy: -25.716
bonds (distance) P-C4' energy: -31.553
flat angles C4'-P-C4' energy: -30.947
flat angles P-C4'-P energy: -19.399
tors. eta vs tors. theta energy: -33.820
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: 8
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -325.636552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.636552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.636552 (E_RNA)
where:
Base-Base interactions energy: -201.668
where: short stacking energy: -96.041
Base-Backbone interact. energy: -0.774
local terms energy: -123.195044
where:
bonds (distance) C4'-P energy: -30.181
bonds (distance) P-C4' energy: -31.966
flat angles C4'-P-C4' energy: -28.296
flat angles P-C4'-P energy: -13.800
tors. eta vs tors. theta energy: -18.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -315.118767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.118767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.118767 (E_RNA)
where:
Base-Base interactions energy: -186.407
where: short stacking energy: -88.363
Base-Backbone interact. energy: 0.541
local terms energy: -129.253021
where:
bonds (distance) C4'-P energy: -34.304
bonds (distance) P-C4' energy: -29.226
flat angles C4'-P-C4' energy: -27.212
flat angles P-C4'-P energy: -20.865
tors. eta vs tors. theta energy: -17.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -182.409344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.409344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.409344 (E_RNA)
where:
Base-Base interactions energy: -90.294
where: short stacking energy: -55.748
Base-Backbone interact. energy: -0.679
local terms energy: -91.436125
where:
bonds (distance) C4'-P energy: -22.791
bonds (distance) P-C4' energy: -34.151
flat angles C4'-P-C4' energy: -26.640
flat angles P-C4'-P energy: -5.034
tors. eta vs tors. theta energy: -2.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -139.197891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.197891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.197891 (E_RNA)
where:
Base-Base interactions energy: -44.155
where: short stacking energy: -41.190
Base-Backbone interact. energy: -1.953
local terms energy: -93.089125
where:
bonds (distance) C4'-P energy: -31.838
bonds (distance) P-C4' energy: -27.524
flat angles C4'-P-C4' energy: -23.704
flat angles P-C4'-P energy: -16.635
tors. eta vs tors. theta energy: 6.611
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: 6
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -537.143342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.143342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.143342 (E_RNA)
where:
Base-Base interactions energy: -374.146
where: short stacking energy: -168.773
Base-Backbone interact. energy: -0.086
local terms energy: -162.910779
where:
bonds (distance) C4'-P energy: -26.713
bonds (distance) P-C4' energy: -33.897
flat angles C4'-P-C4' energy: -36.751
flat angles P-C4'-P energy: -21.105
tors. eta vs tors. theta energy: -44.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -529.289922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.289922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.289922 (E_RNA)
where:
Base-Base interactions energy: -363.479
where: short stacking energy: -167.534
Base-Backbone interact. energy: -0.004
local terms energy: -165.806442
where:
bonds (distance) C4'-P energy: -27.289
bonds (distance) P-C4' energy: -29.954
flat angles C4'-P-C4' energy: -34.991
flat angles P-C4'-P energy: -23.202
tors. eta vs tors. theta energy: -50.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -502.960401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.960401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.960401 (E_RNA)
where:
Base-Base interactions energy: -345.037
where: short stacking energy: -161.790
Base-Backbone interact. energy: -0.115
local terms energy: -157.808477
where:
bonds (distance) C4'-P energy: -29.705
bonds (distance) P-C4' energy: -27.226
flat angles C4'-P-C4' energy: -36.055
flat angles P-C4'-P energy: -24.986
tors. eta vs tors. theta energy: -39.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -490.386626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.386626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.386626 (E_RNA)
where:
Base-Base interactions energy: -338.296
where: short stacking energy: -138.682
Base-Backbone interact. energy: -0.960
local terms energy: -151.130820
where:
bonds (distance) C4'-P energy: -28.558
bonds (distance) P-C4' energy: -29.546
flat angles C4'-P-C4' energy: -34.535
flat angles P-C4'-P energy: -24.983
tors. eta vs tors. theta energy: -33.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -437.176740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.176740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.176740 (E_RNA)
where:
Base-Base interactions energy: -284.582
where: short stacking energy: -137.709
Base-Backbone interact. energy: -1.524
local terms energy: -151.071550
where:
bonds (distance) C4'-P energy: -30.662
bonds (distance) P-C4' energy: -25.928
flat angles C4'-P-C4' energy: -35.389
flat angles P-C4'-P energy: -21.392
tors. eta vs tors. theta energy: -37.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -347.910535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.910535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.910535 (E_RNA)
where:
Base-Base interactions energy: -214.921
where: short stacking energy: -115.003
Base-Backbone interact. energy: -0.510
local terms energy: -132.480099
where:
bonds (distance) C4'-P energy: -25.359
bonds (distance) P-C4' energy: -35.314
flat angles C4'-P-C4' energy: -31.658
flat angles P-C4'-P energy: -14.391
tors. eta vs tors. theta energy: -25.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -333.917201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.917201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.917201 (E_RNA)
where:
Base-Base interactions energy: -206.513
where: short stacking energy: -97.042
Base-Backbone interact. energy: 0.113
local terms energy: -127.517276
where:
bonds (distance) C4'-P energy: -26.483
bonds (distance) P-C4' energy: -27.743
flat angles C4'-P-C4' energy: -26.367
flat angles P-C4'-P energy: -26.716
tors. eta vs tors. theta energy: -20.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -316.486596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.486596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.486596 (E_RNA)
where:
Base-Base interactions energy: -192.488
where: short stacking energy: -112.060
Base-Backbone interact. energy: -0.188
local terms energy: -123.810639
where:
bonds (distance) C4'-P energy: -27.948
bonds (distance) P-C4' energy: -27.351
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -20.951
tors. eta vs tors. theta energy: -31.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -157.624166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.624166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.624166 (E_RNA)
where:
Base-Base interactions energy: -69.436
where: short stacking energy: -43.319
Base-Backbone interact. energy: -0.469
local terms energy: -87.719085
where:
bonds (distance) C4'-P energy: -19.882
bonds (distance) P-C4' energy: -29.122
flat angles C4'-P-C4' energy: -23.026
flat angles P-C4'-P energy: -15.241
tors. eta vs tors. theta energy: -0.448
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: 5
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -180.833324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.833324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.833324 (E_RNA)
where:
Base-Base interactions energy: -82.867
where: short stacking energy: -51.207
Base-Backbone interact. energy: 0.753
local terms energy: -98.719316
where:
bonds (distance) C4'-P energy: -25.949
bonds (distance) P-C4' energy: -26.203
flat angles C4'-P-C4' energy: -27.377
flat angles P-C4'-P energy: -15.702
tors. eta vs tors. theta energy: -3.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -529.018924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.018924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.018924 (E_RNA)
where:
Base-Base interactions energy: -362.412
where: short stacking energy: -171.894
Base-Backbone interact. energy: -0.102
local terms energy: -166.505293
where:
bonds (distance) C4'-P energy: -29.848
bonds (distance) P-C4' energy: -31.529
flat angles C4'-P-C4' energy: -33.830
flat angles P-C4'-P energy: -17.673
tors. eta vs tors. theta energy: -53.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -544.782172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.782172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.782172 (E_RNA)
where:
Base-Base interactions energy: -375.327
where: short stacking energy: -164.853
Base-Backbone interact. energy: -0.767
local terms energy: -168.687588
where:
bonds (distance) C4'-P energy: -29.910
bonds (distance) P-C4' energy: -27.209
flat angles C4'-P-C4' energy: -33.105
flat angles P-C4'-P energy: -29.623
tors. eta vs tors. theta energy: -48.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -502.971464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.971464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.971464 (E_RNA)
where:
Base-Base interactions energy: -346.862
where: short stacking energy: -158.365
Base-Backbone interact. energy: -1.065
local terms energy: -155.044078
where:
bonds (distance) C4'-P energy: -27.341
bonds (distance) P-C4' energy: -28.427
flat angles C4'-P-C4' energy: -34.373
flat angles P-C4'-P energy: -21.042
tors. eta vs tors. theta energy: -43.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -475.734417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.734417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.734417 (E_RNA)
where:
Base-Base interactions energy: -327.557
where: short stacking energy: -136.965
Base-Backbone interact. energy: -1.600
local terms energy: -146.578224
where:
bonds (distance) C4'-P energy: -26.786
bonds (distance) P-C4' energy: -33.412
flat angles C4'-P-C4' energy: -28.249
flat angles P-C4'-P energy: -18.781
tors. eta vs tors. theta energy: -39.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -430.013479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.013479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.013479 (E_RNA)
where:
Base-Base interactions energy: -294.551
where: short stacking energy: -147.601
Base-Backbone interact. energy: -0.414
local terms energy: -135.049066
where:
bonds (distance) C4'-P energy: -17.200
bonds (distance) P-C4' energy: -20.756
flat angles C4'-P-C4' energy: -32.866
flat angles P-C4'-P energy: -19.223
tors. eta vs tors. theta energy: -45.006
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: 1
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -353.579046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.579046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.579046 (E_RNA)
where:
Base-Base interactions energy: -232.821
where: short stacking energy: -106.377
Base-Backbone interact. energy: -0.203
local terms energy: -120.555636
where:
bonds (distance) C4'-P energy: -10.011
bonds (distance) P-C4' energy: -30.834
flat angles C4'-P-C4' energy: -34.227
flat angles P-C4'-P energy: -24.663
tors. eta vs tors. theta energy: -20.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -327.149187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.149187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.149187 (E_RNA)
where:
Base-Base interactions energy: -207.914
where: short stacking energy: -102.347
Base-Backbone interact. energy: 0.436
local terms energy: -119.671372
where:
bonds (distance) C4'-P energy: -22.838
bonds (distance) P-C4' energy: -29.717
flat angles C4'-P-C4' energy: -25.144
flat angles P-C4'-P energy: -23.934
tors. eta vs tors. theta energy: -18.038
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: 3
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -329.010336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.010336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.010336 (E_RNA)
where:
Base-Base interactions energy: -217.590
where: short stacking energy: -96.769
Base-Backbone interact. energy: 0.263
local terms energy: -111.683676
where:
bonds (distance) C4'-P energy: -24.508
bonds (distance) P-C4' energy: -28.134
flat angles C4'-P-C4' energy: -26.375
flat angles P-C4'-P energy: -12.833
tors. eta vs tors. theta energy: -19.833
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: 5
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -161.213165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.213165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.213165 (E_RNA)
where:
Base-Base interactions energy: -66.708
where: short stacking energy: -45.226
Base-Backbone interact. energy: -1.119
local terms energy: -93.386010
where:
bonds (distance) C4'-P energy: -31.479
bonds (distance) P-C4' energy: -27.060
flat angles C4'-P-C4' energy: -20.717
flat angles P-C4'-P energy: -14.397
tors. eta vs tors. theta energy: 0.267
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: 9
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -157.468829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.468829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.468829 (E_RNA)
where:
Base-Base interactions energy: -65.920
where: short stacking energy: -41.102
Base-Backbone interact. energy: 0.497
local terms energy: -92.046474
where:
bonds (distance) C4'-P energy: -34.351
bonds (distance) P-C4' energy: -25.622
flat angles C4'-P-C4' energy: -22.696
flat angles P-C4'-P energy: -12.789
tors. eta vs tors. theta energy: 3.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -543.668500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.668500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.668500 (E_RNA)
where:
Base-Base interactions energy: -368.682
where: short stacking energy: -175.293
Base-Backbone interact. energy: -0.066
local terms energy: -174.920264
where:
bonds (distance) C4'-P energy: -30.871
bonds (distance) P-C4' energy: -34.588
flat angles C4'-P-C4' energy: -34.501
flat angles P-C4'-P energy: -24.910
tors. eta vs tors. theta energy: -50.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -508.121555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.121555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.121555 (E_RNA)
where:
Base-Base interactions energy: -349.529
where: short stacking energy: -159.440
Base-Backbone interact. energy: -0.099
local terms energy: -158.493605
where:
bonds (distance) C4'-P energy: -31.572
bonds (distance) P-C4' energy: -23.716
flat angles C4'-P-C4' energy: -34.337
flat angles P-C4'-P energy: -20.269
tors. eta vs tors. theta energy: -48.600
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: 6
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -528.974887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.974887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.974887 (E_RNA)
where:
Base-Base interactions energy: -365.523
where: short stacking energy: -156.805
Base-Backbone interact. energy: 0.602
local terms energy: -164.054003
where:
bonds (distance) C4'-P energy: -30.565
bonds (distance) P-C4' energy: -30.147
flat angles C4'-P-C4' energy: -34.190
flat angles P-C4'-P energy: -18.347
tors. eta vs tors. theta energy: -50.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -494.288013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.288013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.288013 (E_RNA)
where:
Base-Base interactions energy: -317.124
where: short stacking energy: -148.571
Base-Backbone interact. energy: -1.148
local terms energy: -176.015832
where:
bonds (distance) C4'-P energy: -30.141
bonds (distance) P-C4' energy: -36.471
flat angles C4'-P-C4' energy: -36.723
flat angles P-C4'-P energy: -28.860
tors. eta vs tors. theta energy: -43.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -411.930645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.930645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.930645 (E_RNA)
where:
Base-Base interactions energy: -270.136
where: short stacking energy: -133.141
Base-Backbone interact. energy: 5.458
local terms energy: -147.252555
where:
bonds (distance) C4'-P energy: -21.150
bonds (distance) P-C4' energy: -34.516
flat angles C4'-P-C4' energy: -33.565
flat angles P-C4'-P energy: -23.381
tors. eta vs tors. theta energy: -34.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -340.155365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.155365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.155365 (E_RNA)
where:
Base-Base interactions energy: -199.068
where: short stacking energy: -102.981
Base-Backbone interact. energy: -0.376
local terms energy: -140.711975
where:
bonds (distance) C4'-P energy: -28.052
bonds (distance) P-C4' energy: -24.129
flat angles C4'-P-C4' energy: -33.049
flat angles P-C4'-P energy: -24.166
tors. eta vs tors. theta energy: -31.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -326.685143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.685143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.685143 (E_RNA)
where:
Base-Base interactions energy: -213.437
where: short stacking energy: -106.386
Base-Backbone interact. energy: -0.606
local terms energy: -112.641409
where:
bonds (distance) C4'-P energy: -24.117
bonds (distance) P-C4' energy: -19.301
flat angles C4'-P-C4' energy: -27.815
flat angles P-C4'-P energy: -14.611
tors. eta vs tors. theta energy: -26.798
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: 3
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -326.263571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.263571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.263571 (E_RNA)
where:
Base-Base interactions energy: -201.773
where: short stacking energy: -89.893
Base-Backbone interact. energy: -0.247
local terms energy: -124.243385
where:
bonds (distance) C4'-P energy: -27.738
bonds (distance) P-C4' energy: -27.613
flat angles C4'-P-C4' energy: -28.629
flat angles P-C4'-P energy: -17.797
tors. eta vs tors. theta energy: -22.466
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: 5
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -210.691487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.691487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.691487 (E_RNA)
where:
Base-Base interactions energy: -104.394
where: short stacking energy: -62.393
Base-Backbone interact. energy: -0.563
local terms energy: -105.735143
where:
bonds (distance) C4'-P energy: -24.046
bonds (distance) P-C4' energy: -36.461
flat angles C4'-P-C4' energy: -24.005
flat angles P-C4'-P energy: -15.340
tors. eta vs tors. theta energy: -5.884
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: 421
Temperature: 1.350000
Total energy: -147.414365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.414365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.414365 (E_RNA)
where:
Base-Base interactions energy: -57.004
where: short stacking energy: -47.576
Base-Backbone interact. energy: -0.435
local terms energy: -89.975854
where:
bonds (distance) C4'-P energy: -26.524
bonds (distance) P-C4' energy: -28.903
flat angles C4'-P-C4' energy: -24.887
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -0.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -532.824950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.824950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.824950 (E_RNA)
where:
Base-Base interactions energy: -369.365
where: short stacking energy: -157.431
Base-Backbone interact. energy: 0.811
local terms energy: -164.270134
where:
bonds (distance) C4'-P energy: -33.866
bonds (distance) P-C4' energy: -28.966
flat angles C4'-P-C4' energy: -38.317
flat angles P-C4'-P energy: -21.861
tors. eta vs tors. theta energy: -41.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -531.101861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.101861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.101861 (E_RNA)
where:
Base-Base interactions energy: -363.666
where: short stacking energy: -172.442
Base-Backbone interact. energy: -0.155
local terms energy: -167.281377
where:
bonds (distance) C4'-P energy: -29.124
bonds (distance) P-C4' energy: -34.848
flat angles C4'-P-C4' energy: -33.493
flat angles P-C4'-P energy: -19.003
tors. eta vs tors. theta energy: -50.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -529.896297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.896297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.896297 (E_RNA)
where:
Base-Base interactions energy: -367.514
where: short stacking energy: -158.775
Base-Backbone interact. energy: -0.175
local terms energy: -162.207643
where:
bonds (distance) C4'-P energy: -24.119
bonds (distance) P-C4' energy: -35.025
flat angles C4'-P-C4' energy: -26.807
flat angles P-C4'-P energy: -25.839
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: 4, replica: 10
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -483.900187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.900187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.900187 (E_RNA)
where:
Base-Base interactions energy: -315.237
where: short stacking energy: -150.142
Base-Backbone interact. energy: -2.796
local terms energy: -165.866404
where:
bonds (distance) C4'-P energy: -30.881
bonds (distance) P-C4' energy: -33.971
flat angles C4'-P-C4' energy: -36.682
flat angles P-C4'-P energy: -25.857
tors. eta vs tors. theta energy: -38.476
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: 422
Temperature: 1.100000
Total energy: -439.669811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.669811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.669811 (E_RNA)
where:
Base-Base interactions energy: -282.438
where: short stacking energy: -133.185
Base-Backbone interact. energy: -0.208
local terms energy: -157.023656
where:
bonds (distance) C4'-P energy: -29.464
bonds (distance) P-C4' energy: -24.861
flat angles C4'-P-C4' energy: -32.637
flat angles P-C4'-P energy: -25.242
tors. eta vs tors. theta energy: -44.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -362.426081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.426081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.426081 (E_RNA)
where:
Base-Base interactions energy: -216.427
where: short stacking energy: -123.395
Base-Backbone interact. energy: -1.360
local terms energy: -144.639465
where:
bonds (distance) C4'-P energy: -35.711
bonds (distance) P-C4' energy: -27.049
flat angles C4'-P-C4' energy: -29.640
flat angles P-C4'-P energy: -21.601
tors. eta vs tors. theta energy: -30.638
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: 1
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -343.709286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.709286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.709286 (E_RNA)
where:
Base-Base interactions energy: -211.442
where: short stacking energy: -108.869
Base-Backbone interact. energy: -0.951
local terms energy: -131.316366
where:
bonds (distance) C4'-P energy: -27.513
bonds (distance) P-C4' energy: -31.409
flat angles C4'-P-C4' energy: -31.169
flat angles P-C4'-P energy: -18.736
tors. eta vs tors. theta energy: -22.489
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: 3
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -295.133884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.133884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.133884 (E_RNA)
where:
Base-Base interactions energy: -183.037
where: short stacking energy: -77.228
Base-Backbone interact. energy: -0.343
local terms energy: -111.754530
where:
bonds (distance) C4'-P energy: -26.675
bonds (distance) P-C4' energy: -27.815
flat angles C4'-P-C4' energy: -22.506
flat angles P-C4'-P energy: -16.558
tors. eta vs tors. theta energy: -18.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -195.800845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.800845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.800845 (E_RNA)
where:
Base-Base interactions energy: -91.128
where: short stacking energy: -58.466
Base-Backbone interact. energy: 1.014
local terms energy: -105.686549
where:
bonds (distance) C4'-P energy: -29.461
bonds (distance) P-C4' energy: -30.933
flat angles C4'-P-C4' energy: -24.661
flat angles P-C4'-P energy: -16.988
tors. eta vs tors. theta energy: -3.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -154.116103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.116103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.116103 (E_RNA)
where:
Base-Base interactions energy: -69.690
where: short stacking energy: -57.144
Base-Backbone interact. energy: -0.653
local terms energy: -83.772839
where:
bonds (distance) C4'-P energy: -23.668
bonds (distance) P-C4' energy: -31.153
flat angles C4'-P-C4' energy: -19.270
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: 0.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -522.567128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.567128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.567128 (E_RNA)
where:
Base-Base interactions energy: -362.444
where: short stacking energy: -156.010
Base-Backbone interact. energy: -0.975
local terms energy: -159.148239
where:
bonds (distance) C4'-P energy: -23.147
bonds (distance) P-C4' energy: -34.540
flat angles C4'-P-C4' energy: -35.817
flat angles P-C4'-P energy: -23.586
tors. eta vs tors. theta energy: -42.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -529.439936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.439936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.439936 (E_RNA)
where:
Base-Base interactions energy: -361.830
where: short stacking energy: -154.851
Base-Backbone interact. energy: -0.153
local terms energy: -167.457036
where:
bonds (distance) C4'-P energy: -28.681
bonds (distance) P-C4' energy: -31.091
flat angles C4'-P-C4' energy: -32.724
flat angles P-C4'-P energy: -28.977
tors. eta vs tors. theta energy: -45.984
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: 2
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -510.406711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.406711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.406711 (E_RNA)
where:
Base-Base interactions energy: -351.800
where: short stacking energy: -165.847
Base-Backbone interact. energy: -0.037
local terms energy: -158.570525
where:
bonds (distance) C4'-P energy: -29.655
bonds (distance) P-C4' energy: -23.034
flat angles C4'-P-C4' energy: -37.318
flat angles P-C4'-P energy: -18.625
tors. eta vs tors. theta energy: -49.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -496.834712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.834712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.834712 (E_RNA)
where:
Base-Base interactions energy: -344.748
where: short stacking energy: -152.870
Base-Backbone interact. energy: -1.090
local terms energy: -150.997615
where:
bonds (distance) C4'-P energy: -30.828
bonds (distance) P-C4' energy: -25.930
flat angles C4'-P-C4' energy: -29.050
flat angles P-C4'-P energy: -24.510
tors. eta vs tors. theta energy: -40.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -424.641426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.641426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.641426 (E_RNA)
where:
Base-Base interactions energy: -279.538
where: short stacking energy: -136.426
Base-Backbone interact. energy: 0.033
local terms energy: -145.136547
where:
bonds (distance) C4'-P energy: -30.860
bonds (distance) P-C4' energy: -26.316
flat angles C4'-P-C4' energy: -29.131
flat angles P-C4'-P energy: -24.657
tors. eta vs tors. theta energy: -34.173
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: 1
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -357.790406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.790406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.790406 (E_RNA)
where:
Base-Base interactions energy: -224.308
where: short stacking energy: -118.783
Base-Backbone interact. energy: 0.821
local terms energy: -134.302844
where:
bonds (distance) C4'-P energy: -25.874
bonds (distance) P-C4' energy: -28.615
flat angles C4'-P-C4' energy: -27.750
flat angles P-C4'-P energy: -23.177
tors. eta vs tors. theta energy: -28.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -338.167051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.167051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.167051 (E_RNA)
where:
Base-Base interactions energy: -223.973
where: short stacking energy: -122.030
Base-Backbone interact. energy: -0.275
local terms energy: -113.919161
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -25.139
flat angles C4'-P-C4' energy: -28.509
flat angles P-C4'-P energy: -18.096
tors. eta vs tors. theta energy: -28.463
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: 3
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -293.329763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.329763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.329763 (E_RNA)
where:
Base-Base interactions energy: -171.550
where: short stacking energy: -76.952
Base-Backbone interact. energy: -2.140
local terms energy: -119.640684
where:
bonds (distance) C4'-P energy: -27.411
bonds (distance) P-C4' energy: -33.654
flat angles C4'-P-C4' energy: -28.953
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: -17.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -162.401239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.401239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.401239 (E_RNA)
where:
Base-Base interactions energy: -60.570
where: short stacking energy: -55.658
Base-Backbone interact. energy: -0.492
local terms energy: -101.339393
where:
bonds (distance) C4'-P energy: -32.569
bonds (distance) P-C4' energy: -23.391
flat angles C4'-P-C4' energy: -23.541
flat angles P-C4'-P energy: -16.581
tors. eta vs tors. theta energy: -5.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -170.772754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.772754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.772754 (E_RNA)
where:
Base-Base interactions energy: -65.506
where: short stacking energy: -53.154
Base-Backbone interact. energy: -0.693
local terms energy: -104.573597
where:
bonds (distance) C4'-P energy: -29.575
bonds (distance) P-C4' energy: -26.883
flat angles C4'-P-C4' energy: -21.682
flat angles P-C4'-P energy: -20.018
tors. eta vs tors. theta energy: -6.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -534.477608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.477608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.477608 (E_RNA)
where:
Base-Base interactions energy: -370.309
where: short stacking energy: -158.656
Base-Backbone interact. energy: -1.666
local terms energy: -162.502869
where:
bonds (distance) C4'-P energy: -30.732
bonds (distance) P-C4' energy: -31.748
flat angles C4'-P-C4' energy: -36.220
flat angles P-C4'-P energy: -24.073
tors. eta vs tors. theta energy: -39.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -520.764927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.764927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.764927 (E_RNA)
where:
Base-Base interactions energy: -354.111
where: short stacking energy: -153.670
Base-Backbone interact. energy: -0.013
local terms energy: -166.640529
where:
bonds (distance) C4'-P energy: -32.263
bonds (distance) P-C4' energy: -32.136
flat angles C4'-P-C4' energy: -29.966
flat angles P-C4'-P energy: -24.746
tors. eta vs tors. theta energy: -47.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -515.068058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.068058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.068058 (E_RNA)
where:
Base-Base interactions energy: -353.922
where: short stacking energy: -168.270
Base-Backbone interact. energy: -0.539
local terms energy: -160.607644
where:
bonds (distance) C4'-P energy: -25.201
bonds (distance) P-C4' energy: -30.957
flat angles C4'-P-C4' energy: -31.744
flat angles P-C4'-P energy: -20.419
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: 4, replica: 2
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -497.509932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.509932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.509932 (E_RNA)
where:
Base-Base interactions energy: -343.108
where: short stacking energy: -155.643
Base-Backbone interact. energy: 0.630
local terms energy: -155.032386
where:
bonds (distance) C4'-P energy: -34.090
bonds (distance) P-C4' energy: -27.396
flat angles C4'-P-C4' energy: -33.419
flat angles P-C4'-P energy: -16.994
tors. eta vs tors. theta energy: -43.135
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: 5, replica: 7
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -427.924400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.924400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.924400 (E_RNA)
where:
Base-Base interactions energy: -285.715
where: short stacking energy: -122.097
Base-Backbone interact. energy: -0.527
local terms energy: -141.682129
where:
bonds (distance) C4'-P energy: -25.457
bonds (distance) P-C4' energy: -28.367
flat angles C4'-P-C4' energy: -30.526
flat angles P-C4'-P energy: -23.762
tors. eta vs tors. theta energy: -33.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -352.685175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.685175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.685175 (E_RNA)
where:
Base-Base interactions energy: -213.515
where: short stacking energy: -102.516
Base-Backbone interact. energy: -0.670
local terms energy: -138.499644
where:
bonds (distance) C4'-P energy: -27.137
bonds (distance) P-C4' energy: -27.583
flat angles C4'-P-C4' energy: -29.735
flat angles P-C4'-P energy: -23.447
tors. eta vs tors. theta energy: -30.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -335.603027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.603027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.603027 (E_RNA)
where:
Base-Base interactions energy: -205.801
where: short stacking energy: -99.049
Base-Backbone interact. energy: 1.421
local terms energy: -131.223139
where:
bonds (distance) C4'-P energy: -25.064
bonds (distance) P-C4' energy: -32.427
flat angles C4'-P-C4' energy: -29.189
flat angles P-C4'-P energy: -14.982
tors. eta vs tors. theta energy: -29.561
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: 8, replica: 3
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -305.837133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.837133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.837133 (E_RNA)
where:
Base-Base interactions energy: -199.980
where: short stacking energy: -92.018
Base-Backbone interact. energy: -0.325
local terms energy: -105.531994
where:
bonds (distance) C4'-P energy: -22.194
bonds (distance) P-C4' energy: -32.757
flat angles C4'-P-C4' energy: -23.948
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -15.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -179.306460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.306460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.306460 (E_RNA)
where:
Base-Base interactions energy: -71.987
where: short stacking energy: -62.506
Base-Backbone interact. energy: -0.950
local terms energy: -106.368955
where:
bonds (distance) C4'-P energy: -30.698
bonds (distance) P-C4' energy: -23.208
flat angles C4'-P-C4' energy: -30.429
flat angles P-C4'-P energy: -17.216
tors. eta vs tors. theta energy: -4.817
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: 5
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -147.919535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.919535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.919535 (E_RNA)
where:
Base-Base interactions energy: -54.520
where: short stacking energy: -37.952
Base-Backbone interact. energy: -0.516
local terms energy: -92.883708
where:
bonds (distance) C4'-P energy: -27.072
bonds (distance) P-C4' energy: -31.702
flat angles C4'-P-C4' energy: -25.158
flat angles P-C4'-P energy: -15.500
tors. eta vs tors. theta energy: 6.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -536.701771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.701771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.701771 (E_RNA)
where:
Base-Base interactions energy: -361.383
where: short stacking energy: -153.983
Base-Backbone interact. energy: -0.627
local terms energy: -174.691491
where:
bonds (distance) C4'-P energy: -34.760
bonds (distance) P-C4' energy: -30.324
flat angles C4'-P-C4' energy: -38.943
flat angles P-C4'-P energy: -27.702
tors. eta vs tors. theta energy: -42.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -517.639255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.639255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.639255 (E_RNA)
where:
Base-Base interactions energy: -351.790
where: short stacking energy: -166.459
Base-Backbone interact. energy: -0.324
local terms energy: -165.524971
where:
bonds (distance) C4'-P energy: -26.512
bonds (distance) P-C4' energy: -30.017
flat angles C4'-P-C4' energy: -32.605
flat angles P-C4'-P energy: -30.440
tors. eta vs tors. theta energy: -45.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -528.092283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.092283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.092283 (E_RNA)
where:
Base-Base interactions energy: -356.605
where: short stacking energy: -166.102
Base-Backbone interact. energy: -0.018
local terms energy: -171.469552
where:
bonds (distance) C4'-P energy: -31.276
bonds (distance) P-C4' energy: -29.982
flat angles C4'-P-C4' energy: -35.584
flat angles P-C4'-P energy: -27.756
tors. eta vs tors. theta energy: -46.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -435.523585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.523585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.523585 (E_RNA)
where:
Base-Base interactions energy: -294.722
where: short stacking energy: -148.508
Base-Backbone interact. energy: -0.292
local terms energy: -140.509038
where:
bonds (distance) C4'-P energy: -22.524
bonds (distance) P-C4' energy: -31.380
flat angles C4'-P-C4' energy: -28.556
flat angles P-C4'-P energy: -19.755
tors. eta vs tors. theta energy: -38.294
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: 2
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -492.407862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.407862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.407862 (E_RNA)
where:
Base-Base interactions energy: -335.621
where: short stacking energy: -150.447
Base-Backbone interact. energy: -0.042
local terms energy: -156.744060
where:
bonds (distance) C4'-P energy: -28.022
bonds (distance) P-C4' energy: -28.483
flat angles C4'-P-C4' energy: -33.882
flat angles P-C4'-P energy: -21.548
tors. eta vs tors. theta energy: -44.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -369.125342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.125342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.125342 (E_RNA)
where:
Base-Base interactions energy: -229.879
where: short stacking energy: -111.824
Base-Backbone interact. energy: -0.774
local terms energy: -138.472471
where:
bonds (distance) C4'-P energy: -31.685
bonds (distance) P-C4' energy: -30.932
flat angles C4'-P-C4' energy: -29.243
flat angles P-C4'-P energy: -23.079
tors. eta vs tors. theta energy: -23.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -333.156414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.156414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.156414 (E_RNA)
where:
Base-Base interactions energy: -208.347
where: short stacking energy: -102.434
Base-Backbone interact. energy: 0.971
local terms energy: -125.780174
where:
bonds (distance) C4'-P energy: -28.432
bonds (distance) P-C4' energy: -25.258
flat angles C4'-P-C4' energy: -32.099
flat angles P-C4'-P energy: -16.219
tors. eta vs tors. theta energy: -23.772
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: 3
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -300.888299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.888299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.888299 (E_RNA)
where:
Base-Base interactions energy: -184.419
where: short stacking energy: -98.385
Base-Backbone interact. energy: -0.769
local terms energy: -115.700839
where:
bonds (distance) C4'-P energy: -19.330
bonds (distance) P-C4' energy: -34.613
flat angles C4'-P-C4' energy: -28.722
flat angles P-C4'-P energy: -13.331
tors. eta vs tors. theta energy: -19.703
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: 9, replica: 9
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -163.461855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.461855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.461855 (E_RNA)
where:
Base-Base interactions energy: -54.594
where: short stacking energy: -48.866
Base-Backbone interact. energy: 0.676
local terms energy: -109.543747
where:
bonds (distance) C4'-P energy: -23.293
bonds (distance) P-C4' energy: -31.856
flat angles C4'-P-C4' energy: -25.225
flat angles P-C4'-P energy: -24.379
tors. eta vs tors. theta energy: -4.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -148.955177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.955177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.955177 (E_RNA)
where:
Base-Base interactions energy: -55.995
where: short stacking energy: -54.908
Base-Backbone interact. energy: -0.167
local terms energy: -92.793159
where:
bonds (distance) C4'-P energy: -24.579
bonds (distance) P-C4' energy: -26.264
flat angles C4'-P-C4' energy: -25.957
flat angles P-C4'-P energy: -8.314
tors. eta vs tors. theta energy: -7.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -516.061320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.061320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.061320 (E_RNA)
where:
Base-Base interactions energy: -351.567
where: short stacking energy: -158.348
Base-Backbone interact. energy: 2.628
local terms energy: -167.121881
where:
bonds (distance) C4'-P energy: -31.399
bonds (distance) P-C4' energy: -32.148
flat angles C4'-P-C4' energy: -33.491
flat angles P-C4'-P energy: -22.789
tors. eta vs tors. theta energy: -47.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -508.804573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.804573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.804573 (E_RNA)
where:
Base-Base interactions energy: -352.804
where: short stacking energy: -149.390
Base-Backbone interact. energy: -0.035
local terms energy: -155.965435
where:
bonds (distance) C4'-P energy: -34.536
bonds (distance) P-C4' energy: -29.903
flat angles C4'-P-C4' energy: -31.503
flat angles P-C4'-P energy: -19.204
tors. eta vs tors. theta energy: -40.819
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: 6
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -519.694530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.694530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.694530 (E_RNA)
where:
Base-Base interactions energy: -351.815
where: short stacking energy: -163.865
Base-Backbone interact. energy: -0.069
local terms energy: -167.811192
where:
bonds (distance) C4'-P energy: -27.536
bonds (distance) P-C4' energy: -33.289
flat angles C4'-P-C4' energy: -37.156
flat angles P-C4'-P energy: -19.682
tors. eta vs tors. theta energy: -50.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -444.451858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.451858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.451858 (E_RNA)
where:
Base-Base interactions energy: -297.274
where: short stacking energy: -135.117
Base-Backbone interact. energy: -0.826
local terms energy: -146.351605
where:
bonds (distance) C4'-P energy: -26.006
bonds (distance) P-C4' energy: -31.812
flat angles C4'-P-C4' energy: -33.145
flat angles P-C4'-P energy: -21.938
tors. eta vs tors. theta energy: -33.451
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: 5, replica: 2
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -478.786712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.786712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.786712 (E_RNA)
where:
Base-Base interactions energy: -324.374
where: short stacking energy: -142.115
Base-Backbone interact. energy: 0.715
local terms energy: -155.128352
where:
bonds (distance) C4'-P energy: -30.610
bonds (distance) P-C4' energy: -27.759
flat angles C4'-P-C4' energy: -34.616
flat angles P-C4'-P energy: -16.628
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: 6, replica: 1
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -355.059512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.059512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.059512 (E_RNA)
where:
Base-Base interactions energy: -233.229
where: short stacking energy: -98.664
Base-Backbone interact. energy: -1.594
local terms energy: -120.236734
where:
bonds (distance) C4'-P energy: -26.806
bonds (distance) P-C4' energy: -25.893
flat angles C4'-P-C4' energy: -31.363
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -25.338
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: 3
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -309.249137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.249137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.249137 (E_RNA)
where:
Base-Base interactions energy: -185.555
where: short stacking energy: -88.498
Base-Backbone interact. energy: -1.433
local terms energy: -122.260674
where:
bonds (distance) C4'-P energy: -23.813
bonds (distance) P-C4' energy: -36.962
flat angles C4'-P-C4' energy: -23.343
flat angles P-C4'-P energy: -19.781
tors. eta vs tors. theta energy: -18.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -318.455318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.455318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.455318 (E_RNA)
where:
Base-Base interactions energy: -206.672
where: short stacking energy: -94.055
Base-Backbone interact. energy: -0.831
local terms energy: -110.952410
where:
bonds (distance) C4'-P energy: -31.181
bonds (distance) P-C4' energy: -21.758
flat angles C4'-P-C4' energy: -22.780
flat angles P-C4'-P energy: -16.842
tors. eta vs tors. theta energy: -18.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -180.677463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.677463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.677463 (E_RNA)
where:
Base-Base interactions energy: -69.479
where: short stacking energy: -58.852
Base-Backbone interact. energy: -1.135
local terms energy: -110.063898
where:
bonds (distance) C4'-P energy: -28.334
bonds (distance) P-C4' energy: -28.926
flat angles C4'-P-C4' energy: -24.492
flat angles P-C4'-P energy: -21.190
tors. eta vs tors. theta energy: -7.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -150.654487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.654487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.654487 (E_RNA)
where:
Base-Base interactions energy: -55.118
where: short stacking energy: -46.794
Base-Backbone interact. energy: -0.100
local terms energy: -95.436487
where:
bonds (distance) C4'-P energy: -19.459
bonds (distance) P-C4' energy: -35.819
flat angles C4'-P-C4' energy: -25.989
flat angles P-C4'-P energy: -18.042
tors. eta vs tors. theta energy: 3.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -529.136971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.136971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.136971 (E_RNA)
where:
Base-Base interactions energy: -349.538
where: short stacking energy: -159.420
Base-Backbone interact. energy: -0.019
local terms energy: -179.580128
where:
bonds (distance) C4'-P energy: -33.394
bonds (distance) P-C4' energy: -35.043
flat angles C4'-P-C4' energy: -38.087
flat angles P-C4'-P energy: -24.887
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: 2, replica: 6
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -520.747680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.747680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.747680 (E_RNA)
where:
Base-Base interactions energy: -362.411
where: short stacking energy: -160.153
Base-Backbone interact. energy: -0.343
local terms energy: -157.993209
where:
bonds (distance) C4'-P energy: -29.697
bonds (distance) P-C4' energy: -29.615
flat angles C4'-P-C4' energy: -29.958
flat angles P-C4'-P energy: -22.548
tors. eta vs tors. theta energy: -46.175
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: 4
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -511.675929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.675929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.675929 (E_RNA)
where:
Base-Base interactions energy: -356.746
where: short stacking energy: -143.266
Base-Backbone interact. energy: -0.089
local terms energy: -154.841258
where:
bonds (distance) C4'-P energy: -25.168
bonds (distance) P-C4' energy: -30.881
flat angles C4'-P-C4' energy: -31.095
flat angles P-C4'-P energy: -25.599
tors. eta vs tors. theta energy: -42.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -483.775005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.775005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.775005 (E_RNA)
where:
Base-Base interactions energy: -326.895
where: short stacking energy: -146.350
Base-Backbone interact. energy: -0.470
local terms energy: -156.410776
where:
bonds (distance) C4'-P energy: -30.200
bonds (distance) P-C4' energy: -29.694
flat angles C4'-P-C4' energy: -30.708
flat angles P-C4'-P energy: -20.617
tors. eta vs tors. theta energy: -45.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -425.572318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.572318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.572318 (E_RNA)
where:
Base-Base interactions energy: -279.242
where: short stacking energy: -124.337
Base-Backbone interact. energy: -0.760
local terms energy: -145.570226
where:
bonds (distance) C4'-P energy: -30.346
bonds (distance) P-C4' energy: -24.044
flat angles C4'-P-C4' energy: -27.180
flat angles P-C4'-P energy: -27.421
tors. eta vs tors. theta energy: -36.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -405.123572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.123572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.123572 (E_RNA)
where:
Base-Base interactions energy: -258.150
where: short stacking energy: -110.788
Base-Backbone interact. energy: -1.809
local terms energy: -145.164639
where:
bonds (distance) C4'-P energy: -33.230
bonds (distance) P-C4' energy: -31.477
flat angles C4'-P-C4' energy: -21.569
flat angles P-C4'-P energy: -20.451
tors. eta vs tors. theta energy: -38.438
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: 3
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -301.412632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.412632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.412632 (E_RNA)
where:
Base-Base interactions energy: -172.870
where: short stacking energy: -91.619
Base-Backbone interact. energy: 0.548
local terms energy: -129.090882
where:
bonds (distance) C4'-P energy: -34.292
bonds (distance) P-C4' energy: -31.237
flat angles C4'-P-C4' energy: -22.649
flat angles P-C4'-P energy: -24.926
tors. eta vs tors. theta energy: -15.988
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: 8
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -333.061079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.061079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.061079 (E_RNA)
where:
Base-Base interactions energy: -213.506
where: short stacking energy: -95.767
Base-Backbone interact. energy: 3.812
local terms energy: -123.367607
where:
bonds (distance) C4'-P energy: -33.356
bonds (distance) P-C4' energy: -32.081
flat angles C4'-P-C4' energy: -29.032
flat angles P-C4'-P energy: -13.800
tors. eta vs tors. theta energy: -15.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -167.101400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.101400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.101400 (E_RNA)
where:
Base-Base interactions energy: -75.946
where: short stacking energy: -47.447
Base-Backbone interact. energy: -0.092
local terms energy: -91.063705
where:
bonds (distance) C4'-P energy: -27.234
bonds (distance) P-C4' energy: -24.567
flat angles C4'-P-C4' energy: -30.963
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: 2.979
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: 9
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -171.988974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.988974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.988974 (E_RNA)
where:
Base-Base interactions energy: -71.812
where: short stacking energy: -50.282
Base-Backbone interact. energy: -0.609
local terms energy: -99.568077
where:
bonds (distance) C4'-P energy: -20.832
bonds (distance) P-C4' energy: -31.439
flat angles C4'-P-C4' energy: -27.548
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -9.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -525.939877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.939877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.939877 (E_RNA)
where:
Base-Base interactions energy: -348.988
where: short stacking energy: -161.510
Base-Backbone interact. energy: -1.423
local terms energy: -175.528705
where:
bonds (distance) C4'-P energy: -34.964
bonds (distance) P-C4' energy: -27.716
flat angles C4'-P-C4' energy: -35.546
flat angles P-C4'-P energy: -30.534
tors. eta vs tors. theta energy: -46.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -539.719746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.719746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.719746 (E_RNA)
where:
Base-Base interactions energy: -369.488
where: short stacking energy: -172.715
Base-Backbone interact. energy: -0.117
local terms energy: -170.115002
where:
bonds (distance) C4'-P energy: -33.140
bonds (distance) P-C4' energy: -29.584
flat angles C4'-P-C4' energy: -35.288
flat angles P-C4'-P energy: -20.571
tors. eta vs tors. theta energy: -51.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -498.843202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.843202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.843202 (E_RNA)
where:
Base-Base interactions energy: -339.981
where: short stacking energy: -147.545
Base-Backbone interact. energy: -1.845
local terms energy: -157.017846
where:
bonds (distance) C4'-P energy: -28.906
bonds (distance) P-C4' energy: -31.817
flat angles C4'-P-C4' energy: -33.095
flat angles P-C4'-P energy: -20.145
tors. eta vs tors. theta energy: -43.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -504.410709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.410709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.410709 (E_RNA)
where:
Base-Base interactions energy: -336.705
where: short stacking energy: -158.822
Base-Backbone interact. energy: 0.180
local terms energy: -167.885819
where:
bonds (distance) C4'-P energy: -28.304
bonds (distance) P-C4' energy: -31.718
flat angles C4'-P-C4' energy: -37.382
flat angles P-C4'-P energy: -20.241
tors. eta vs tors. theta energy: -50.240
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: 5, replica: 7
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -429.221492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.221492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.221492 (E_RNA)
where:
Base-Base interactions energy: -279.163
where: short stacking energy: -126.431
Base-Backbone interact. energy: -0.286
local terms energy: -149.772870
where:
bonds (distance) C4'-P energy: -29.262
bonds (distance) P-C4' energy: -36.206
flat angles C4'-P-C4' energy: -29.881
flat angles P-C4'-P energy: -16.902
tors. eta vs tors. theta energy: -37.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -411.373599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.373599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.373599 (E_RNA)
where:
Base-Base interactions energy: -275.483
where: short stacking energy: -119.780
Base-Backbone interact. energy: -1.936
local terms energy: -133.954882
where:
bonds (distance) C4'-P energy: -29.094
bonds (distance) P-C4' energy: -29.863
flat angles C4'-P-C4' energy: -31.375
flat angles P-C4'-P energy: -15.941
tors. eta vs tors. theta energy: -27.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -340.104546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.104546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.104546 (E_RNA)
where:
Base-Base interactions energy: -228.250
where: short stacking energy: -104.838
Base-Backbone interact. energy: -0.072
local terms energy: -111.782154
where:
bonds (distance) C4'-P energy: -22.388
bonds (distance) P-C4' energy: -28.096
flat angles C4'-P-C4' energy: -22.698
flat angles P-C4'-P energy: -15.708
tors. eta vs tors. theta energy: -22.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -290.508184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.508184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.508184 (E_RNA)
where:
Base-Base interactions energy: -171.761
where: short stacking energy: -77.698
Base-Backbone interact. energy: -2.541
local terms energy: -116.206545
where:
bonds (distance) C4'-P energy: -32.637
bonds (distance) P-C4' energy: -32.284
flat angles C4'-P-C4' energy: -24.140
flat angles P-C4'-P energy: -17.633
tors. eta vs tors. theta energy: -9.512
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: 9, replica: 9
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -230.524294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.524294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.524294 (E_RNA)
where:
Base-Base interactions energy: -126.549
where: short stacking energy: -63.201
Base-Backbone interact. energy: -0.384
local terms energy: -103.590936
where:
bonds (distance) C4'-P energy: -23.762
bonds (distance) P-C4' energy: -28.692
flat angles C4'-P-C4' energy: -28.319
flat angles P-C4'-P energy: -13.870
tors. eta vs tors. theta energy: -8.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -138.485405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.485405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.485405 (E_RNA)
where:
Base-Base interactions energy: -48.343
where: short stacking energy: -42.250
Base-Backbone interact. energy: -1.419
local terms energy: -88.723247
where:
bonds (distance) C4'-P energy: -21.181
bonds (distance) P-C4' energy: -31.341
flat angles C4'-P-C4' energy: -21.690
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -4.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -526.631746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.631746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.631746 (E_RNA)
where:
Base-Base interactions energy: -360.531
where: short stacking energy: -165.256
Base-Backbone interact. energy: -1.425
local terms energy: -164.675789
where:
bonds (distance) C4'-P energy: -30.830
bonds (distance) P-C4' energy: -30.619
flat angles C4'-P-C4' energy: -36.575
flat angles P-C4'-P energy: -20.044
tors. eta vs tors. theta energy: -46.608
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: 2, replica: 6
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -532.742614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.742614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.742614 (E_RNA)
where:
Base-Base interactions energy: -361.788
where: short stacking energy: -168.652
Base-Backbone interact. energy: -0.078
local terms energy: -170.876647
where:
bonds (distance) C4'-P energy: -31.552
bonds (distance) P-C4' energy: -30.386
flat angles C4'-P-C4' energy: -35.269
flat angles P-C4'-P energy: -24.112
tors. eta vs tors. theta energy: -49.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -513.498806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.498806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.498806 (E_RNA)
where:
Base-Base interactions energy: -350.610
where: short stacking energy: -151.831
Base-Backbone interact. energy: -0.183
local terms energy: -162.705263
where:
bonds (distance) C4'-P energy: -28.123
bonds (distance) P-C4' energy: -35.542
flat angles C4'-P-C4' energy: -35.318
flat angles P-C4'-P energy: -21.010
tors. eta vs tors. theta energy: -42.713
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: 2
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -501.852790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.852790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.852790 (E_RNA)
where:
Base-Base interactions energy: -339.544
where: short stacking energy: -156.372
Base-Backbone interact. energy: -0.426
local terms energy: -161.883703
where:
bonds (distance) C4'-P energy: -27.615
bonds (distance) P-C4' energy: -28.505
flat angles C4'-P-C4' energy: -31.243
flat angles P-C4'-P energy: -25.293
tors. eta vs tors. theta energy: -49.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -434.383053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.383053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.383053 (E_RNA)
where:
Base-Base interactions energy: -286.296
where: short stacking energy: -129.563
Base-Backbone interact. energy: -1.819
local terms energy: -146.267821
where:
bonds (distance) C4'-P energy: -26.308
bonds (distance) P-C4' energy: -31.487
flat angles C4'-P-C4' energy: -30.852
flat angles P-C4'-P energy: -21.767
tors. eta vs tors. theta energy: -35.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -413.411257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.411257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.411257 (E_RNA)
where:
Base-Base interactions energy: -273.622
where: short stacking energy: -133.974
Base-Backbone interact. energy: -0.359
local terms energy: -139.430274
where:
bonds (distance) C4'-P energy: -30.163
bonds (distance) P-C4' energy: -26.752
flat angles C4'-P-C4' energy: -26.105
flat angles P-C4'-P energy: -23.366
tors. eta vs tors. theta energy: -33.044
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: 8
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -352.850827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.850827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.850827 (E_RNA)
where:
Base-Base interactions energy: -228.311
where: short stacking energy: -107.679
Base-Backbone interact. energy: -0.912
local terms energy: -123.627875
where:
bonds (distance) C4'-P energy: -24.845
bonds (distance) P-C4' energy: -28.629
flat angles C4'-P-C4' energy: -25.757
flat angles P-C4'-P energy: -22.655
tors. eta vs tors. theta energy: -21.742
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: 3
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -292.737751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.737751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.737751 (E_RNA)
where:
Base-Base interactions energy: -178.861
where: short stacking energy: -81.700
Base-Backbone interact. energy: -0.460
local terms energy: -113.417359
where:
bonds (distance) C4'-P energy: -28.379
bonds (distance) P-C4' energy: -22.096
flat angles C4'-P-C4' energy: -36.094
flat angles P-C4'-P energy: -14.628
tors. eta vs tors. theta energy: -12.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -241.955217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.955217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.955217 (E_RNA)
where:
Base-Base interactions energy: -136.933
where: short stacking energy: -79.251
Base-Backbone interact. energy: -1.912
local terms energy: -103.110440
where:
bonds (distance) C4'-P energy: -26.102
bonds (distance) P-C4' energy: -24.415
flat angles C4'-P-C4' energy: -25.609
flat angles P-C4'-P energy: -16.381
tors. eta vs tors. theta energy: -10.603
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: 5
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -176.206303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.206303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.206303 (E_RNA)
where:
Base-Base interactions energy: -63.518
where: short stacking energy: -45.638
Base-Backbone interact. energy: -1.826
local terms energy: -110.861949
where:
bonds (distance) C4'-P energy: -28.247
bonds (distance) P-C4' energy: -30.809
flat angles C4'-P-C4' energy: -27.114
flat angles P-C4'-P energy: -17.823
tors. eta vs tors. theta energy: -6.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -537.509406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.509406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.509406 (E_RNA)
where:
Base-Base interactions energy: -366.821
where: short stacking energy: -168.331
Base-Backbone interact. energy: -0.043
local terms energy: -170.645319
where:
bonds (distance) C4'-P energy: -29.242
bonds (distance) P-C4' energy: -29.990
flat angles C4'-P-C4' energy: -31.629
flat angles P-C4'-P energy: -30.637
tors. eta vs tors. theta energy: -49.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -528.113737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.113737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.113737 (E_RNA)
where:
Base-Base interactions energy: -372.269
where: short stacking energy: -174.645
Base-Backbone interact. energy: 0.158
local terms energy: -156.003224
where:
bonds (distance) C4'-P energy: -21.049
bonds (distance) P-C4' energy: -30.999
flat angles C4'-P-C4' energy: -32.013
flat angles P-C4'-P energy: -26.219
tors. eta vs tors. theta energy: -45.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -524.535904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.535904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.535904 (E_RNA)
where:
Base-Base interactions energy: -351.777
where: short stacking energy: -157.820
Base-Backbone interact. energy: -1.469
local terms energy: -171.289165
where:
bonds (distance) C4'-P energy: -30.010
bonds (distance) P-C4' energy: -30.038
flat angles C4'-P-C4' energy: -37.937
flat angles P-C4'-P energy: -23.194
tors. eta vs tors. theta energy: -50.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -485.019664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.019664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.019664 (E_RNA)
where:
Base-Base interactions energy: -332.149
where: short stacking energy: -141.286
Base-Backbone interact. energy: -1.617
local terms energy: -151.253850
where:
bonds (distance) C4'-P energy: -27.784
bonds (distance) P-C4' energy: -32.065
flat angles C4'-P-C4' energy: -34.443
flat angles P-C4'-P energy: -19.608
tors. eta vs tors. theta energy: -37.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -426.054538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.054538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.054538 (E_RNA)
where:
Base-Base interactions energy: -270.515
where: short stacking energy: -124.001
Base-Backbone interact. energy: -3.034
local terms energy: -152.505399
where:
bonds (distance) C4'-P energy: -31.725
bonds (distance) P-C4' energy: -32.094
flat angles C4'-P-C4' energy: -27.436
flat angles P-C4'-P energy: -22.416
tors. eta vs tors. theta energy: -38.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -378.444339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.444339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.444339 (E_RNA)
where:
Base-Base interactions energy: -238.875
where: short stacking energy: -106.323
Base-Backbone interact. energy: -0.662
local terms energy: -138.906722
where:
bonds (distance) C4'-P energy: -23.145
bonds (distance) P-C4' energy: -32.432
flat angles C4'-P-C4' energy: -24.043
flat angles P-C4'-P energy: -28.189
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: 7, replica: 3
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -327.664740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.664740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.664740 (E_RNA)
where:
Base-Base interactions energy: -201.363
where: short stacking energy: -113.635
Base-Backbone interact. energy: 1.904
local terms energy: -128.205267
where:
bonds (distance) C4'-P energy: -34.949
bonds (distance) P-C4' energy: -27.431
flat angles C4'-P-C4' energy: -20.986
flat angles P-C4'-P energy: -19.695
tors. eta vs tors. theta energy: -25.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -311.723854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.723854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.723854 (E_RNA)
where:
Base-Base interactions energy: -194.504
where: short stacking energy: -93.181
Base-Backbone interact. energy: -1.641
local terms energy: -115.579047
where:
bonds (distance) C4'-P energy: -21.902
bonds (distance) P-C4' energy: -33.476
flat angles C4'-P-C4' energy: -27.017
flat angles P-C4'-P energy: -21.217
tors. eta vs tors. theta energy: -11.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -229.731743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.731743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.731743 (E_RNA)
where:
Base-Base interactions energy: -138.897
where: short stacking energy: -63.372
Base-Backbone interact. energy: -0.392
local terms energy: -90.443298
where:
bonds (distance) C4'-P energy: -23.209
bonds (distance) P-C4' energy: -25.226
flat angles C4'-P-C4' energy: -23.867
flat angles P-C4'-P energy: -7.837
tors. eta vs tors. theta energy: -10.303
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: 5
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -172.581568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.581568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.581568 (E_RNA)
where:
Base-Base interactions energy: -71.014
where: short stacking energy: -44.555
Base-Backbone interact. energy: 2.478
local terms energy: -104.045149
where:
bonds (distance) C4'-P energy: -30.228
bonds (distance) P-C4' energy: -27.450
flat angles C4'-P-C4' energy: -21.704
flat angles P-C4'-P energy: -20.461
tors. eta vs tors. theta energy: -4.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -543.605628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.605628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.605628 (E_RNA)
where:
Base-Base interactions energy: -370.303
where: short stacking energy: -168.488
Base-Backbone interact. energy: -0.267
local terms energy: -173.036088
where:
bonds (distance) C4'-P energy: -33.354
bonds (distance) P-C4' energy: -35.274
flat angles C4'-P-C4' energy: -33.075
flat angles P-C4'-P energy: -27.922
tors. eta vs tors. theta energy: -43.411
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: 2
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -527.228608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.228608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.228608 (E_RNA)
where:
Base-Base interactions energy: -355.112
where: short stacking energy: -161.583
Base-Backbone interact. energy: -1.605
local terms energy: -170.511775
where:
bonds (distance) C4'-P energy: -26.481
bonds (distance) P-C4' energy: -31.992
flat angles C4'-P-C4' energy: -38.026
flat angles P-C4'-P energy: -25.007
tors. eta vs tors. theta energy: -49.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -520.927557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.927557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.927557 (E_RNA)
where:
Base-Base interactions energy: -353.954
where: short stacking energy: -153.664
Base-Backbone interact. energy: -1.806
local terms energy: -165.167900
where:
bonds (distance) C4'-P energy: -32.067
bonds (distance) P-C4' energy: -33.187
flat angles C4'-P-C4' energy: -31.013
flat angles P-C4'-P energy: -28.087
tors. eta vs tors. theta energy: -40.813
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: 4
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -482.581845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.581845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.581845 (E_RNA)
where:
Base-Base interactions energy: -351.888
where: short stacking energy: -151.791
Base-Backbone interact. energy: 0.100
local terms energy: -130.793639
where:
bonds (distance) C4'-P energy: -22.323
bonds (distance) P-C4' energy: -25.844
flat angles C4'-P-C4' energy: -26.638
flat angles P-C4'-P energy: -21.534
tors. eta vs tors. theta energy: -34.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -434.047296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.047296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.047296 (E_RNA)
where:
Base-Base interactions energy: -278.643
where: short stacking energy: -123.468
Base-Backbone interact. energy: -2.074
local terms energy: -153.330476
where:
bonds (distance) C4'-P energy: -26.374
bonds (distance) P-C4' energy: -31.878
flat angles C4'-P-C4' energy: -32.728
flat angles P-C4'-P energy: -24.227
tors. eta vs tors. theta energy: -38.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -386.171677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.171677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.171677 (E_RNA)
where:
Base-Base interactions energy: -263.462
where: short stacking energy: -113.874
Base-Backbone interact. energy: -1.253
local terms energy: -121.456342
where:
bonds (distance) C4'-P energy: -20.501
bonds (distance) P-C4' energy: -27.072
flat angles C4'-P-C4' energy: -28.296
flat angles P-C4'-P energy: -17.516
tors. eta vs tors. theta energy: -28.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -322.088623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.088623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.088623 (E_RNA)
where:
Base-Base interactions energy: -187.178
where: short stacking energy: -95.466
Base-Backbone interact. energy: -0.183
local terms energy: -134.727616
where:
bonds (distance) C4'-P energy: -29.055
bonds (distance) P-C4' energy: -27.554
flat angles C4'-P-C4' energy: -37.363
flat angles P-C4'-P energy: -15.144
tors. eta vs tors. theta energy: -25.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -298.288850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.288850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.288850 (E_RNA)
where:
Base-Base interactions energy: -175.494
where: short stacking energy: -88.471
Base-Backbone interact. energy: -0.616
local terms energy: -122.178688
where:
bonds (distance) C4'-P energy: -37.541
bonds (distance) P-C4' energy: -25.736
flat angles C4'-P-C4' energy: -23.140
flat angles P-C4'-P energy: -22.711
tors. eta vs tors. theta energy: -13.050
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: 431
Temperature: 1.300000
Total energy: -263.014063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.014063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.014063 (E_RNA)
where:
Base-Base interactions energy: -158.736
where: short stacking energy: -80.885
Base-Backbone interact. energy: -0.199
local terms energy: -104.079379
where:
bonds (distance) C4'-P energy: -18.704
bonds (distance) P-C4' energy: -25.546
flat angles C4'-P-C4' energy: -20.763
flat angles P-C4'-P energy: -22.310
tors. eta vs tors. theta energy: -16.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -163.072964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.072964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.072964 (E_RNA)
where:
Base-Base interactions energy: -62.573
where: short stacking energy: -48.888
Base-Backbone interact. energy: -0.328
local terms energy: -100.171638
where:
bonds (distance) C4'-P energy: -23.967
bonds (distance) P-C4' energy: -31.847
flat angles C4'-P-C4' energy: -17.920
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: -13.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -547.510748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.510748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.510748 (E_RNA)
where:
Base-Base interactions energy: -370.622
where: short stacking energy: -167.315
Base-Backbone interact. energy: 0.097
local terms energy: -176.986000
where:
bonds (distance) C4'-P energy: -34.308
bonds (distance) P-C4' energy: -36.571
flat angles C4'-P-C4' energy: -35.242
flat angles P-C4'-P energy: -25.053
tors. eta vs tors. theta energy: -45.812
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: 2
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -518.873891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.873891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.873891 (E_RNA)
where:
Base-Base interactions energy: -356.876
where: short stacking energy: -146.517
Base-Backbone interact. energy: -0.305
local terms energy: -161.692678
where:
bonds (distance) C4'-P energy: -29.908
bonds (distance) P-C4' energy: -28.428
flat angles C4'-P-C4' energy: -31.518
flat angles P-C4'-P energy: -25.937
tors. eta vs tors. theta energy: -45.902
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: 432
Temperature: 1.000000
Total energy: -489.886766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.886766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.886766 (E_RNA)
where:
Base-Base interactions energy: -335.901
where: short stacking energy: -139.383
Base-Backbone interact. energy: -0.900
local terms energy: -153.086079
where:
bonds (distance) C4'-P energy: -30.192
bonds (distance) P-C4' energy: -28.651
flat angles C4'-P-C4' energy: -33.475
flat angles P-C4'-P energy: -25.035
tors. eta vs tors. theta energy: -35.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -527.462872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.462872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.462872 (E_RNA)
where:
Base-Base interactions energy: -354.869
where: short stacking energy: -153.853
Base-Backbone interact. energy: -1.610
local terms energy: -170.983240
where:
bonds (distance) C4'-P energy: -29.446
bonds (distance) P-C4' energy: -39.667
flat angles C4'-P-C4' energy: -33.173
flat angles P-C4'-P energy: -20.829
tors. eta vs tors. theta energy: -47.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -406.753660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.753660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.753660 (E_RNA)
where:
Base-Base interactions energy: -271.151
where: short stacking energy: -118.711
Base-Backbone interact. energy: -0.320
local terms energy: -135.283222
where:
bonds (distance) C4'-P energy: -30.463
bonds (distance) P-C4' energy: -34.961
flat angles C4'-P-C4' energy: -26.376
flat angles P-C4'-P energy: -19.007
tors. eta vs tors. theta energy: -24.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -441.054008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.054008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.054008 (E_RNA)
where:
Base-Base interactions energy: -296.234
where: short stacking energy: -111.004
Base-Backbone interact. energy: -1.724
local terms energy: -143.096558
where:
bonds (distance) C4'-P energy: -24.651
bonds (distance) P-C4' energy: -29.991
flat angles C4'-P-C4' energy: -36.485
flat angles P-C4'-P energy: -20.830
tors. eta vs tors. theta energy: -31.140
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: 3
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -303.419882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.419882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.419882 (E_RNA)
where:
Base-Base interactions energy: -167.743
where: short stacking energy: -96.506
Base-Backbone interact. energy: -0.335
local terms energy: -135.341619
where:
bonds (distance) C4'-P energy: -31.456
bonds (distance) P-C4' energy: -24.387
flat angles C4'-P-C4' energy: -26.763
flat angles P-C4'-P energy: -24.221
tors. eta vs tors. theta energy: -28.515
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: 8
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -313.361356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.361356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.361356 (E_RNA)
where:
Base-Base interactions energy: -188.566
where: short stacking energy: -94.454
Base-Backbone interact. energy: -0.329
local terms energy: -124.466265
where:
bonds (distance) C4'-P energy: -28.506
bonds (distance) P-C4' energy: -25.835
flat angles C4'-P-C4' energy: -29.144
flat angles P-C4'-P energy: -20.423
tors. eta vs tors. theta energy: -20.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -279.555926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.555926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.555926 (E_RNA)
where:
Base-Base interactions energy: -169.050
where: short stacking energy: -86.665
Base-Backbone interact. energy: 2.317
local terms energy: -112.822279
where:
bonds (distance) C4'-P energy: -30.576
bonds (distance) P-C4' energy: -28.238
flat angles C4'-P-C4' energy: -24.212
flat angles P-C4'-P energy: -18.666
tors. eta vs tors. theta energy: -11.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -148.109848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.109848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.109848 (E_RNA)
where:
Base-Base interactions energy: -59.544
where: short stacking energy: -58.732
Base-Backbone interact. energy: -1.123
local terms energy: -87.443089
where:
bonds (distance) C4'-P energy: -22.452
bonds (distance) P-C4' energy: -27.895
flat angles C4'-P-C4' energy: -27.894
flat angles P-C4'-P energy: -12.504
tors. eta vs tors. theta energy: 3.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -559.505467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.505467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.505467 (E_RNA)
where:
Base-Base interactions energy: -389.928
where: short stacking energy: -173.666
Base-Backbone interact. energy: -0.002
local terms energy: -169.575263
where:
bonds (distance) C4'-P energy: -29.603
bonds (distance) P-C4' energy: -29.325
flat angles C4'-P-C4' energy: -35.310
flat angles P-C4'-P energy: -25.969
tors. eta vs tors. theta energy: -49.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -539.206491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.206491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.206491 (E_RNA)
where:
Base-Base interactions energy: -357.583
where: short stacking energy: -164.654
Base-Backbone interact. energy: -0.157
local terms energy: -181.466172
where:
bonds (distance) C4'-P energy: -27.663
bonds (distance) P-C4' energy: -37.317
flat angles C4'-P-C4' energy: -36.748
flat angles P-C4'-P energy: -27.411
tors. eta vs tors. theta energy: -52.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -511.712288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.712288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.712288 (E_RNA)
where:
Base-Base interactions energy: -338.447
where: short stacking energy: -141.866
Base-Backbone interact. energy: -1.075
local terms energy: -172.190275
where:
bonds (distance) C4'-P energy: -35.972
bonds (distance) P-C4' energy: -31.096
flat angles C4'-P-C4' energy: -37.607
flat angles P-C4'-P energy: -21.436
tors. eta vs tors. theta energy: -46.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -484.885205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.885205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.885205 (E_RNA)
where:
Base-Base interactions energy: -329.729
where: short stacking energy: -137.755
Base-Backbone interact. energy: -0.812
local terms energy: -154.343962
where:
bonds (distance) C4'-P energy: -35.627
bonds (distance) P-C4' energy: -33.247
flat angles C4'-P-C4' energy: -29.951
flat angles P-C4'-P energy: -16.895
tors. eta vs tors. theta energy: -38.625
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: 1
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -402.824782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.824782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.824782 (E_RNA)
where:
Base-Base interactions energy: -272.215
where: short stacking energy: -122.825
Base-Backbone interact. energy: -0.791
local terms energy: -129.818682
where:
bonds (distance) C4'-P energy: -22.848
bonds (distance) P-C4' energy: -33.758
flat angles C4'-P-C4' energy: -33.906
flat angles P-C4'-P energy: -20.091
tors. eta vs tors. theta energy: -19.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -399.384158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.384158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.384158 (E_RNA)
where:
Base-Base interactions energy: -266.024
where: short stacking energy: -132.579
Base-Backbone interact. energy: -0.942
local terms energy: -132.417693
where:
bonds (distance) C4'-P energy: -25.767
bonds (distance) P-C4' energy: -28.671
flat angles C4'-P-C4' energy: -33.554
flat angles P-C4'-P energy: -11.584
tors. eta vs tors. theta energy: -32.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -300.126007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.126007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.126007 (E_RNA)
where:
Base-Base interactions energy: -181.990
where: short stacking energy: -87.154
Base-Backbone interact. energy: -0.498
local terms energy: -117.637855
where:
bonds (distance) C4'-P energy: -31.643
bonds (distance) P-C4' energy: -35.276
flat angles C4'-P-C4' energy: -21.654
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -17.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -303.826894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.826894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.826894 (E_RNA)
where:
Base-Base interactions energy: -165.335
where: short stacking energy: -80.180
Base-Backbone interact. energy: -0.609
local terms energy: -137.883315
where:
bonds (distance) C4'-P energy: -33.115
bonds (distance) P-C4' energy: -34.620
flat angles C4'-P-C4' energy: -32.939
flat angles P-C4'-P energy: -21.544
tors. eta vs tors. theta energy: -15.665
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: 8
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -296.393829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.393829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.393829 (E_RNA)
where:
Base-Base interactions energy: -170.562
where: short stacking energy: -85.963
Base-Backbone interact. energy: -1.437
local terms energy: -124.395341
where:
bonds (distance) C4'-P energy: -27.775
bonds (distance) P-C4' energy: -30.548
flat angles C4'-P-C4' energy: -27.045
flat angles P-C4'-P energy: -17.529
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: 10, replica: 5
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -149.049763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.049763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.049763 (E_RNA)
where:
Base-Base interactions energy: -51.002
where: short stacking energy: -51.002
Base-Backbone interact. energy: 0.883
local terms energy: -98.930968
where:
bonds (distance) C4'-P energy: -23.457
bonds (distance) P-C4' energy: -25.498
flat angles C4'-P-C4' energy: -32.118
flat angles P-C4'-P energy: -20.040
tors. eta vs tors. theta energy: 2.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -549.503572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.503572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.503572 (E_RNA)
where:
Base-Base interactions energy: -369.772
where: short stacking energy: -166.820
Base-Backbone interact. energy: 0.075
local terms energy: -179.806227
where:
bonds (distance) C4'-P energy: -39.923
bonds (distance) P-C4' energy: -34.276
flat angles C4'-P-C4' energy: -32.607
flat angles P-C4'-P energy: -20.403
tors. eta vs tors. theta energy: -52.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -530.185011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.185011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.185011 (E_RNA)
where:
Base-Base interactions energy: -371.093
where: short stacking energy: -168.229
Base-Backbone interact. energy: 0.427
local terms energy: -159.519373
where:
bonds (distance) C4'-P energy: -25.946
bonds (distance) P-C4' energy: -26.875
flat angles C4'-P-C4' energy: -34.789
flat angles P-C4'-P energy: -25.140
tors. eta vs tors. theta energy: -46.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -505.355205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.355205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.355205 (E_RNA)
where:
Base-Base interactions energy: -354.539
where: short stacking energy: -151.953
Base-Backbone interact. energy: -0.838
local terms energy: -149.977692
where:
bonds (distance) C4'-P energy: -23.089
bonds (distance) P-C4' energy: -23.560
flat angles C4'-P-C4' energy: -35.315
flat angles P-C4'-P energy: -22.656
tors. eta vs tors. theta energy: -45.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -480.655746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.655746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.655746 (E_RNA)
where:
Base-Base interactions energy: -332.782
where: short stacking energy: -150.149
Base-Backbone interact. energy: -0.117
local terms energy: -147.756082
where:
bonds (distance) C4'-P energy: -28.763
bonds (distance) P-C4' energy: -19.810
flat angles C4'-P-C4' energy: -34.028
flat angles P-C4'-P energy: -17.766
tors. eta vs tors. theta energy: -47.389
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: 7
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -416.279818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.279818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.279818 (E_RNA)
where:
Base-Base interactions energy: -273.687
where: short stacking energy: -123.940
Base-Backbone interact. energy: -1.425
local terms energy: -141.168156
where:
bonds (distance) C4'-P energy: -26.555
bonds (distance) P-C4' energy: -31.029
flat angles C4'-P-C4' energy: -30.761
flat angles P-C4'-P energy: -23.721
tors. eta vs tors. theta energy: -29.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -378.939932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.939932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.939932 (E_RNA)
where:
Base-Base interactions energy: -263.791
where: short stacking energy: -102.355
Base-Backbone interact. energy: -1.553
local terms energy: -113.595895
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -33.571
flat angles C4'-P-C4' energy: -27.975
flat angles P-C4'-P energy: -20.208
tors. eta vs tors. theta energy: -15.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -304.501067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.501067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.501067 (E_RNA)
where:
Base-Base interactions energy: -196.991
where: short stacking energy: -97.890
Base-Backbone interact. energy: -0.735
local terms energy: -106.774678
where:
bonds (distance) C4'-P energy: -25.096
bonds (distance) P-C4' energy: -29.447
flat angles C4'-P-C4' energy: -24.323
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -15.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -284.297427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.297427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.297427 (E_RNA)
where:
Base-Base interactions energy: -170.877
where: short stacking energy: -80.679
Base-Backbone interact. energy: -0.535
local terms energy: -112.885333
where:
bonds (distance) C4'-P energy: -18.805
bonds (distance) P-C4' energy: -34.076
flat angles C4'-P-C4' energy: -33.144
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -13.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -303.423525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.423525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.423525 (E_RNA)
where:
Base-Base interactions energy: -185.962
where: short stacking energy: -89.905
Base-Backbone interact. energy: 0.744
local terms energy: -118.205652
where:
bonds (distance) C4'-P energy: -22.069
bonds (distance) P-C4' energy: -32.133
flat angles C4'-P-C4' energy: -23.250
flat angles P-C4'-P energy: -20.220
tors. eta vs tors. theta energy: -20.533
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: 5
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -156.241354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.241354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.241354 (E_RNA)
where:
Base-Base interactions energy: -59.069
where: short stacking energy: -54.740
Base-Backbone interact. energy: 0.285
local terms energy: -97.456868
where:
bonds (distance) C4'-P energy: -29.821
bonds (distance) P-C4' energy: -24.262
flat angles C4'-P-C4' energy: -27.124
flat angles P-C4'-P energy: -19.155
tors. eta vs tors. theta energy: 2.905
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: 1, replica: 2
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -546.220649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.220649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.220649 (E_RNA)
where:
Base-Base interactions energy: -375.842
where: short stacking energy: -160.621
Base-Backbone interact. energy: -1.494
local terms energy: -168.883937
where:
bonds (distance) C4'-P energy: -31.528
bonds (distance) P-C4' energy: -28.970
flat angles C4'-P-C4' energy: -35.370
flat angles P-C4'-P energy: -23.514
tors. eta vs tors. theta energy: -49.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -534.180816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.180816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.180816 (E_RNA)
where:
Base-Base interactions energy: -356.399
where: short stacking energy: -175.122
Base-Backbone interact. energy: -0.731
local terms energy: -177.050621
where:
bonds (distance) C4'-P energy: -32.343
bonds (distance) P-C4' energy: -33.760
flat angles C4'-P-C4' energy: -35.579
flat angles P-C4'-P energy: -25.491
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: 3, replica: 4
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -497.285523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.285523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.285523 (E_RNA)
where:
Base-Base interactions energy: -335.376
where: short stacking energy: -136.109
Base-Backbone interact. energy: -0.141
local terms energy: -161.768522
where:
bonds (distance) C4'-P energy: -33.127
bonds (distance) P-C4' energy: -32.037
flat angles C4'-P-C4' energy: -34.125
flat angles P-C4'-P energy: -23.660
tors. eta vs tors. theta energy: -38.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -478.546361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.546361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.546361 (E_RNA)
where:
Base-Base interactions energy: -331.776
where: short stacking energy: -133.362
Base-Backbone interact. energy: -2.026
local terms energy: -144.744220
where:
bonds (distance) C4'-P energy: -23.935
bonds (distance) P-C4' energy: -27.208
flat angles C4'-P-C4' energy: -33.250
flat angles P-C4'-P energy: -22.156
tors. eta vs tors. theta energy: -38.195
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: 7
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -435.458773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.458773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.458773 (E_RNA)
where:
Base-Base interactions energy: -283.951
where: short stacking energy: -135.889
Base-Backbone interact. energy: -2.083
local terms energy: -149.425080
where:
bonds (distance) C4'-P energy: -32.723
bonds (distance) P-C4' energy: -25.570
flat angles C4'-P-C4' energy: -33.742
flat angles P-C4'-P energy: -17.091
tors. eta vs tors. theta energy: -40.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -321.784119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.784119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.784119 (E_RNA)
where:
Base-Base interactions energy: -187.838
where: short stacking energy: -104.120
Base-Backbone interact. energy: 0.175
local terms energy: -134.120821
where:
bonds (distance) C4'-P energy: -32.406
bonds (distance) P-C4' energy: -33.060
flat angles C4'-P-C4' energy: -23.368
flat angles P-C4'-P energy: -23.772
tors. eta vs tors. theta energy: -21.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -381.189813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.189813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.189813 (E_RNA)
where:
Base-Base interactions energy: -250.588
where: short stacking energy: -119.443
Base-Backbone interact. energy: -1.023
local terms energy: -129.579077
where:
bonds (distance) C4'-P energy: -27.878
bonds (distance) P-C4' energy: -30.238
flat angles C4'-P-C4' energy: -27.219
flat angles P-C4'-P energy: -15.171
tors. eta vs tors. theta energy: -29.073
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: 8
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -312.193600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.193600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.193600 (E_RNA)
where:
Base-Base interactions energy: -188.859
where: short stacking energy: -111.342
Base-Backbone interact. energy: -0.738
local terms energy: -122.596374
where:
bonds (distance) C4'-P energy: -22.115
bonds (distance) P-C4' energy: -25.424
flat angles C4'-P-C4' energy: -34.097
flat angles P-C4'-P energy: -16.732
tors. eta vs tors. theta energy: -24.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -297.174166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.174166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.174166 (E_RNA)
where:
Base-Base interactions energy: -184.557
where: short stacking energy: -79.067
Base-Backbone interact. energy: 2.283
local terms energy: -114.900632
where:
bonds (distance) C4'-P energy: -23.445
bonds (distance) P-C4' energy: -31.805
flat angles C4'-P-C4' energy: -27.090
flat angles P-C4'-P energy: -15.446
tors. eta vs tors. theta energy: -17.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -147.053155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.053155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.053155 (E_RNA)
where:
Base-Base interactions energy: -54.559
where: short stacking energy: -50.109
Base-Backbone interact. energy: -0.156
local terms energy: -92.338106
where:
bonds (distance) C4'-P energy: -20.540
bonds (distance) P-C4' energy: -30.332
flat angles C4'-P-C4' energy: -22.879
flat angles P-C4'-P energy: -11.385
tors. eta vs tors. theta energy: -7.203
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: 6
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -532.650523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.650523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.650523 (E_RNA)
where:
Base-Base interactions energy: -368.674
where: short stacking energy: -160.693
Base-Backbone interact. energy: -0.347
local terms energy: -163.629351
where:
bonds (distance) C4'-P energy: -28.657
bonds (distance) P-C4' energy: -30.418
flat angles C4'-P-C4' energy: -38.669
flat angles P-C4'-P energy: -22.903
tors. eta vs tors. theta energy: -42.983
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: 2
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -510.612201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.612201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.612201 (E_RNA)
where:
Base-Base interactions energy: -334.702
where: short stacking energy: -156.295
Base-Backbone interact. energy: -2.597
local terms energy: -173.312947
where:
bonds (distance) C4'-P energy: -31.217
bonds (distance) P-C4' energy: -34.321
flat angles C4'-P-C4' energy: -34.387
flat angles P-C4'-P energy: -22.110
tors. eta vs tors. theta energy: -51.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -502.486914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.486914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.486914 (E_RNA)
where:
Base-Base interactions energy: -353.750
where: short stacking energy: -152.029
Base-Backbone interact. energy: 1.226
local terms energy: -149.962278
where:
bonds (distance) C4'-P energy: -27.887
bonds (distance) P-C4' energy: -31.134
flat angles C4'-P-C4' energy: -36.345
flat angles P-C4'-P energy: -19.359
tors. eta vs tors. theta energy: -35.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -485.642164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.642164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.642164 (E_RNA)
where:
Base-Base interactions energy: -318.849
where: short stacking energy: -137.001
Base-Backbone interact. energy: 0.447
local terms energy: -167.240494
where:
bonds (distance) C4'-P energy: -33.987
bonds (distance) P-C4' energy: -36.299
flat angles C4'-P-C4' energy: -34.202
flat angles P-C4'-P energy: -25.125
tors. eta vs tors. theta energy: -37.627
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: 5, replica: 7
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -428.086136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.086136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.086136 (E_RNA)
where:
Base-Base interactions energy: -286.969
where: short stacking energy: -137.376
Base-Backbone interact. energy: -1.131
local terms energy: -139.986369
where:
bonds (distance) C4'-P energy: -30.942
bonds (distance) P-C4' energy: -24.782
flat angles C4'-P-C4' energy: -32.170
flat angles P-C4'-P energy: -18.883
tors. eta vs tors. theta energy: -33.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -335.616972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.616972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.616972 (E_RNA)
where:
Base-Base interactions energy: -203.883
where: short stacking energy: -106.086
Base-Backbone interact. energy: -2.018
local terms energy: -129.716043
where:
bonds (distance) C4'-P energy: -32.003
bonds (distance) P-C4' energy: -24.381
flat angles C4'-P-C4' energy: -32.460
flat angles P-C4'-P energy: -16.435
tors. eta vs tors. theta energy: -24.437
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: 1
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -393.213231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.213231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.213231 (E_RNA)
where:
Base-Base interactions energy: -258.642
where: short stacking energy: -109.711
Base-Backbone interact. energy: -1.948
local terms energy: -132.622982
where:
bonds (distance) C4'-P energy: -28.563
bonds (distance) P-C4' energy: -27.111
flat angles C4'-P-C4' energy: -27.813
flat angles P-C4'-P energy: -22.864
tors. eta vs tors. theta energy: -26.273
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: 8
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -305.570877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.570877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.570877 (E_RNA)
where:
Base-Base interactions energy: -189.278
where: short stacking energy: -96.260
Base-Backbone interact. energy: -0.012
local terms energy: -116.280527
where:
bonds (distance) C4'-P energy: -22.692
bonds (distance) P-C4' energy: -30.442
flat angles C4'-P-C4' energy: -24.707
flat angles P-C4'-P energy: -14.869
tors. eta vs tors. theta energy: -23.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -284.880182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.880182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.880182 (E_RNA)
where:
Base-Base interactions energy: -179.590
where: short stacking energy: -68.475
Base-Backbone interact. energy: -1.651
local terms energy: -103.639133
where:
bonds (distance) C4'-P energy: -33.522
bonds (distance) P-C4' energy: -20.109
flat angles C4'-P-C4' energy: -17.789
flat angles P-C4'-P energy: -15.026
tors. eta vs tors. theta energy: -17.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -145.357800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.357800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.357800 (E_RNA)
where:
Base-Base interactions energy: -62.939
where: short stacking energy: -48.607
Base-Backbone interact. energy: -0.535
local terms energy: -81.884467
where:
bonds (distance) C4'-P energy: -19.513
bonds (distance) P-C4' energy: -24.562
flat angles C4'-P-C4' energy: -22.147
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -3.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -552.218616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.218616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.218616 (E_RNA)
where:
Base-Base interactions energy: -381.517
where: short stacking energy: -160.620
Base-Backbone interact. energy: -0.016
local terms energy: -170.685629
where:
bonds (distance) C4'-P energy: -34.489
bonds (distance) P-C4' energy: -30.824
flat angles C4'-P-C4' energy: -35.977
flat angles P-C4'-P energy: -19.406
tors. eta vs tors. theta energy: -49.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -522.968089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.968089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.968089 (E_RNA)
where:
Base-Base interactions energy: -353.683
where: short stacking energy: -155.123
Base-Backbone interact. energy: -0.055
local terms energy: -169.230162
where:
bonds (distance) C4'-P energy: -27.370
bonds (distance) P-C4' energy: -34.365
flat angles C4'-P-C4' energy: -34.915
flat angles P-C4'-P energy: -22.222
tors. eta vs tors. theta energy: -50.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -510.641931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.641931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.641931 (E_RNA)
where:
Base-Base interactions energy: -350.718
where: short stacking energy: -162.355
Base-Backbone interact. energy: -0.008
local terms energy: -159.915759
where:
bonds (distance) C4'-P energy: -29.116
bonds (distance) P-C4' energy: -27.822
flat angles C4'-P-C4' energy: -33.960
flat angles P-C4'-P energy: -22.654
tors. eta vs tors. theta energy: -46.364
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: 4, replica: 10
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -474.614291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.614291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.614291 (E_RNA)
where:
Base-Base interactions energy: -324.292
where: short stacking energy: -144.534
Base-Backbone interact. energy: 0.632
local terms energy: -150.953496
where:
bonds (distance) C4'-P energy: -25.804
bonds (distance) P-C4' energy: -31.839
flat angles C4'-P-C4' energy: -30.566
flat angles P-C4'-P energy: -23.281
tors. eta vs tors. theta energy: -39.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -423.477794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.477794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.477794 (E_RNA)
where:
Base-Base interactions energy: -281.826
where: short stacking energy: -115.398
Base-Backbone interact. energy: -1.942
local terms energy: -139.709820
where:
bonds (distance) C4'-P energy: -26.453
bonds (distance) P-C4' energy: -29.057
flat angles C4'-P-C4' energy: -28.320
flat angles P-C4'-P energy: -17.461
tors. eta vs tors. theta energy: -38.419
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: 437
Temperature: 1.150000
Total energy: -402.640420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.640420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.640420 (E_RNA)
where:
Base-Base interactions energy: -261.644
where: short stacking energy: -122.046
Base-Backbone interact. energy: -0.823
local terms energy: -140.172854
where:
bonds (distance) C4'-P energy: -26.341
bonds (distance) P-C4' energy: -29.806
flat angles C4'-P-C4' energy: -31.826
flat angles P-C4'-P energy: -22.677
tors. eta vs tors. theta energy: -29.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -321.543360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.543360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.543360 (E_RNA)
where:
Base-Base interactions energy: -199.066
where: short stacking energy: -98.986
Base-Backbone interact. energy: 1.304
local terms energy: -123.780877
where:
bonds (distance) C4'-P energy: -24.408
bonds (distance) P-C4' energy: -32.524
flat angles C4'-P-C4' energy: -22.400
flat angles P-C4'-P energy: -16.377
tors. eta vs tors. theta energy: -28.073
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: 8
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -333.847726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.847726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.847726 (E_RNA)
where:
Base-Base interactions energy: -215.638
where: short stacking energy: -118.019
Base-Backbone interact. energy: -0.925
local terms energy: -117.284568
where:
bonds (distance) C4'-P energy: -16.818
bonds (distance) P-C4' energy: -24.295
flat angles C4'-P-C4' energy: -27.758
flat angles P-C4'-P energy: -21.326
tors. eta vs tors. theta energy: -27.087
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: 9, replica: 3
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -250.201850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.201850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.201850 (E_RNA)
where:
Base-Base interactions energy: -153.789
where: short stacking energy: -77.624
Base-Backbone interact. energy: -0.195
local terms energy: -96.217423
where:
bonds (distance) C4'-P energy: -26.466
bonds (distance) P-C4' energy: -28.196
flat angles C4'-P-C4' energy: -19.436
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -12.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -144.336125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.336125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.336125 (E_RNA)
where:
Base-Base interactions energy: -43.074
where: short stacking energy: -40.990
Base-Backbone interact. energy: -0.613
local terms energy: -100.649079
where:
bonds (distance) C4'-P energy: -24.996
bonds (distance) P-C4' energy: -35.064
flat angles C4'-P-C4' energy: -31.403
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: 2.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -525.318581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.318581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.318581 (E_RNA)
where:
Base-Base interactions energy: -357.071
where: short stacking energy: -159.403
Base-Backbone interact. energy: -0.177
local terms energy: -168.070391
where:
bonds (distance) C4'-P energy: -28.173
bonds (distance) P-C4' energy: -33.102
flat angles C4'-P-C4' energy: -34.082
flat angles P-C4'-P energy: -22.483
tors. eta vs tors. theta energy: -50.230
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: 6
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -545.775323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.775323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.775323 (E_RNA)
where:
Base-Base interactions energy: -375.666
where: short stacking energy: -166.147
Base-Backbone interact. energy: -0.094
local terms energy: -170.015497
where:
bonds (distance) C4'-P energy: -28.980
bonds (distance) P-C4' energy: -34.992
flat angles C4'-P-C4' energy: -37.381
flat angles P-C4'-P energy: -24.791
tors. eta vs tors. theta energy: -43.872
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: 3, replica: 10
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -496.077986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.077986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.077986 (E_RNA)
where:
Base-Base interactions energy: -356.792
where: short stacking energy: -154.643
Base-Backbone interact. energy: 0.390
local terms energy: -139.675864
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -26.500
flat angles C4'-P-C4' energy: -30.237
flat angles P-C4'-P energy: -26.902
tors. eta vs tors. theta energy: -37.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -508.339087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.339087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.339087 (E_RNA)
where:
Base-Base interactions energy: -348.196
where: short stacking energy: -155.300
Base-Backbone interact. energy: 0.701
local terms energy: -160.844291
where:
bonds (distance) C4'-P energy: -32.052
bonds (distance) P-C4' energy: -30.087
flat angles C4'-P-C4' energy: -30.635
flat angles P-C4'-P energy: -24.813
tors. eta vs tors. theta energy: -43.258
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: 5, replica: 1
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -395.248650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.248650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.248650 (E_RNA)
where:
Base-Base interactions energy: -275.380
where: short stacking energy: -127.294
Base-Backbone interact. energy: 0.893
local terms energy: -120.762095
where:
bonds (distance) C4'-P energy: -21.971
bonds (distance) P-C4' energy: -25.004
flat angles C4'-P-C4' energy: -31.632
flat angles P-C4'-P energy: -16.577
tors. eta vs tors. theta energy: -25.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -418.680074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.680074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.680074 (E_RNA)
where:
Base-Base interactions energy: -281.314
where: short stacking energy: -124.289
Base-Backbone interact. energy: -0.873
local terms energy: -136.492871
where:
bonds (distance) C4'-P energy: -21.340
bonds (distance) P-C4' energy: -32.132
flat angles C4'-P-C4' energy: -30.362
flat angles P-C4'-P energy: -17.828
tors. eta vs tors. theta energy: -34.831
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: 7, replica: 8
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -324.838024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.838024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.838024 (E_RNA)
where:
Base-Base interactions energy: -217.569
where: short stacking energy: -96.136
Base-Backbone interact. energy: -0.606
local terms energy: -106.663643
where:
bonds (distance) C4'-P energy: -25.819
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -30.168
flat angles P-C4'-P energy: -15.515
tors. eta vs tors. theta energy: -18.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -318.415187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.415187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.415187 (E_RNA)
where:
Base-Base interactions energy: -200.806
where: short stacking energy: -102.949
Base-Backbone interact. energy: -0.551
local terms energy: -117.058156
where:
bonds (distance) C4'-P energy: -23.806
bonds (distance) P-C4' energy: -27.476
flat angles C4'-P-C4' energy: -27.255
flat angles P-C4'-P energy: -19.730
tors. eta vs tors. theta energy: -18.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -163.689389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.689389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.689389 (E_RNA)
where:
Base-Base interactions energy: -62.803
where: short stacking energy: -54.290
Base-Backbone interact. energy: -0.173
local terms energy: -100.713490
where:
bonds (distance) C4'-P energy: -28.372
bonds (distance) P-C4' energy: -29.023
flat angles C4'-P-C4' energy: -25.958
flat angles P-C4'-P energy: -13.755
tors. eta vs tors. theta energy: -3.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -204.224850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.224850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.224850 (E_RNA)
where:
Base-Base interactions energy: -103.210
where: short stacking energy: -59.452
Base-Backbone interact. energy: -0.114
local terms energy: -100.901490
where:
bonds (distance) C4'-P energy: -25.254
bonds (distance) P-C4' energy: -27.228
flat angles C4'-P-C4' energy: -23.063
flat angles P-C4'-P energy: -22.186
tors. eta vs tors. theta energy: -3.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -524.254384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.254384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.254384 (E_RNA)
where:
Base-Base interactions energy: -364.547
where: short stacking energy: -153.922
Base-Backbone interact. energy: -0.701
local terms energy: -159.005710
where:
bonds (distance) C4'-P energy: -28.629
bonds (distance) P-C4' energy: -28.038
flat angles C4'-P-C4' energy: -31.702
flat angles P-C4'-P energy: -29.321
tors. eta vs tors. theta energy: -41.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -538.339086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.339086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.339086 (E_RNA)
where:
Base-Base interactions energy: -379.170
where: short stacking energy: -166.033
Base-Backbone interact. energy: -0.055
local terms energy: -159.114383
where:
bonds (distance) C4'-P energy: -20.663
bonds (distance) P-C4' energy: -32.583
flat angles C4'-P-C4' energy: -37.110
flat angles P-C4'-P energy: -23.511
tors. eta vs tors. theta energy: -45.247
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: 10
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -490.771672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.771672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.771672 (E_RNA)
where:
Base-Base interactions energy: -333.704
where: short stacking energy: -138.550
Base-Backbone interact. energy: -1.087
local terms energy: -155.979965
where:
bonds (distance) C4'-P energy: -25.112
bonds (distance) P-C4' energy: -35.548
flat angles C4'-P-C4' energy: -32.144
flat angles P-C4'-P energy: -23.225
tors. eta vs tors. theta energy: -39.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -494.814037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.814037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.814037 (E_RNA)
where:
Base-Base interactions energy: -331.626
where: short stacking energy: -149.805
Base-Backbone interact. energy: -1.051
local terms energy: -162.137461
where:
bonds (distance) C4'-P energy: -28.782
bonds (distance) P-C4' energy: -25.151
flat angles C4'-P-C4' energy: -36.100
flat angles P-C4'-P energy: -22.496
tors. eta vs tors. theta energy: -49.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -380.758007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.758007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.758007 (E_RNA)
where:
Base-Base interactions energy: -253.674
where: short stacking energy: -108.189
Base-Backbone interact. energy: -0.359
local terms energy: -126.725036
where:
bonds (distance) C4'-P energy: -25.624
bonds (distance) P-C4' energy: -24.608
flat angles C4'-P-C4' energy: -30.126
flat angles P-C4'-P energy: -26.792
tors. eta vs tors. theta energy: -19.576
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: 7
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -445.102736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.102736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.102736 (E_RNA)
where:
Base-Base interactions energy: -292.283
where: short stacking energy: -134.487
Base-Backbone interact. energy: -1.931
local terms energy: -150.888451
where:
bonds (distance) C4'-P energy: -28.985
bonds (distance) P-C4' energy: -29.555
flat angles C4'-P-C4' energy: -37.330
flat angles P-C4'-P energy: -16.822
tors. eta vs tors. theta energy: -38.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -317.031325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.031325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.031325 (E_RNA)
where:
Base-Base interactions energy: -188.489
where: short stacking energy: -83.163
Base-Backbone interact. energy: -0.316
local terms energy: -128.226480
where:
bonds (distance) C4'-P energy: -27.117
bonds (distance) P-C4' energy: -36.211
flat angles C4'-P-C4' energy: -30.509
flat angles P-C4'-P energy: -16.896
tors. eta vs tors. theta energy: -17.493
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: 9
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -272.817926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.817926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.817926 (E_RNA)
where:
Base-Base interactions energy: -169.669
where: short stacking energy: -76.795
Base-Backbone interact. energy: 0.105
local terms energy: -103.253242
where:
bonds (distance) C4'-P energy: -19.268
bonds (distance) P-C4' energy: -29.837
flat angles C4'-P-C4' energy: -30.612
flat angles P-C4'-P energy: -14.589
tors. eta vs tors. theta energy: -8.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -167.752506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.752506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.752506 (E_RNA)
where:
Base-Base interactions energy: -75.200
where: short stacking energy: -66.386
Base-Backbone interact. energy: 1.004
local terms energy: -93.556022
where:
bonds (distance) C4'-P energy: -27.407
bonds (distance) P-C4' energy: -26.896
flat angles C4'-P-C4' energy: -20.046
flat angles P-C4'-P energy: -15.262
tors. eta vs tors. theta energy: -3.945
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: 10, replica: 3
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -220.644826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.644826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.644826 (E_RNA)
where:
Base-Base interactions energy: -121.422
where: short stacking energy: -73.912
Base-Backbone interact. energy: -0.331
local terms energy: -98.891763
where:
bonds (distance) C4'-P energy: -18.173
bonds (distance) P-C4' energy: -29.993
flat angles C4'-P-C4' energy: -24.770
flat angles P-C4'-P energy: -13.795
tors. eta vs tors. theta energy: -12.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -530.313462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.313462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.313462 (E_RNA)
where:
Base-Base interactions energy: -361.232
where: short stacking energy: -160.213
Base-Backbone interact. energy: -0.013
local terms energy: -169.069286
where:
bonds (distance) C4'-P energy: -33.165
bonds (distance) P-C4' energy: -36.237
flat angles C4'-P-C4' energy: -33.870
flat angles P-C4'-P energy: -19.470
tors. eta vs tors. theta energy: -46.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -520.402031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.402031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.402031 (E_RNA)
where:
Base-Base interactions energy: -351.894
where: short stacking energy: -145.370
Base-Backbone interact. energy: -0.032
local terms energy: -168.476493
where:
bonds (distance) C4'-P energy: -35.318
bonds (distance) P-C4' energy: -34.136
flat angles C4'-P-C4' energy: -33.745
flat angles P-C4'-P energy: -27.531
tors. eta vs tors. theta energy: -37.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -501.361551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.361551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.361551 (E_RNA)
where:
Base-Base interactions energy: -336.081
where: short stacking energy: -157.021
Base-Backbone interact. energy: -0.154
local terms energy: -165.126221
where:
bonds (distance) C4'-P energy: -30.931
bonds (distance) P-C4' energy: -28.839
flat angles C4'-P-C4' energy: -38.273
flat angles P-C4'-P energy: -24.002
tors. eta vs tors. theta energy: -43.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -480.253119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.253119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.253119 (E_RNA)
where:
Base-Base interactions energy: -328.372
where: short stacking energy: -136.944
Base-Backbone interact. energy: -0.596
local terms energy: -151.285104
where:
bonds (distance) C4'-P energy: -34.358
bonds (distance) P-C4' energy: -32.765
flat angles C4'-P-C4' energy: -31.129
flat angles P-C4'-P energy: -23.877
tors. eta vs tors. theta energy: -29.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -434.967407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.967407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.967407 (E_RNA)
where:
Base-Base interactions energy: -300.334
where: short stacking energy: -140.073
Base-Backbone interact. energy: -1.067
local terms energy: -133.566091
where:
bonds (distance) C4'-P energy: -23.067
bonds (distance) P-C4' energy: -31.922
flat angles C4'-P-C4' energy: -26.714
flat angles P-C4'-P energy: -18.146
tors. eta vs tors. theta energy: -33.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -343.146987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.146987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.146987 (E_RNA)
where:
Base-Base interactions energy: -216.125
where: short stacking energy: -99.496
Base-Backbone interact. energy: -0.364
local terms energy: -126.658651
where:
bonds (distance) C4'-P energy: -31.982
bonds (distance) P-C4' energy: -25.649
flat angles C4'-P-C4' energy: -32.194
flat angles P-C4'-P energy: -13.913
tors. eta vs tors. theta energy: -22.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -276.387982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.387982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.387982 (E_RNA)
where:
Base-Base interactions energy: -155.181
where: short stacking energy: -83.580
Base-Backbone interact. energy: -0.093
local terms energy: -121.114290
where:
bonds (distance) C4'-P energy: -30.321
bonds (distance) P-C4' energy: -33.862
flat angles C4'-P-C4' energy: -23.326
flat angles P-C4'-P energy: -14.304
tors. eta vs tors. theta energy: -19.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -313.065510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.065510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.065510 (E_RNA)
where:
Base-Base interactions energy: -190.348
where: short stacking energy: -95.796
Base-Backbone interact. energy: -0.025
local terms energy: -122.691661
where:
bonds (distance) C4'-P energy: -26.960
bonds (distance) P-C4' energy: -28.759
flat angles C4'-P-C4' energy: -22.618
flat angles P-C4'-P energy: -21.775
tors. eta vs tors. theta energy: -22.578
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: 9, replica: 3
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -241.096918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.096918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.096918 (E_RNA)
where:
Base-Base interactions energy: -139.034
where: short stacking energy: -91.044
Base-Backbone interact. energy: -0.656
local terms energy: -101.406727
where:
bonds (distance) C4'-P energy: -25.264
bonds (distance) P-C4' energy: -24.853
flat angles C4'-P-C4' energy: -20.579
flat angles P-C4'-P energy: -14.673
tors. eta vs tors. theta energy: -16.038
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: 5
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -147.936418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.936418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.936418 (E_RNA)
where:
Base-Base interactions energy: -54.223
where: short stacking energy: -35.889
Base-Backbone interact. energy: -0.299
local terms energy: -93.413988
where:
bonds (distance) C4'-P energy: -29.281
bonds (distance) P-C4' energy: -29.876
flat angles C4'-P-C4' energy: -18.437
flat angles P-C4'-P energy: -12.158
tors. eta vs tors. theta energy: -3.662
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: 2
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -527.150567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.150567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.150567 (E_RNA)
where:
Base-Base interactions energy: -355.901
where: short stacking energy: -166.692
Base-Backbone interact. energy: -0.903
local terms energy: -170.346521
where:
bonds (distance) C4'-P energy: -27.759
bonds (distance) P-C4' energy: -34.374
flat angles C4'-P-C4' energy: -35.053
flat angles P-C4'-P energy: -22.163
tors. eta vs tors. theta energy: -50.997
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: 4
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -525.117119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.117119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.117119 (E_RNA)
where:
Base-Base interactions energy: -358.422
where: short stacking energy: -165.622
Base-Backbone interact. energy: -0.155
local terms energy: -166.540428
where:
bonds (distance) C4'-P energy: -29.042
bonds (distance) P-C4' energy: -29.567
flat angles C4'-P-C4' energy: -34.365
flat angles P-C4'-P energy: -30.398
tors. eta vs tors. theta energy: -43.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -520.048018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.048018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.048018 (E_RNA)
where:
Base-Base interactions energy: -362.392
where: short stacking energy: -149.462
Base-Backbone interact. energy: -0.152
local terms energy: -157.504256
where:
bonds (distance) C4'-P energy: -33.961
bonds (distance) P-C4' energy: -26.734
flat angles C4'-P-C4' energy: -32.179
flat angles P-C4'-P energy: -19.482
tors. eta vs tors. theta energy: -45.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -452.225876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.225876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.225876 (E_RNA)
where:
Base-Base interactions energy: -304.300
where: short stacking energy: -147.262
Base-Backbone interact. energy: 2.022
local terms energy: -149.947912
where:
bonds (distance) C4'-P energy: -26.640
bonds (distance) P-C4' energy: -26.408
flat angles C4'-P-C4' energy: -33.907
flat angles P-C4'-P energy: -22.364
tors. eta vs tors. theta energy: -40.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -439.215158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.215158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.215158 (E_RNA)
where:
Base-Base interactions energy: -303.258
where: short stacking energy: -135.027
Base-Backbone interact. energy: -0.133
local terms energy: -135.824386
where:
bonds (distance) C4'-P energy: -30.503
bonds (distance) P-C4' energy: -26.064
flat angles C4'-P-C4' energy: -30.543
flat angles P-C4'-P energy: -17.226
tors. eta vs tors. theta energy: -31.489
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: 1
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -366.916818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.916818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.916818 (E_RNA)
where:
Base-Base interactions energy: -234.948
where: short stacking energy: -87.166
Base-Backbone interact. energy: -1.018
local terms energy: -130.950606
where:
bonds (distance) C4'-P energy: -33.674
bonds (distance) P-C4' energy: -28.670
flat angles C4'-P-C4' energy: -27.737
flat angles P-C4'-P energy: -21.866
tors. eta vs tors. theta energy: -19.003
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: 9
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -333.713080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.713080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.713080 (E_RNA)
where:
Base-Base interactions energy: -203.778
where: short stacking energy: -96.870
Base-Backbone interact. energy: -0.046
local terms energy: -129.889703
where:
bonds (distance) C4'-P energy: -25.980
bonds (distance) P-C4' energy: -31.732
flat angles C4'-P-C4' energy: -33.394
flat angles P-C4'-P energy: -16.309
tors. eta vs tors. theta energy: -22.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -338.717378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.717378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.717378 (E_RNA)
where:
Base-Base interactions energy: -206.449
where: short stacking energy: -105.638
Base-Backbone interact. energy: -0.224
local terms energy: -132.045143
where:
bonds (distance) C4'-P energy: -33.316
bonds (distance) P-C4' energy: -26.226
flat angles C4'-P-C4' energy: -23.621
flat angles P-C4'-P energy: -22.512
tors. eta vs tors. theta energy: -26.370
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: 9, replica: 3
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -257.299851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.299851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.299851 (E_RNA)
where:
Base-Base interactions energy: -143.492
where: short stacking energy: -81.781
Base-Backbone interact. energy: 1.013
local terms energy: -114.820521
where:
bonds (distance) C4'-P energy: -24.255
bonds (distance) P-C4' energy: -28.211
flat angles C4'-P-C4' energy: -28.301
flat angles P-C4'-P energy: -22.052
tors. eta vs tors. theta energy: -12.003
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: 5
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -140.050586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.050586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.050586 (E_RNA)
where:
Base-Base interactions energy: -49.307
where: short stacking energy: -39.183
Base-Backbone interact. energy: -0.792
local terms energy: -89.951692
where:
bonds (distance) C4'-P energy: -26.784
bonds (distance) P-C4' energy: -29.896
flat angles C4'-P-C4' energy: -25.288
flat angles P-C4'-P energy: -14.616
tors. eta vs tors. theta energy: 6.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -515.389281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.389281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.389281 (E_RNA)
where:
Base-Base interactions energy: -353.432
where: short stacking energy: -160.483
Base-Backbone interact. energy: 0.150
local terms energy: -162.107759
where:
bonds (distance) C4'-P energy: -30.797
bonds (distance) P-C4' energy: -26.037
flat angles C4'-P-C4' energy: -33.581
flat angles P-C4'-P energy: -26.666
tors. eta vs tors. theta energy: -45.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -511.755665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.755665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.755665 (E_RNA)
where:
Base-Base interactions energy: -350.143
where: short stacking energy: -148.226
Base-Backbone interact. energy: -0.509
local terms energy: -161.103176
where:
bonds (distance) C4'-P energy: -26.846
bonds (distance) P-C4' energy: -33.286
flat angles C4'-P-C4' energy: -34.863
flat angles P-C4'-P energy: -25.386
tors. eta vs tors. theta energy: -40.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -514.712701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.712701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.712701 (E_RNA)
where:
Base-Base interactions energy: -357.201
where: short stacking energy: -140.518
Base-Backbone interact. energy: -0.883
local terms energy: -156.627981
where:
bonds (distance) C4'-P energy: -27.796
bonds (distance) P-C4' energy: -29.402
flat angles C4'-P-C4' energy: -29.625
flat angles P-C4'-P energy: -27.998
tors. eta vs tors. theta energy: -41.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -441.759078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.759078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.759078 (E_RNA)
where:
Base-Base interactions energy: -292.556
where: short stacking energy: -141.488
Base-Backbone interact. energy: -0.042
local terms energy: -149.161616
where:
bonds (distance) C4'-P energy: -27.069
bonds (distance) P-C4' energy: -28.891
flat angles C4'-P-C4' energy: -36.550
flat angles P-C4'-P energy: -20.574
tors. eta vs tors. theta energy: -36.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -451.847634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.847634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.847634 (E_RNA)
where:
Base-Base interactions energy: -297.697
where: short stacking energy: -133.074
Base-Backbone interact. energy: 0.346
local terms energy: -154.496279
where:
bonds (distance) C4'-P energy: -24.803
bonds (distance) P-C4' energy: -32.502
flat angles C4'-P-C4' energy: -30.143
flat angles P-C4'-P energy: -27.415
tors. eta vs tors. theta energy: -39.634
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: 1
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -409.758917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.758917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.758917 (E_RNA)
where:
Base-Base interactions energy: -261.272
where: short stacking energy: -116.485
Base-Backbone interact. energy: -1.266
local terms energy: -147.221259
where:
bonds (distance) C4'-P energy: -34.572
bonds (distance) P-C4' energy: -31.088
flat angles C4'-P-C4' energy: -28.455
flat angles P-C4'-P energy: -19.488
tors. eta vs tors. theta energy: -33.618
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: 8
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -347.079077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.079077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.079077 (E_RNA)
where:
Base-Base interactions energy: -222.513
where: short stacking energy: -106.963
Base-Backbone interact. energy: -1.081
local terms energy: -123.485508
where:
bonds (distance) C4'-P energy: -23.577
bonds (distance) P-C4' energy: -28.265
flat angles C4'-P-C4' energy: -29.158
flat angles P-C4'-P energy: -16.923
tors. eta vs tors. theta energy: -25.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -359.827536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.827536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.827536 (E_RNA)
where:
Base-Base interactions energy: -238.836
where: short stacking energy: -97.605
Base-Backbone interact. energy: -0.077
local terms energy: -120.914673
where:
bonds (distance) C4'-P energy: -22.268
bonds (distance) P-C4' energy: -28.667
flat angles C4'-P-C4' energy: -34.139
flat angles P-C4'-P energy: -22.407
tors. eta vs tors. theta energy: -13.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -222.974294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.974294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.974294 (E_RNA)
where:
Base-Base interactions energy: -116.605
where: short stacking energy: -60.044
Base-Backbone interact. energy: 1.393
local terms energy: -107.762389
where:
bonds (distance) C4'-P energy: -21.263
bonds (distance) P-C4' energy: -29.948
flat angles C4'-P-C4' energy: -28.946
flat angles P-C4'-P energy: -14.391
tors. eta vs tors. theta energy: -13.214
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: 10, replica: 5
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -153.453333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.453333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.453333 (E_RNA)
where:
Base-Base interactions energy: -51.292
where: short stacking energy: -47.276
Base-Backbone interact. energy: 0.801
local terms energy: -102.962478
where:
bonds (distance) C4'-P energy: -29.723
bonds (distance) P-C4' energy: -26.420
flat angles C4'-P-C4' energy: -30.162
flat angles P-C4'-P energy: -15.834
tors. eta vs tors. theta energy: -0.824
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: 1, replica: 2
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -520.285828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.285828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.285828 (E_RNA)
where:
Base-Base interactions energy: -349.753
where: short stacking energy: -156.644
Base-Backbone interact. energy: -1.322
local terms energy: -169.210907
where:
bonds (distance) C4'-P energy: -34.325
bonds (distance) P-C4' energy: -36.861
flat angles C4'-P-C4' energy: -34.321
flat angles P-C4'-P energy: -18.967
tors. eta vs tors. theta energy: -44.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -526.004937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.004937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.004937 (E_RNA)
where:
Base-Base interactions energy: -363.732
where: short stacking energy: -172.873
Base-Backbone interact. energy: -0.348
local terms energy: -161.924797
where:
bonds (distance) C4'-P energy: -28.424
bonds (distance) P-C4' energy: -34.055
flat angles C4'-P-C4' energy: -29.084
flat angles P-C4'-P energy: -21.139
tors. eta vs tors. theta energy: -49.224
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: 4
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -492.297757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.297757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.297757 (E_RNA)
where:
Base-Base interactions energy: -333.346
where: short stacking energy: -149.206
Base-Backbone interact. energy: -0.234
local terms energy: -158.718581
where:
bonds (distance) C4'-P energy: -31.356
bonds (distance) P-C4' energy: -28.122
flat angles C4'-P-C4' energy: -32.756
flat angles P-C4'-P energy: -21.069
tors. eta vs tors. theta energy: -45.416
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: 443
Temperature: 1.050000
Total energy: -480.028676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.028676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.028676 (E_RNA)
where:
Base-Base interactions energy: -322.137
where: short stacking energy: -141.946
Base-Backbone interact. energy: 2.120
local terms energy: -160.012193
where:
bonds (distance) C4'-P energy: -31.994
bonds (distance) P-C4' energy: -36.591
flat angles C4'-P-C4' energy: -37.846
flat angles P-C4'-P energy: -21.675
tors. eta vs tors. theta energy: -31.906
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: 7
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -427.884317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.884317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.884317 (E_RNA)
where:
Base-Base interactions energy: -285.733
where: short stacking energy: -128.364
Base-Backbone interact. energy: -0.791
local terms energy: -141.359644
where:
bonds (distance) C4'-P energy: -30.069
bonds (distance) P-C4' energy: -23.498
flat angles C4'-P-C4' energy: -27.006
flat angles P-C4'-P energy: -25.604
tors. eta vs tors. theta energy: -35.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -417.034841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.034841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.034841 (E_RNA)
where:
Base-Base interactions energy: -278.732
where: short stacking energy: -126.202
Base-Backbone interact. energy: -0.328
local terms energy: -137.974867
where:
bonds (distance) C4'-P energy: -24.538
bonds (distance) P-C4' energy: -31.870
flat angles C4'-P-C4' energy: -27.228
flat angles P-C4'-P energy: -16.997
tors. eta vs tors. theta energy: -37.341
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: 8
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -341.986612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.986612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.986612 (E_RNA)
where:
Base-Base interactions energy: -219.597
where: short stacking energy: -111.191
Base-Backbone interact. energy: 1.682
local terms energy: -124.072449
where:
bonds (distance) C4'-P energy: -23.578
bonds (distance) P-C4' energy: -21.225
flat angles C4'-P-C4' energy: -28.393
flat angles P-C4'-P energy: -21.989
tors. eta vs tors. theta energy: -28.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -352.527068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.527068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.527068 (E_RNA)
where:
Base-Base interactions energy: -230.147
where: short stacking energy: -94.315
Base-Backbone interact. energy: -0.323
local terms energy: -122.057535
where:
bonds (distance) C4'-P energy: -29.701
bonds (distance) P-C4' energy: -28.785
flat angles C4'-P-C4' energy: -30.130
flat angles P-C4'-P energy: -9.947
tors. eta vs tors. theta energy: -23.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -268.561224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.561224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.561224 (E_RNA)
where:
Base-Base interactions energy: -160.082
where: short stacking energy: -85.502
Base-Backbone interact. energy: -0.554
local terms energy: -107.925057
where:
bonds (distance) C4'-P energy: -28.341
bonds (distance) P-C4' energy: -25.769
flat angles C4'-P-C4' energy: -22.531
flat angles P-C4'-P energy: -19.465
tors. eta vs tors. theta energy: -11.818
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: 5
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -145.690157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.690157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.690157 (E_RNA)
where:
Base-Base interactions energy: -58.767
where: short stacking energy: -44.384
Base-Backbone interact. energy: -0.220
local terms energy: -86.703453
where:
bonds (distance) C4'-P energy: -24.784
bonds (distance) P-C4' energy: -31.225
flat angles C4'-P-C4' energy: -24.565
flat angles P-C4'-P energy: -13.774
tors. eta vs tors. theta energy: 7.644
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: 6
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -537.150550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.150550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.150550 (E_RNA)
where:
Base-Base interactions energy: -364.690
where: short stacking energy: -168.197
Base-Backbone interact. energy: 0.837
local terms energy: -173.298018
where:
bonds (distance) C4'-P energy: -30.645
bonds (distance) P-C4' energy: -38.209
flat angles C4'-P-C4' energy: -35.047
flat angles P-C4'-P energy: -19.846
tors. eta vs tors. theta energy: -49.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -544.027851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.027851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.027851 (E_RNA)
where:
Base-Base interactions energy: -362.184
where: short stacking energy: -169.760
Base-Backbone interact. energy: -0.588
local terms energy: -181.256172
where:
bonds (distance) C4'-P energy: -33.132
bonds (distance) P-C4' energy: -35.848
flat angles C4'-P-C4' energy: -33.996
flat angles P-C4'-P energy: -24.438
tors. eta vs tors. theta energy: -53.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -507.757047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.757047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.757047 (E_RNA)
where:
Base-Base interactions energy: -347.057
where: short stacking energy: -151.843
Base-Backbone interact. energy: 0.138
local terms energy: -160.837749
where:
bonds (distance) C4'-P energy: -31.914
bonds (distance) P-C4' energy: -27.346
flat angles C4'-P-C4' energy: -35.931
flat angles P-C4'-P energy: -21.894
tors. eta vs tors. theta energy: -43.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -477.918435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.918435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.918435 (E_RNA)
where:
Base-Base interactions energy: -330.403
where: short stacking energy: -140.938
Base-Backbone interact. energy: -0.232
local terms energy: -147.283478
where:
bonds (distance) C4'-P energy: -28.110
bonds (distance) P-C4' energy: -33.520
flat angles C4'-P-C4' energy: -28.989
flat angles P-C4'-P energy: -18.009
tors. eta vs tors. theta energy: -38.656
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: 1
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -428.511345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.511345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.511345 (E_RNA)
where:
Base-Base interactions energy: -282.561
where: short stacking energy: -120.509
Base-Backbone interact. energy: -0.197
local terms energy: -145.753570
where:
bonds (distance) C4'-P energy: -30.268
bonds (distance) P-C4' energy: -26.746
flat angles C4'-P-C4' energy: -31.638
flat angles P-C4'-P energy: -23.822
tors. eta vs tors. theta energy: -33.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -417.030442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.030442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.030442 (E_RNA)
where:
Base-Base interactions energy: -269.420
where: short stacking energy: -130.357
Base-Backbone interact. energy: -2.055
local terms energy: -145.555436
where:
bonds (distance) C4'-P energy: -34.913
bonds (distance) P-C4' energy: -24.481
flat angles C4'-P-C4' energy: -28.605
flat angles P-C4'-P energy: -20.545
tors. eta vs tors. theta energy: -37.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -339.924827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.924827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.924827 (E_RNA)
where:
Base-Base interactions energy: -214.763
where: short stacking energy: -79.481
Base-Backbone interact. energy: 1.002
local terms energy: -126.163906
where:
bonds (distance) C4'-P energy: -28.103
bonds (distance) P-C4' energy: -30.174
flat angles C4'-P-C4' energy: -30.160
flat angles P-C4'-P energy: -20.705
tors. eta vs tors. theta energy: -17.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -301.727540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.727540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.727540 (E_RNA)
where:
Base-Base interactions energy: -185.520
where: short stacking energy: -96.962
Base-Backbone interact. energy: -0.925
local terms energy: -115.283253
where:
bonds (distance) C4'-P energy: -25.216
bonds (distance) P-C4' energy: -26.584
flat angles C4'-P-C4' energy: -24.811
flat angles P-C4'-P energy: -21.515
tors. eta vs tors. theta energy: -17.157
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: 9, replica: 3
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -284.394920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.394920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.394920 (E_RNA)
where:
Base-Base interactions energy: -166.900
where: short stacking energy: -94.411
Base-Backbone interact. energy: -1.175
local terms energy: -116.319264
where:
bonds (distance) C4'-P energy: -27.250
bonds (distance) P-C4' energy: -26.016
flat angles C4'-P-C4' energy: -25.610
flat angles P-C4'-P energy: -18.464
tors. eta vs tors. theta energy: -18.979
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: 5
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -156.166725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.166725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.166725 (E_RNA)
where:
Base-Base interactions energy: -52.421
where: short stacking energy: -51.827
Base-Backbone interact. energy: -0.348
local terms energy: -103.397481
where:
bonds (distance) C4'-P energy: -32.784
bonds (distance) P-C4' energy: -23.920
flat angles C4'-P-C4' energy: -27.604
flat angles P-C4'-P energy: -17.336
tors. eta vs tors. theta energy: -1.753
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: 6
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -540.387567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.387567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.387567 (E_RNA)
where:
Base-Base interactions energy: -371.215
where: short stacking energy: -164.792
Base-Backbone interact. energy: -0.017
local terms energy: -169.155622
where:
bonds (distance) C4'-P energy: -26.778
bonds (distance) P-C4' energy: -34.613
flat angles C4'-P-C4' energy: -33.705
flat angles P-C4'-P energy: -24.975
tors. eta vs tors. theta energy: -49.085
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: 2
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -532.303689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.303689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.303689 (E_RNA)
where:
Base-Base interactions energy: -363.600
where: short stacking energy: -161.594
Base-Backbone interact. energy: -1.584
local terms energy: -167.119029
where:
bonds (distance) C4'-P energy: -27.522
bonds (distance) P-C4' energy: -30.011
flat angles C4'-P-C4' energy: -37.140
flat angles P-C4'-P energy: -19.924
tors. eta vs tors. theta energy: -52.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -495.699132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.699132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.699132 (E_RNA)
where:
Base-Base interactions energy: -341.110
where: short stacking energy: -142.840
Base-Backbone interact. energy: -1.658
local terms energy: -152.930942
where:
bonds (distance) C4'-P energy: -20.680
bonds (distance) P-C4' energy: -31.473
flat angles C4'-P-C4' energy: -28.889
flat angles P-C4'-P energy: -29.300
tors. eta vs tors. theta energy: -42.589
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: 445
Temperature: 1.050000
Total energy: -474.860314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.860314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.860314 (E_RNA)
where:
Base-Base interactions energy: -317.417
where: short stacking energy: -142.215
Base-Backbone interact. energy: -1.098
local terms energy: -156.345157
where:
bonds (distance) C4'-P energy: -29.387
bonds (distance) P-C4' energy: -30.023
flat angles C4'-P-C4' energy: -34.205
flat angles P-C4'-P energy: -21.384
tors. eta vs tors. theta energy: -41.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -439.000244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.000244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.000244 (E_RNA)
where:
Base-Base interactions energy: -295.223
where: short stacking energy: -139.522
Base-Backbone interact. energy: -0.078
local terms energy: -143.698940
where:
bonds (distance) C4'-P energy: -21.379
bonds (distance) P-C4' energy: -32.207
flat angles C4'-P-C4' energy: -27.142
flat angles P-C4'-P energy: -22.336
tors. eta vs tors. theta energy: -40.635
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: 7
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -408.180015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.180015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.180015 (E_RNA)
where:
Base-Base interactions energy: -276.563
where: short stacking energy: -126.005
Base-Backbone interact. energy: -2.142
local terms energy: -129.475219
where:
bonds (distance) C4'-P energy: -22.804
bonds (distance) P-C4' energy: -26.830
flat angles C4'-P-C4' energy: -31.212
flat angles P-C4'-P energy: -17.453
tors. eta vs tors. theta energy: -31.176
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: 9
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -349.476446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.476446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.476446 (E_RNA)
where:
Base-Base interactions energy: -235.073
where: short stacking energy: -97.234
Base-Backbone interact. energy: -0.151
local terms energy: -114.252938
where:
bonds (distance) C4'-P energy: -26.554
bonds (distance) P-C4' energy: -27.222
flat angles C4'-P-C4' energy: -32.848
flat angles P-C4'-P energy: -11.445
tors. eta vs tors. theta energy: -16.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -334.940977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.940977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.940977 (E_RNA)
where:
Base-Base interactions energy: -206.256
where: short stacking energy: -97.595
Base-Backbone interact. energy: 0.584
local terms energy: -129.269066
where:
bonds (distance) C4'-P energy: -27.321
bonds (distance) P-C4' energy: -30.594
flat angles C4'-P-C4' energy: -31.147
flat angles P-C4'-P energy: -16.926
tors. eta vs tors. theta energy: -23.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -289.522861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.522861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.522861 (E_RNA)
where:
Base-Base interactions energy: -173.015
where: short stacking energy: -79.637
Base-Backbone interact. energy: -1.646
local terms energy: -114.862172
where:
bonds (distance) C4'-P energy: -31.139
bonds (distance) P-C4' energy: -25.061
flat angles C4'-P-C4' energy: -31.938
flat angles P-C4'-P energy: -18.188
tors. eta vs tors. theta energy: -8.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -154.144923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.144923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.144923 (E_RNA)
where:
Base-Base interactions energy: -64.295
where: short stacking energy: -49.323
Base-Backbone interact. energy: -0.441
local terms energy: -89.408352
where:
bonds (distance) C4'-P energy: -22.060
bonds (distance) P-C4' energy: -28.130
flat angles C4'-P-C4' energy: -26.618
flat angles P-C4'-P energy: -13.096
tors. eta vs tors. theta energy: 0.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -532.776382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.776382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.776382 (E_RNA)
where:
Base-Base interactions energy: -361.028
where: short stacking energy: -149.576
Base-Backbone interact. energy: -1.095
local terms energy: -170.653010
where:
bonds (distance) C4'-P energy: -26.488
bonds (distance) P-C4' energy: -31.333
flat angles C4'-P-C4' energy: -32.999
flat angles P-C4'-P energy: -31.407
tors. eta vs tors. theta energy: -48.425
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: 6
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -534.480249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.480249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.480249 (E_RNA)
where:
Base-Base interactions energy: -372.694
where: short stacking energy: -172.513
Base-Backbone interact. energy: -0.020
local terms energy: -161.766399
where:
bonds (distance) C4'-P energy: -24.794
bonds (distance) P-C4' energy: -28.966
flat angles C4'-P-C4' energy: -36.397
flat angles P-C4'-P energy: -23.012
tors. eta vs tors. theta energy: -48.598
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: 3, replica: 4
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -517.908699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.908699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.908699 (E_RNA)
where:
Base-Base interactions energy: -353.626
where: short stacking energy: -154.824
Base-Backbone interact. energy: -0.259
local terms energy: -164.023186
where:
bonds (distance) C4'-P energy: -34.934
bonds (distance) P-C4' energy: -30.924
flat angles C4'-P-C4' energy: -33.376
flat angles P-C4'-P energy: -19.369
tors. eta vs tors. theta energy: -45.420
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: 10
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -478.788544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.788544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.788544 (E_RNA)
where:
Base-Base interactions energy: -328.383
where: short stacking energy: -152.264
Base-Backbone interact. energy: -0.494
local terms energy: -149.910927
where:
bonds (distance) C4'-P energy: -29.373
bonds (distance) P-C4' energy: -27.062
flat angles C4'-P-C4' energy: -34.477
flat angles P-C4'-P energy: -21.820
tors. eta vs tors. theta energy: -37.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -430.696254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.696254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.696254 (E_RNA)
where:
Base-Base interactions energy: -282.051
where: short stacking energy: -120.765
Base-Backbone interact. energy: -2.248
local terms energy: -146.397294
where:
bonds (distance) C4'-P energy: -26.622
bonds (distance) P-C4' energy: -35.020
flat angles C4'-P-C4' energy: -36.218
flat angles P-C4'-P energy: -22.281
tors. eta vs tors. theta energy: -26.256
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: 446
Temperature: 1.150000
Total energy: -414.839672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.839672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.839672 (E_RNA)
where:
Base-Base interactions energy: -274.830
where: short stacking energy: -130.486
Base-Backbone interact. energy: -1.163
local terms energy: -138.846658
where:
bonds (distance) C4'-P energy: -30.822
bonds (distance) P-C4' energy: -30.302
flat angles C4'-P-C4' energy: -29.016
flat angles P-C4'-P energy: -18.939
tors. eta vs tors. theta energy: -29.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -371.757777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.757777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.757777 (E_RNA)
where:
Base-Base interactions energy: -240.009
where: short stacking energy: -113.634
Base-Backbone interact. energy: 1.019
local terms energy: -132.768082
where:
bonds (distance) C4'-P energy: -26.270
bonds (distance) P-C4' energy: -34.305
flat angles C4'-P-C4' energy: -27.415
flat angles P-C4'-P energy: -18.053
tors. eta vs tors. theta energy: -26.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -324.716468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.716468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.716468 (E_RNA)
where:
Base-Base interactions energy: -201.111
where: short stacking energy: -101.850
Base-Backbone interact. energy: -0.968
local terms energy: -122.637360
where:
bonds (distance) C4'-P energy: -25.710
bonds (distance) P-C4' energy: -30.186
flat angles C4'-P-C4' energy: -25.680
flat angles P-C4'-P energy: -19.541
tors. eta vs tors. theta energy: -21.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -307.257236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.257236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.257236 (E_RNA)
where:
Base-Base interactions energy: -179.341
where: short stacking energy: -84.072
Base-Backbone interact. energy: -0.509
local terms energy: -127.406885
where:
bonds (distance) C4'-P energy: -22.105
bonds (distance) P-C4' energy: -31.832
flat angles C4'-P-C4' energy: -35.661
flat angles P-C4'-P energy: -22.441
tors. eta vs tors. theta energy: -15.368
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: 5
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -145.261654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.261654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.261654 (E_RNA)
where:
Base-Base interactions energy: -46.485
where: short stacking energy: -44.672
Base-Backbone interact. energy: -1.004
local terms energy: -97.772895
where:
bonds (distance) C4'-P energy: -27.436
bonds (distance) P-C4' energy: -24.937
flat angles C4'-P-C4' energy: -26.451
flat angles P-C4'-P energy: -15.754
tors. eta vs tors. theta energy: -3.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -527.834556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.834556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.834556 (E_RNA)
where:
Base-Base interactions energy: -368.398
where: short stacking energy: -167.174
Base-Backbone interact. energy: -1.342
local terms energy: -158.095025
where:
bonds (distance) C4'-P energy: -24.224
bonds (distance) P-C4' energy: -29.521
flat angles C4'-P-C4' energy: -33.194
flat angles P-C4'-P energy: -21.394
tors. eta vs tors. theta energy: -49.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -519.322212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.322212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.322212 (E_RNA)
where:
Base-Base interactions energy: -357.100
where: short stacking energy: -158.396
Base-Backbone interact. energy: -1.585
local terms energy: -160.637106
where:
bonds (distance) C4'-P energy: -26.692
bonds (distance) P-C4' energy: -26.344
flat angles C4'-P-C4' energy: -39.027
flat angles P-C4'-P energy: -22.865
tors. eta vs tors. theta energy: -45.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -530.897421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.897421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.897421 (E_RNA)
where:
Base-Base interactions energy: -363.373
where: short stacking energy: -168.904
Base-Backbone interact. energy: -0.606
local terms energy: -166.918494
where:
bonds (distance) C4'-P energy: -28.816
bonds (distance) P-C4' energy: -39.451
flat angles C4'-P-C4' energy: -34.038
flat angles P-C4'-P energy: -18.124
tors. eta vs tors. theta energy: -46.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -495.763130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.763130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.763130 (E_RNA)
where:
Base-Base interactions energy: -344.910
where: short stacking energy: -156.089
Base-Backbone interact. energy: -0.387
local terms energy: -150.465946
where:
bonds (distance) C4'-P energy: -21.036
bonds (distance) P-C4' energy: -25.986
flat angles C4'-P-C4' energy: -35.406
flat angles P-C4'-P energy: -25.245
tors. eta vs tors. theta energy: -42.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -442.727604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.727604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.727604 (E_RNA)
where:
Base-Base interactions energy: -284.118
where: short stacking energy: -119.552
Base-Backbone interact. energy: -0.518
local terms energy: -158.090914
where:
bonds (distance) C4'-P energy: -30.983
bonds (distance) P-C4' energy: -28.922
flat angles C4'-P-C4' energy: -34.901
flat angles P-C4'-P energy: -28.606
tors. eta vs tors. theta energy: -34.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -426.760123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.760123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.760123 (E_RNA)
where:
Base-Base interactions energy: -283.075
where: short stacking energy: -130.681
Base-Backbone interact. energy: 0.477
local terms energy: -144.161324
where:
bonds (distance) C4'-P energy: -29.236
bonds (distance) P-C4' energy: -26.957
flat angles C4'-P-C4' energy: -35.872
flat angles P-C4'-P energy: -19.296
tors. eta vs tors. theta energy: -32.800
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: 9
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -448.616388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.616388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.616388 (E_RNA)
where:
Base-Base interactions energy: -306.223
where: short stacking energy: -131.640
Base-Backbone interact. energy: -1.028
local terms energy: -141.365295
where:
bonds (distance) C4'-P energy: -33.388
bonds (distance) P-C4' energy: -26.292
flat angles C4'-P-C4' energy: -32.008
flat angles P-C4'-P energy: -18.461
tors. eta vs tors. theta energy: -31.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -308.202344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.202344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.202344 (E_RNA)
where:
Base-Base interactions energy: -189.686
where: short stacking energy: -96.262
Base-Backbone interact. energy: -0.588
local terms energy: -117.928484
where:
bonds (distance) C4'-P energy: -26.185
bonds (distance) P-C4' energy: -23.045
flat angles C4'-P-C4' energy: -24.778
flat angles P-C4'-P energy: -21.980
tors. eta vs tors. theta energy: -21.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -315.117914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.117914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.117914 (E_RNA)
where:
Base-Base interactions energy: -191.392
where: short stacking energy: -89.723
Base-Backbone interact. energy: -0.815
local terms energy: -122.910350
where:
bonds (distance) C4'-P energy: -21.728
bonds (distance) P-C4' energy: -36.903
flat angles C4'-P-C4' energy: -28.293
flat angles P-C4'-P energy: -16.013
tors. eta vs tors. theta energy: -19.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -142.895752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.895752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.895752 (E_RNA)
where:
Base-Base interactions energy: -40.587
where: short stacking energy: -39.476
Base-Backbone interact. energy: 1.118
local terms energy: -103.426449
where:
bonds (distance) C4'-P energy: -34.920
bonds (distance) P-C4' energy: -29.522
flat angles C4'-P-C4' energy: -27.651
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -2.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -541.391341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.391341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.391341 (E_RNA)
where:
Base-Base interactions energy: -369.005
where: short stacking energy: -163.788
Base-Backbone interact. energy: -0.094
local terms energy: -172.291619
where:
bonds (distance) C4'-P energy: -30.648
bonds (distance) P-C4' energy: -35.380
flat angles C4'-P-C4' energy: -36.004
flat angles P-C4'-P energy: -23.694
tors. eta vs tors. theta energy: -46.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -502.640285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.640285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.640285 (E_RNA)
where:
Base-Base interactions energy: -341.183
where: short stacking energy: -154.000
Base-Backbone interact. energy: -1.394
local terms energy: -160.063152
where:
bonds (distance) C4'-P energy: -23.568
bonds (distance) P-C4' energy: -35.345
flat angles C4'-P-C4' energy: -35.920
flat angles P-C4'-P energy: -24.258
tors. eta vs tors. theta energy: -40.973
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: 448
Temperature: 1.000000
Total energy: -510.870890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.870890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.870890 (E_RNA)
where:
Base-Base interactions energy: -349.838
where: short stacking energy: -153.897
Base-Backbone interact. energy: -0.343
local terms energy: -160.689912
where:
bonds (distance) C4'-P energy: -33.898
bonds (distance) P-C4' energy: -32.254
flat angles C4'-P-C4' energy: -34.230
flat angles P-C4'-P energy: -21.218
tors. eta vs tors. theta energy: -39.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -526.902438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.902438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.902438 (E_RNA)
where:
Base-Base interactions energy: -351.760
where: short stacking energy: -158.277
Base-Backbone interact. energy: -0.118
local terms energy: -175.024145
where:
bonds (distance) C4'-P energy: -37.137
bonds (distance) P-C4' energy: -25.132
flat angles C4'-P-C4' energy: -35.533
flat angles P-C4'-P energy: -29.902
tors. eta vs tors. theta energy: -47.321
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: 7
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -428.127816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.127816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.127816 (E_RNA)
where:
Base-Base interactions energy: -298.062
where: short stacking energy: -139.382
Base-Backbone interact. energy: 1.259
local terms energy: -131.324908
where:
bonds (distance) C4'-P energy: -22.384
bonds (distance) P-C4' energy: -28.353
flat angles C4'-P-C4' energy: -27.432
flat angles P-C4'-P energy: -16.154
tors. eta vs tors. theta energy: -37.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -403.191316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.191316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.191316 (E_RNA)
where:
Base-Base interactions energy: -253.532
where: short stacking energy: -111.079
Base-Backbone interact. energy: -0.901
local terms energy: -148.757446
where:
bonds (distance) C4'-P energy: -34.194
bonds (distance) P-C4' energy: -30.577
flat angles C4'-P-C4' energy: -25.841
flat angles P-C4'-P energy: -25.264
tors. eta vs tors. theta energy: -32.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -456.754547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.754547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.754547 (E_RNA)
where:
Base-Base interactions energy: -316.536
where: short stacking energy: -137.253
Base-Backbone interact. energy: -2.922
local terms energy: -137.297023
where:
bonds (distance) C4'-P energy: -24.887
bonds (distance) P-C4' energy: -26.309
flat angles C4'-P-C4' energy: -31.861
flat angles P-C4'-P energy: -20.922
tors. eta vs tors. theta energy: -33.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -304.355932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.355932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.355932 (E_RNA)
where:
Base-Base interactions energy: -180.850
where: short stacking energy: -73.011
Base-Backbone interact. energy: -1.047
local terms energy: -122.458768
where:
bonds (distance) C4'-P energy: -30.554
bonds (distance) P-C4' energy: -24.198
flat angles C4'-P-C4' energy: -33.958
flat angles P-C4'-P energy: -18.698
tors. eta vs tors. theta energy: -15.051
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: 3
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -320.154733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.154733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.154733 (E_RNA)
where:
Base-Base interactions energy: -198.690
where: short stacking energy: -96.737
Base-Backbone interact. energy: -0.885
local terms energy: -120.580054
where:
bonds (distance) C4'-P energy: -28.437
bonds (distance) P-C4' energy: -30.119
flat angles C4'-P-C4' energy: -23.897
flat angles P-C4'-P energy: -23.220
tors. eta vs tors. theta energy: -14.907
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: 5
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -142.788751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.788751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.788751 (E_RNA)
where:
Base-Base interactions energy: -49.963
where: short stacking energy: -48.328
Base-Backbone interact. energy: -0.432
local terms energy: -92.393696
where:
bonds (distance) C4'-P energy: -28.413
bonds (distance) P-C4' energy: -31.171
flat angles C4'-P-C4' energy: -25.043
flat angles P-C4'-P energy: -8.398
tors. eta vs tors. theta energy: 0.631
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: 4
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -534.156532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.156532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.156532 (E_RNA)
where:
Base-Base interactions energy: -367.551
where: short stacking energy: -166.976
Base-Backbone interact. energy: -0.652
local terms energy: -165.953177
where:
bonds (distance) C4'-P energy: -30.005
bonds (distance) P-C4' energy: -32.972
flat angles C4'-P-C4' energy: -34.801
flat angles P-C4'-P energy: -23.345
tors. eta vs tors. theta energy: -44.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -535.292860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.292860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.292860 (E_RNA)
where:
Base-Base interactions energy: -371.551
where: short stacking energy: -160.807
Base-Backbone interact. energy: -0.387
local terms energy: -163.355003
where:
bonds (distance) C4'-P energy: -29.423
bonds (distance) P-C4' energy: -33.992
flat angles C4'-P-C4' energy: -35.769
flat angles P-C4'-P energy: -20.902
tors. eta vs tors. theta energy: -43.269
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: 10
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -510.488666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.488666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.488666 (E_RNA)
where:
Base-Base interactions energy: -345.729
where: short stacking energy: -160.077
Base-Backbone interact. energy: -0.761
local terms energy: -163.999063
where:
bonds (distance) C4'-P energy: -37.199
bonds (distance) P-C4' energy: -33.145
flat angles C4'-P-C4' energy: -34.092
flat angles P-C4'-P energy: -15.899
tors. eta vs tors. theta energy: -43.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -527.176895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.176895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.176895 (E_RNA)
where:
Base-Base interactions energy: -366.448
where: short stacking energy: -160.496
Base-Backbone interact. energy: -0.091
local terms energy: -160.638239
where:
bonds (distance) C4'-P energy: -28.693
bonds (distance) P-C4' energy: -27.742
flat angles C4'-P-C4' energy: -32.165
flat angles P-C4'-P energy: -23.124
tors. eta vs tors. theta energy: -48.914
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: 7
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -428.557366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.557366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.557366 (E_RNA)
where:
Base-Base interactions energy: -273.580
where: short stacking energy: -124.846
Base-Backbone interact. energy: -1.243
local terms energy: -153.734777
where:
bonds (distance) C4'-P energy: -28.199
bonds (distance) P-C4' energy: -34.081
flat angles C4'-P-C4' energy: -37.724
flat angles P-C4'-P energy: -21.961
tors. eta vs tors. theta energy: -31.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -420.573387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.573387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.573387 (E_RNA)
where:
Base-Base interactions energy: -263.046
where: short stacking energy: -127.365
Base-Backbone interact. energy: -2.060
local terms energy: -155.467558
where:
bonds (distance) C4'-P energy: -29.741
bonds (distance) P-C4' energy: -36.362
flat angles C4'-P-C4' energy: -31.287
flat angles P-C4'-P energy: -22.006
tors. eta vs tors. theta energy: -36.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -440.926869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.926869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.926869 (E_RNA)
where:
Base-Base interactions energy: -299.799
where: short stacking energy: -124.297
Base-Backbone interact. energy: 0.435
local terms energy: -141.563284
where:
bonds (distance) C4'-P energy: -28.855
bonds (distance) P-C4' energy: -33.846
flat angles C4'-P-C4' energy: -26.674
flat angles P-C4'-P energy: -22.195
tors. eta vs tors. theta energy: -29.992
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: 3
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -322.996537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.996537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.996537 (E_RNA)
where:
Base-Base interactions energy: -204.412
where: short stacking energy: -94.705
Base-Backbone interact. energy: -0.719
local terms energy: -117.865146
where:
bonds (distance) C4'-P energy: -19.543
bonds (distance) P-C4' energy: -31.574
flat angles C4'-P-C4' energy: -30.320
flat angles P-C4'-P energy: -15.838
tors. eta vs tors. theta energy: -20.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -264.853279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.853279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.853279 (E_RNA)
where:
Base-Base interactions energy: -164.611
where: short stacking energy: -79.334
Base-Backbone interact. energy: 0.037
local terms energy: -100.279331
where:
bonds (distance) C4'-P energy: -24.258
bonds (distance) P-C4' energy: -31.631
flat angles C4'-P-C4' energy: -20.246
flat angles P-C4'-P energy: -18.659
tors. eta vs tors. theta energy: -5.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -146.187844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.187844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.187844 (E_RNA)
where:
Base-Base interactions energy: -59.712
where: short stacking energy: -51.431
Base-Backbone interact. energy: 2.667
local terms energy: -89.142490
where:
bonds (distance) C4'-P energy: -13.450
bonds (distance) P-C4' energy: -32.225
flat angles C4'-P-C4' energy: -25.890
flat angles P-C4'-P energy: -19.212
tors. eta vs tors. theta energy: 1.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -535.612705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.612705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.612705 (E_RNA)
where:
Base-Base interactions energy: -365.685
where: short stacking energy: -153.324
Base-Backbone interact. energy: -0.704
local terms energy: -169.223444
where:
bonds (distance) C4'-P energy: -26.228
bonds (distance) P-C4' energy: -34.768
flat angles C4'-P-C4' energy: -35.187
flat angles P-C4'-P energy: -26.616
tors. eta vs tors. theta energy: -46.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -512.851310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.851310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.851310 (E_RNA)
where:
Base-Base interactions energy: -345.938
where: short stacking energy: -160.003
Base-Backbone interact. energy: -1.964
local terms energy: -164.949454
where:
bonds (distance) C4'-P energy: -28.677
bonds (distance) P-C4' energy: -32.569
flat angles C4'-P-C4' energy: -37.883
flat angles P-C4'-P energy: -21.586
tors. eta vs tors. theta energy: -44.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -501.332603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.332603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.332603 (E_RNA)
where:
Base-Base interactions energy: -340.309
where: short stacking energy: -160.661
Base-Backbone interact. energy: -1.768
local terms energy: -159.255684
where:
bonds (distance) C4'-P energy: -30.278
bonds (distance) P-C4' energy: -23.672
flat angles C4'-P-C4' energy: -34.115
flat angles P-C4'-P energy: -26.881
tors. eta vs tors. theta energy: -44.311
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: 6
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -498.756518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.756518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.756518 (E_RNA)
where:
Base-Base interactions energy: -323.368
where: short stacking energy: -139.374
Base-Backbone interact. energy: -1.472
local terms energy: -173.916222
where:
bonds (distance) C4'-P energy: -31.804
bonds (distance) P-C4' energy: -37.324
flat angles C4'-P-C4' energy: -31.048
flat angles P-C4'-P energy: -27.244
tors. eta vs tors. theta energy: -46.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -428.468000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.468000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.468000 (E_RNA)
where:
Base-Base interactions energy: -278.117
where: short stacking energy: -130.836
Base-Backbone interact. energy: -1.518
local terms energy: -148.832423
where:
bonds (distance) C4'-P energy: -28.500
bonds (distance) P-C4' energy: -30.623
flat angles C4'-P-C4' energy: -27.540
flat angles P-C4'-P energy: -27.074
tors. eta vs tors. theta energy: -35.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -396.864120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.864120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.864120 (E_RNA)
where:
Base-Base interactions energy: -257.391
where: short stacking energy: -103.268
Base-Backbone interact. energy: -2.169
local terms energy: -137.304637
where:
bonds (distance) C4'-P energy: -22.547
bonds (distance) P-C4' energy: -25.617
flat angles C4'-P-C4' energy: -34.088
flat angles P-C4'-P energy: -26.725
tors. eta vs tors. theta energy: -28.328
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: 7, replica: 9
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -457.344795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.344795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.344795 (E_RNA)
where:
Base-Base interactions energy: -322.646
where: short stacking energy: -117.225
Base-Backbone interact. energy: -2.210
local terms energy: -132.488490
where:
bonds (distance) C4'-P energy: -21.066
bonds (distance) P-C4' energy: -29.386
flat angles C4'-P-C4' energy: -28.689
flat angles P-C4'-P energy: -22.171
tors. eta vs tors. theta energy: -31.176
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: 3
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -349.998464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.998464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.998464 (E_RNA)
where:
Base-Base interactions energy: -240.475
where: short stacking energy: -98.463
Base-Backbone interact. energy: -1.478
local terms energy: -108.045914
where:
bonds (distance) C4'-P energy: -24.583
bonds (distance) P-C4' energy: -24.165
flat angles C4'-P-C4' energy: -22.230
flat angles P-C4'-P energy: -14.291
tors. eta vs tors. theta energy: -22.777
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: 8
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -215.580688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.580688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.580688 (E_RNA)
where:
Base-Base interactions energy: -120.273
where: short stacking energy: -52.626
Base-Backbone interact. energy: -1.056
local terms energy: -94.251513
where:
bonds (distance) C4'-P energy: -29.955
bonds (distance) P-C4' energy: -29.884
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -9.365
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: 5
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -150.642039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.642039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.642039 (E_RNA)
where:
Base-Base interactions energy: -58.366
where: short stacking energy: -56.381
Base-Backbone interact. energy: -1.276
local terms energy: -90.999735
where:
bonds (distance) C4'-P energy: -21.743
bonds (distance) P-C4' energy: -30.615
flat angles C4'-P-C4' energy: -17.404
flat angles P-C4'-P energy: -17.938
tors. eta vs tors. theta energy: -3.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -528.548528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.548528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.548528 (E_RNA)
where:
Base-Base interactions energy: -351.391
where: short stacking energy: -165.470
Base-Backbone interact. energy: -0.145
local terms energy: -177.012487
where:
bonds (distance) C4'-P energy: -31.320
bonds (distance) P-C4' energy: -32.872
flat angles C4'-P-C4' energy: -38.947
flat angles P-C4'-P energy: -24.235
tors. eta vs tors. theta energy: -49.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -523.088745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.088745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.088745 (E_RNA)
where:
Base-Base interactions energy: -347.836
where: short stacking energy: -158.113
Base-Backbone interact. energy: -2.299
local terms energy: -172.953759
where:
bonds (distance) C4'-P energy: -31.962
bonds (distance) P-C4' energy: -31.795
flat angles C4'-P-C4' energy: -41.183
flat angles P-C4'-P energy: -26.392
tors. eta vs tors. theta energy: -41.622
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: 4
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -518.487208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.487208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.487208 (E_RNA)
where:
Base-Base interactions energy: -353.444
where: short stacking energy: -149.153
Base-Backbone interact. energy: -0.711
local terms energy: -164.331883
where:
bonds (distance) C4'-P energy: -26.194
bonds (distance) P-C4' energy: -35.561
flat angles C4'-P-C4' energy: -34.831
flat angles P-C4'-P energy: -27.408
tors. eta vs tors. theta energy: -40.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -508.461236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.461236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.461236 (E_RNA)
where:
Base-Base interactions energy: -349.878
where: short stacking energy: -153.768
Base-Backbone interact. energy: -0.043
local terms energy: -158.539979
where:
bonds (distance) C4'-P energy: -23.527
bonds (distance) P-C4' energy: -32.414
flat angles C4'-P-C4' energy: -36.867
flat angles P-C4'-P energy: -17.356
tors. eta vs tors. theta energy: -48.377
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: 451
Temperature: 1.100000
Total energy: -423.013888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.013888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.013888 (E_RNA)
where:
Base-Base interactions energy: -276.259
where: short stacking energy: -121.366
Base-Backbone interact. energy: 0.463
local terms energy: -147.218210
where:
bonds (distance) C4'-P energy: -27.800
bonds (distance) P-C4' energy: -28.706
flat angles C4'-P-C4' energy: -34.088
flat angles P-C4'-P energy: -22.401
tors. eta vs tors. theta energy: -34.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -455.772795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.772795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.772795 (E_RNA)
where:
Base-Base interactions energy: -328.275
where: short stacking energy: -129.191
Base-Backbone interact. energy: -2.375
local terms energy: -125.122724
where:
bonds (distance) C4'-P energy: -24.691
bonds (distance) P-C4' energy: -23.062
flat angles C4'-P-C4' energy: -32.349
flat angles P-C4'-P energy: -15.091
tors. eta vs tors. theta energy: -29.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -411.349913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.349913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.349913 (E_RNA)
where:
Base-Base interactions energy: -272.151
where: short stacking energy: -123.329
Base-Backbone interact. energy: -0.974
local terms energy: -138.225093
where:
bonds (distance) C4'-P energy: -28.515
bonds (distance) P-C4' energy: -29.061
flat angles C4'-P-C4' energy: -32.457
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -37.316
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: 3
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -359.427035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.427035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.427035 (E_RNA)
where:
Base-Base interactions energy: -221.238
where: short stacking energy: -103.194
Base-Backbone interact. energy: -0.129
local terms energy: -138.059749
where:
bonds (distance) C4'-P energy: -26.791
bonds (distance) P-C4' energy: -35.962
flat angles C4'-P-C4' energy: -34.084
flat angles P-C4'-P energy: -19.518
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: 9, replica: 8
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -296.449176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.449176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.449176 (E_RNA)
where:
Base-Base interactions energy: -170.950
where: short stacking energy: -95.964
Base-Backbone interact. energy: -0.099
local terms energy: -125.400618
where:
bonds (distance) C4'-P energy: -30.559
bonds (distance) P-C4' energy: -25.249
flat angles C4'-P-C4' energy: -28.795
flat angles P-C4'-P energy: -22.195
tors. eta vs tors. theta energy: -18.603
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: 5
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -160.504697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.504697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.504697 (E_RNA)
where:
Base-Base interactions energy: -55.885
where: short stacking energy: -50.987
Base-Backbone interact. energy: -1.074
local terms energy: -103.545602
where:
bonds (distance) C4'-P energy: -23.502
bonds (distance) P-C4' energy: -33.779
flat angles C4'-P-C4' energy: -28.757
flat angles P-C4'-P energy: -17.507
tors. eta vs tors. theta energy: 0.000
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: 1, replica: 2
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -538.052901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.052901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.052901 (E_RNA)
where:
Base-Base interactions energy: -363.354
where: short stacking energy: -177.005
Base-Backbone interact. energy: -1.200
local terms energy: -173.499156
where:
bonds (distance) C4'-P energy: -29.066
bonds (distance) P-C4' energy: -32.039
flat angles C4'-P-C4' energy: -35.270
flat angles P-C4'-P energy: -26.009
tors. eta vs tors. theta energy: -51.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -513.906160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.906160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.906160 (E_RNA)
where:
Base-Base interactions energy: -347.855
where: short stacking energy: -149.358
Base-Backbone interact. energy: -2.527
local terms energy: -163.524310
where:
bonds (distance) C4'-P energy: -34.283
bonds (distance) P-C4' energy: -30.509
flat angles C4'-P-C4' energy: -34.857
flat angles P-C4'-P energy: -22.130
tors. eta vs tors. theta energy: -41.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -526.669476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.669476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.669476 (E_RNA)
where:
Base-Base interactions energy: -355.670
where: short stacking energy: -168.043
Base-Backbone interact. energy: -0.389
local terms energy: -170.610559
where:
bonds (distance) C4'-P energy: -26.918
bonds (distance) P-C4' energy: -26.124
flat angles C4'-P-C4' energy: -36.320
flat angles P-C4'-P energy: -28.731
tors. eta vs tors. theta energy: -52.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -518.576735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.576735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.576735 (E_RNA)
where:
Base-Base interactions energy: -355.534
where: short stacking energy: -167.302
Base-Backbone interact. energy: -0.215
local terms energy: -162.827009
where:
bonds (distance) C4'-P energy: -32.954
bonds (distance) P-C4' energy: -27.621
flat angles C4'-P-C4' energy: -32.575
flat angles P-C4'-P energy: -27.911
tors. eta vs tors. theta energy: -41.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -462.881240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.881240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.881240 (E_RNA)
where:
Base-Base interactions energy: -327.399
where: short stacking energy: -133.696
Base-Backbone interact. energy: -2.475
local terms energy: -133.007485
where:
bonds (distance) C4'-P energy: -30.560
bonds (distance) P-C4' energy: -23.226
flat angles C4'-P-C4' energy: -32.249
flat angles P-C4'-P energy: -18.512
tors. eta vs tors. theta energy: -28.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -411.534922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.534922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.534922 (E_RNA)
where:
Base-Base interactions energy: -272.569
where: short stacking energy: -121.304
Base-Backbone interact. energy: -0.257
local terms energy: -138.708720
where:
bonds (distance) C4'-P energy: -29.017
bonds (distance) P-C4' energy: -29.673
flat angles C4'-P-C4' energy: -26.645
flat angles P-C4'-P energy: -20.829
tors. eta vs tors. theta energy: -32.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -364.712565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.712565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.712565 (E_RNA)
where:
Base-Base interactions energy: -233.407
where: short stacking energy: -107.753
Base-Backbone interact. energy: -0.905
local terms energy: -130.400349
where:
bonds (distance) C4'-P energy: -28.262
bonds (distance) P-C4' energy: -29.269
flat angles C4'-P-C4' energy: -33.050
flat angles P-C4'-P energy: -17.268
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: 8, replica: 1
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -365.834271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.834271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.834271 (E_RNA)
where:
Base-Base interactions energy: -244.649
where: short stacking energy: -101.158
Base-Backbone interact. energy: -0.388
local terms energy: -120.797571
where:
bonds (distance) C4'-P energy: -25.214
bonds (distance) P-C4' energy: -27.467
flat angles C4'-P-C4' energy: -29.298
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -28.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -294.686548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.686548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.686548 (E_RNA)
where:
Base-Base interactions energy: -176.303
where: short stacking energy: -80.558
Base-Backbone interact. energy: -0.201
local terms energy: -118.182314
where:
bonds (distance) C4'-P energy: -29.001
bonds (distance) P-C4' energy: -31.193
flat angles C4'-P-C4' energy: -24.171
flat angles P-C4'-P energy: -19.510
tors. eta vs tors. theta energy: -14.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -142.054165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.054165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.054165 (E_RNA)
where:
Base-Base interactions energy: -51.215
where: short stacking energy: -40.799
Base-Backbone interact. energy: 0.672
local terms energy: -91.511777
where:
bonds (distance) C4'-P energy: -28.032
bonds (distance) P-C4' energy: -32.216
flat angles C4'-P-C4' energy: -22.543
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: 2.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -540.175361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.175361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.175361 (E_RNA)
where:
Base-Base interactions energy: -367.044
where: short stacking energy: -167.385
Base-Backbone interact. energy: -0.447
local terms energy: -172.683591
where:
bonds (distance) C4'-P energy: -30.856
bonds (distance) P-C4' energy: -26.053
flat angles C4'-P-C4' energy: -35.999
flat angles P-C4'-P energy: -25.981
tors. eta vs tors. theta energy: -53.795
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: 2, replica: 10
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -536.660217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.660217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.660217 (E_RNA)
where:
Base-Base interactions energy: -356.283
where: short stacking energy: -161.020
Base-Backbone interact. energy: -2.345
local terms energy: -178.032788
where:
bonds (distance) C4'-P energy: -33.360
bonds (distance) P-C4' energy: -34.891
flat angles C4'-P-C4' energy: -36.288
flat angles P-C4'-P energy: -25.089
tors. eta vs tors. theta energy: -48.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -520.214526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.214526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.214526 (E_RNA)
where:
Base-Base interactions energy: -362.499
where: short stacking energy: -160.210
Base-Backbone interact. energy: 0.510
local terms energy: -158.225526
where:
bonds (distance) C4'-P energy: -30.478
bonds (distance) P-C4' energy: -31.764
flat angles C4'-P-C4' energy: -37.196
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -47.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -471.459575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.459575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.459575 (E_RNA)
where:
Base-Base interactions energy: -332.182
where: short stacking energy: -135.337
Base-Backbone interact. energy: -1.741
local terms energy: -137.535664
where:
bonds (distance) C4'-P energy: -25.979
bonds (distance) P-C4' energy: -23.943
flat angles C4'-P-C4' energy: -30.187
flat angles P-C4'-P energy: -26.364
tors. eta vs tors. theta energy: -31.063
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: 4
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -476.594489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.594489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.594489 (E_RNA)
where:
Base-Base interactions energy: -321.989
where: short stacking energy: -143.856
Base-Backbone interact. energy: -0.489
local terms energy: -154.117021
where:
bonds (distance) C4'-P energy: -29.609
bonds (distance) P-C4' energy: -26.084
flat angles C4'-P-C4' energy: -33.470
flat angles P-C4'-P energy: -25.265
tors. eta vs tors. theta energy: -39.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -429.344170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.344170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.344170 (E_RNA)
where:
Base-Base interactions energy: -274.991
where: short stacking energy: -136.451
Base-Backbone interact. energy: -4.902
local terms energy: -149.451370
where:
bonds (distance) C4'-P energy: -31.085
bonds (distance) P-C4' energy: -28.848
flat angles C4'-P-C4' energy: -22.455
flat angles P-C4'-P energy: -21.902
tors. eta vs tors. theta energy: -45.162
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: 453
Temperature: 1.200000
Total energy: -366.964562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.964562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.964562 (E_RNA)
where:
Base-Base interactions energy: -244.959
where: short stacking energy: -99.320
Base-Backbone interact. energy: -1.914
local terms energy: -120.092079
where:
bonds (distance) C4'-P energy: -28.131
bonds (distance) P-C4' energy: -26.508
flat angles C4'-P-C4' energy: -27.349
flat angles P-C4'-P energy: -19.091
tors. eta vs tors. theta energy: -19.013
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: 8
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -317.821795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.821795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.821795 (E_RNA)
where:
Base-Base interactions energy: -218.824
where: short stacking energy: -92.818
Base-Backbone interact. energy: -0.416
local terms energy: -98.582163
where:
bonds (distance) C4'-P energy: -24.609
bonds (distance) P-C4' energy: -27.451
flat angles C4'-P-C4' energy: -23.657
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -13.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -312.477263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.477263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.477263 (E_RNA)
where:
Base-Base interactions energy: -214.656
where: short stacking energy: -91.303
Base-Backbone interact. energy: -0.534
local terms energy: -97.286776
where:
bonds (distance) C4'-P energy: -23.436
bonds (distance) P-C4' energy: -19.784
flat angles C4'-P-C4' energy: -24.641
flat angles P-C4'-P energy: -14.152
tors. eta vs tors. theta energy: -15.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -153.114082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.114082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.114082 (E_RNA)
where:
Base-Base interactions energy: -58.927
where: short stacking energy: -41.986
Base-Backbone interact. energy: -0.426
local terms energy: -93.761797
where:
bonds (distance) C4'-P energy: -28.619
bonds (distance) P-C4' energy: -24.029
flat angles C4'-P-C4' energy: -26.929
flat angles P-C4'-P energy: -11.159
tors. eta vs tors. theta energy: -3.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -535.503584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.503584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.503584 (E_RNA)
where:
Base-Base interactions energy: -356.709
where: short stacking energy: -165.791
Base-Backbone interact. energy: -0.754
local terms energy: -178.040048
where:
bonds (distance) C4'-P energy: -35.148
bonds (distance) P-C4' energy: -33.565
flat angles C4'-P-C4' energy: -39.802
flat angles P-C4'-P energy: -17.974
tors. eta vs tors. theta energy: -51.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -528.291334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.291334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.291334 (E_RNA)
where:
Base-Base interactions energy: -364.185
where: short stacking energy: -168.226
Base-Backbone interact. energy: -0.612
local terms energy: -163.494068
where:
bonds (distance) C4'-P energy: -31.406
bonds (distance) P-C4' energy: -29.849
flat angles C4'-P-C4' energy: -35.146
flat angles P-C4'-P energy: -21.931
tors. eta vs tors. theta energy: -45.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -510.812197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.812197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.812197 (E_RNA)
where:
Base-Base interactions energy: -353.901
where: short stacking energy: -165.416
Base-Backbone interact. energy: -0.039
local terms energy: -156.872361
where:
bonds (distance) C4'-P energy: -32.204
bonds (distance) P-C4' energy: -27.974
flat angles C4'-P-C4' energy: -31.811
flat angles P-C4'-P energy: -21.059
tors. eta vs tors. theta energy: -43.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -473.057878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.057878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.057878 (E_RNA)
where:
Base-Base interactions energy: -331.128
where: short stacking energy: -145.957
Base-Backbone interact. energy: -1.713
local terms energy: -140.216562
where:
bonds (distance) C4'-P energy: -18.892
bonds (distance) P-C4' energy: -33.384
flat angles C4'-P-C4' energy: -31.350
flat angles P-C4'-P energy: -23.656
tors. eta vs tors. theta energy: -32.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -497.003848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.003848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.003848 (E_RNA)
where:
Base-Base interactions energy: -343.532
where: short stacking energy: -150.647
Base-Backbone interact. energy: -0.640
local terms energy: -152.831410
where:
bonds (distance) C4'-P energy: -31.474
bonds (distance) P-C4' energy: -18.712
flat angles C4'-P-C4' energy: -33.105
flat angles P-C4'-P energy: -23.154
tors. eta vs tors. theta energy: -46.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -423.716796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.716796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.716796 (E_RNA)
where:
Base-Base interactions energy: -280.366
where: short stacking energy: -127.252
Base-Backbone interact. energy: -0.838
local terms energy: -142.513150
where:
bonds (distance) C4'-P energy: -37.168
bonds (distance) P-C4' energy: -32.874
flat angles C4'-P-C4' energy: -27.121
flat angles P-C4'-P energy: -13.058
tors. eta vs tors. theta energy: -32.292
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: 7, replica: 3
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -404.437108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.437108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.437108 (E_RNA)
where:
Base-Base interactions energy: -261.800
where: short stacking energy: -103.639
Base-Backbone interact. energy: -1.505
local terms energy: -141.133001
where:
bonds (distance) C4'-P energy: -30.738
bonds (distance) P-C4' energy: -35.532
flat angles C4'-P-C4' energy: -26.194
flat angles P-C4'-P energy: -18.700
tors. eta vs tors. theta energy: -29.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -309.725838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.725838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.725838 (E_RNA)
where:
Base-Base interactions energy: -208.503
where: short stacking energy: -100.018
Base-Backbone interact. energy: -0.988
local terms energy: -100.234457
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -30.783
flat angles P-C4'-P energy: -20.440
tors. eta vs tors. theta energy: -17.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -303.007970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.007970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.007970 (E_RNA)
where:
Base-Base interactions energy: -177.482
where: short stacking energy: -94.692
Base-Backbone interact. energy: 0.440
local terms energy: -125.965834
where:
bonds (distance) C4'-P energy: -31.164
bonds (distance) P-C4' energy: -26.530
flat angles C4'-P-C4' energy: -27.937
flat angles P-C4'-P energy: -23.203
tors. eta vs tors. theta energy: -17.131
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: 5
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -154.707815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.707815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.707815 (E_RNA)
where:
Base-Base interactions energy: -48.500
where: short stacking energy: -45.117
Base-Backbone interact. energy: -0.777
local terms energy: -105.430668
where:
bonds (distance) C4'-P energy: -32.570
bonds (distance) P-C4' energy: -29.675
flat angles C4'-P-C4' energy: -25.505
flat angles P-C4'-P energy: -13.680
tors. eta vs tors. theta energy: -4.000
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: 1, replica: 2
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -534.515961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.515961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.515961 (E_RNA)
where:
Base-Base interactions energy: -364.390
where: short stacking energy: -167.594
Base-Backbone interact. energy: -0.851
local terms energy: -169.274831
where:
bonds (distance) C4'-P energy: -33.172
bonds (distance) P-C4' energy: -33.349
flat angles C4'-P-C4' energy: -32.228
flat angles P-C4'-P energy: -20.871
tors. eta vs tors. theta energy: -49.654
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: 10
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -527.771299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.771299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.771299 (E_RNA)
where:
Base-Base interactions energy: -359.149
where: short stacking energy: -150.187
Base-Backbone interact. energy: -1.062
local terms energy: -167.561100
where:
bonds (distance) C4'-P energy: -33.856
bonds (distance) P-C4' energy: -30.474
flat angles C4'-P-C4' energy: -37.232
flat angles P-C4'-P energy: -20.567
tors. eta vs tors. theta energy: -45.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -520.826186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.826186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.826186 (E_RNA)
where:
Base-Base interactions energy: -342.668
where: short stacking energy: -161.106
Base-Backbone interact. energy: -0.277
local terms energy: -177.880553
where:
bonds (distance) C4'-P energy: -32.688
bonds (distance) P-C4' energy: -33.555
flat angles C4'-P-C4' energy: -35.497
flat angles P-C4'-P energy: -25.967
tors. eta vs tors. theta energy: -50.173
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: 4
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -493.635332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.635332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.635332 (E_RNA)
where:
Base-Base interactions energy: -343.240
where: short stacking energy: -149.246
Base-Backbone interact. energy: -0.386
local terms energy: -150.009300
where:
bonds (distance) C4'-P energy: -30.739
bonds (distance) P-C4' energy: -32.622
flat angles C4'-P-C4' energy: -30.792
flat angles P-C4'-P energy: -18.351
tors. eta vs tors. theta energy: -37.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -455.382587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.382587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.382587 (E_RNA)
where:
Base-Base interactions energy: -292.709
where: short stacking energy: -119.926
Base-Backbone interact. energy: -2.373
local terms energy: -160.301075
where:
bonds (distance) C4'-P energy: -34.405
bonds (distance) P-C4' energy: -32.463
flat angles C4'-P-C4' energy: -35.639
flat angles P-C4'-P energy: -26.304
tors. eta vs tors. theta energy: -31.490
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: 7
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -409.440389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.440389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.440389 (E_RNA)
where:
Base-Base interactions energy: -276.701
where: short stacking energy: -133.290
Base-Backbone interact. energy: -0.900
local terms energy: -131.838592
where:
bonds (distance) C4'-P energy: -32.796
bonds (distance) P-C4' energy: -23.975
flat angles C4'-P-C4' energy: -29.595
flat angles P-C4'-P energy: -15.021
tors. eta vs tors. theta energy: -30.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -398.063022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.063022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.063022 (E_RNA)
where:
Base-Base interactions energy: -264.377
where: short stacking energy: -106.520
Base-Backbone interact. energy: -0.082
local terms energy: -133.603891
where:
bonds (distance) C4'-P energy: -28.203
bonds (distance) P-C4' energy: -31.476
flat angles C4'-P-C4' energy: -33.358
flat angles P-C4'-P energy: -13.852
tors. eta vs tors. theta energy: -26.714
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: 8, replica: 8
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -308.288815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.288815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.288815 (E_RNA)
where:
Base-Base interactions energy: -197.169
where: short stacking energy: -97.633
Base-Backbone interact. energy: -0.798
local terms energy: -110.322730
where:
bonds (distance) C4'-P energy: -23.663
bonds (distance) P-C4' energy: -22.891
flat angles C4'-P-C4' energy: -28.937
flat angles P-C4'-P energy: -14.207
tors. eta vs tors. theta energy: -20.625
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: 1
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -293.217821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.217821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.217821 (E_RNA)
where:
Base-Base interactions energy: -179.794
where: short stacking energy: -75.990
Base-Backbone interact. energy: -1.385
local terms energy: -112.039020
where:
bonds (distance) C4'-P energy: -30.527
bonds (distance) P-C4' energy: -28.562
flat angles C4'-P-C4' energy: -22.320
flat angles P-C4'-P energy: -11.931
tors. eta vs tors. theta energy: -18.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -147.440359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.440359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.440359 (E_RNA)
where:
Base-Base interactions energy: -44.658
where: short stacking energy: -32.579
Base-Backbone interact. energy: -1.433
local terms energy: -101.349196
where:
bonds (distance) C4'-P energy: -27.145
bonds (distance) P-C4' energy: -30.367
flat angles C4'-P-C4' energy: -29.102
flat angles P-C4'-P energy: -22.066
tors. eta vs tors. theta energy: 7.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -543.934070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.934070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.934070 (E_RNA)
where:
Base-Base interactions energy: -373.228
where: short stacking energy: -143.731
Base-Backbone interact. energy: 0.899
local terms energy: -171.604972
where:
bonds (distance) C4'-P energy: -29.734
bonds (distance) P-C4' energy: -29.927
flat angles C4'-P-C4' energy: -38.829
flat angles P-C4'-P energy: -27.494
tors. eta vs tors. theta energy: -45.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -504.034196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.034196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.034196 (E_RNA)
where:
Base-Base interactions energy: -340.325
where: short stacking energy: -156.935
Base-Backbone interact. energy: 0.409
local terms energy: -164.118130
where:
bonds (distance) C4'-P energy: -32.296
bonds (distance) P-C4' energy: -29.886
flat angles C4'-P-C4' energy: -36.648
flat angles P-C4'-P energy: -28.134
tors. eta vs tors. theta energy: -37.153
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: 456
Temperature: 1.000000
Total energy: -533.141645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.141645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.141645 (E_RNA)
where:
Base-Base interactions energy: -369.015
where: short stacking energy: -163.319
Base-Backbone interact. energy: -0.040
local terms energy: -164.086450
where:
bonds (distance) C4'-P energy: -20.673
bonds (distance) P-C4' energy: -35.533
flat angles C4'-P-C4' energy: -33.467
flat angles P-C4'-P energy: -25.251
tors. eta vs tors. theta energy: -49.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -491.484027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.484027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.484027 (E_RNA)
where:
Base-Base interactions energy: -328.535
where: short stacking energy: -139.308
Base-Backbone interact. energy: -0.352
local terms energy: -162.596892
where:
bonds (distance) C4'-P energy: -26.465
bonds (distance) P-C4' energy: -31.688
flat angles C4'-P-C4' energy: -36.970
flat angles P-C4'-P energy: -22.516
tors. eta vs tors. theta energy: -44.958
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: 9
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -455.844544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.844544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.844544 (E_RNA)
where:
Base-Base interactions energy: -310.496
where: short stacking energy: -139.772
Base-Backbone interact. energy: -1.096
local terms energy: -144.252171
where:
bonds (distance) C4'-P energy: -29.427
bonds (distance) P-C4' energy: -29.720
flat angles C4'-P-C4' energy: -30.157
flat angles P-C4'-P energy: -14.647
tors. eta vs tors. theta energy: -40.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -383.810761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.810761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.810761 (E_RNA)
where:
Base-Base interactions energy: -250.613
where: short stacking energy: -117.027
Base-Backbone interact. energy: -0.304
local terms energy: -132.893791
where:
bonds (distance) C4'-P energy: -29.238
bonds (distance) P-C4' energy: -30.284
flat angles C4'-P-C4' energy: -26.970
flat angles P-C4'-P energy: -20.008
tors. eta vs tors. theta energy: -26.394
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: 7, replica: 3
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -377.987482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.987482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.987482 (E_RNA)
where:
Base-Base interactions energy: -243.968
where: short stacking energy: -106.660
Base-Backbone interact. energy: -0.434
local terms energy: -133.585191
where:
bonds (distance) C4'-P energy: -25.858
bonds (distance) P-C4' energy: -28.141
flat angles C4'-P-C4' energy: -31.192
flat angles P-C4'-P energy: -21.865
tors. eta vs tors. theta energy: -26.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -307.118363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.118363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.118363 (E_RNA)
where:
Base-Base interactions energy: -186.824
where: short stacking energy: -91.571
Base-Backbone interact. energy: 3.083
local terms energy: -123.377380
where:
bonds (distance) C4'-P energy: -23.348
bonds (distance) P-C4' energy: -34.567
flat angles C4'-P-C4' energy: -26.216
flat angles P-C4'-P energy: -21.881
tors. eta vs tors. theta energy: -17.366
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: 1
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -329.993770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.993770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.993770 (E_RNA)
where:
Base-Base interactions energy: -186.434
where: short stacking energy: -100.723
Base-Backbone interact. energy: -0.091
local terms energy: -143.468833
where:
bonds (distance) C4'-P energy: -23.409
bonds (distance) P-C4' energy: -33.553
flat angles C4'-P-C4' energy: -31.932
flat angles P-C4'-P energy: -20.137
tors. eta vs tors. theta energy: -34.438
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: 5
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -169.281914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.281914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.281914 (E_RNA)
where:
Base-Base interactions energy: -72.706
where: short stacking energy: -58.187
Base-Backbone interact. energy: -0.406
local terms energy: -96.170122
where:
bonds (distance) C4'-P energy: -25.419
bonds (distance) P-C4' energy: -20.913
flat angles C4'-P-C4' energy: -28.649
flat angles P-C4'-P energy: -17.105
tors. eta vs tors. theta energy: -4.084
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: 1, replica: 2
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -529.313359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.313359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.313359 (E_RNA)
where:
Base-Base interactions energy: -357.472
where: short stacking energy: -144.999
Base-Backbone interact. energy: -0.490
local terms energy: -171.351440
where:
bonds (distance) C4'-P energy: -32.716
bonds (distance) P-C4' energy: -36.695
flat angles C4'-P-C4' energy: -30.925
flat angles P-C4'-P energy: -24.709
tors. eta vs tors. theta energy: -46.308
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: 6
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -543.578929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.578929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.578929 (E_RNA)
where:
Base-Base interactions energy: -367.344
where: short stacking energy: -162.206
Base-Backbone interact. energy: -0.039
local terms energy: -176.196255
where:
bonds (distance) C4'-P energy: -31.377
bonds (distance) P-C4' energy: -34.266
flat angles C4'-P-C4' energy: -32.485
flat angles P-C4'-P energy: -31.266
tors. eta vs tors. theta energy: -46.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -487.200611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.200611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.200611 (E_RNA)
where:
Base-Base interactions energy: -329.972
where: short stacking energy: -147.895
Base-Backbone interact. energy: -0.801
local terms energy: -156.428087
where:
bonds (distance) C4'-P energy: -33.895
bonds (distance) P-C4' energy: -30.735
flat angles C4'-P-C4' energy: -29.207
flat angles P-C4'-P energy: -17.073
tors. eta vs tors. theta energy: -45.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -494.421296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.421296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.421296 (E_RNA)
where:
Base-Base interactions energy: -339.469
where: short stacking energy: -151.530
Base-Backbone interact. energy: -0.788
local terms energy: -154.165162
where:
bonds (distance) C4'-P energy: -24.504
bonds (distance) P-C4' energy: -31.557
flat angles C4'-P-C4' energy: -35.083
flat angles P-C4'-P energy: -19.692
tors. eta vs tors. theta energy: -43.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -469.237022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.237022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.237022 (E_RNA)
where:
Base-Base interactions energy: -313.379
where: short stacking energy: -131.237
Base-Backbone interact. energy: -1.283
local terms energy: -154.574888
where:
bonds (distance) C4'-P energy: -36.821
bonds (distance) P-C4' energy: -34.133
flat angles C4'-P-C4' energy: -29.699
flat angles P-C4'-P energy: -15.951
tors. eta vs tors. theta energy: -37.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -388.444289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.444289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.444289 (E_RNA)
where:
Base-Base interactions energy: -254.701
where: short stacking energy: -115.361
Base-Backbone interact. energy: -0.522
local terms energy: -133.221834
where:
bonds (distance) C4'-P energy: -28.533
bonds (distance) P-C4' energy: -28.917
flat angles C4'-P-C4' energy: -28.552
flat angles P-C4'-P energy: -22.811
tors. eta vs tors. theta energy: -24.408
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: 3
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -352.549868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.549868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.549868 (E_RNA)
where:
Base-Base interactions energy: -225.139
where: short stacking energy: -108.231
Base-Backbone interact. energy: -0.473
local terms energy: -126.938160
where:
bonds (distance) C4'-P energy: -28.034
bonds (distance) P-C4' energy: -29.295
flat angles C4'-P-C4' energy: -25.730
flat angles P-C4'-P energy: -19.604
tors. eta vs tors. theta energy: -24.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -305.215299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.215299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.215299 (E_RNA)
where:
Base-Base interactions energy: -183.955
where: short stacking energy: -92.015
Base-Backbone interact. energy: -0.182
local terms energy: -121.078618
where:
bonds (distance) C4'-P energy: -27.059
bonds (distance) P-C4' energy: -33.442
flat angles C4'-P-C4' energy: -24.064
flat angles P-C4'-P energy: -26.562
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: 9, replica: 8
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -242.410537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.410537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.410537 (E_RNA)
where:
Base-Base interactions energy: -128.591
where: short stacking energy: -80.434
Base-Backbone interact. energy: -0.219
local terms energy: -113.600408
where:
bonds (distance) C4'-P energy: -25.420
bonds (distance) P-C4' energy: -22.479
flat angles C4'-P-C4' energy: -30.629
flat angles P-C4'-P energy: -15.945
tors. eta vs tors. theta energy: -19.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -163.665641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.665641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.665641 (E_RNA)
where:
Base-Base interactions energy: -72.616
where: short stacking energy: -63.053
Base-Backbone interact. energy: 1.581
local terms energy: -92.630351
where:
bonds (distance) C4'-P energy: -25.320
bonds (distance) P-C4' energy: -25.482
flat angles C4'-P-C4' energy: -23.976
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -8.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -543.113787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.113787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.113787 (E_RNA)
where:
Base-Base interactions energy: -362.303
where: short stacking energy: -155.126
Base-Backbone interact. energy: -1.717
local terms energy: -179.094144
where:
bonds (distance) C4'-P energy: -30.186
bonds (distance) P-C4' energy: -37.143
flat angles C4'-P-C4' energy: -37.250
flat angles P-C4'-P energy: -25.490
tors. eta vs tors. theta energy: -49.024
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: 2
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -511.845145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.845145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.845145 (E_RNA)
where:
Base-Base interactions energy: -345.263
where: short stacking energy: -142.250
Base-Backbone interact. energy: -0.506
local terms energy: -166.075563
where:
bonds (distance) C4'-P energy: -32.682
bonds (distance) P-C4' energy: -31.145
flat angles C4'-P-C4' energy: -35.127
flat angles P-C4'-P energy: -23.841
tors. eta vs tors. theta energy: -43.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -499.121427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.121427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.121427 (E_RNA)
where:
Base-Base interactions energy: -336.411
where: short stacking energy: -137.603
Base-Backbone interact. energy: -0.624
local terms energy: -162.087306
where:
bonds (distance) C4'-P energy: -34.036
bonds (distance) P-C4' energy: -31.676
flat angles C4'-P-C4' energy: -31.991
flat angles P-C4'-P energy: -20.705
tors. eta vs tors. theta energy: -43.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -473.663394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.663394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.663394 (E_RNA)
where:
Base-Base interactions energy: -329.859
where: short stacking energy: -135.546
Base-Backbone interact. energy: -0.192
local terms energy: -143.612718
where:
bonds (distance) C4'-P energy: -33.957
bonds (distance) P-C4' energy: -22.704
flat angles C4'-P-C4' energy: -30.180
flat angles P-C4'-P energy: -19.674
tors. eta vs tors. theta energy: -37.098
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: 5, replica: 9
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -466.922157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.922157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.922157 (E_RNA)
where:
Base-Base interactions energy: -320.973
where: short stacking energy: -129.817
Base-Backbone interact. energy: -1.811
local terms energy: -144.137787
where:
bonds (distance) C4'-P energy: -30.313
bonds (distance) P-C4' energy: -28.935
flat angles C4'-P-C4' energy: -28.806
flat angles P-C4'-P energy: -23.312
tors. eta vs tors. theta energy: -32.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -399.939658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.939658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.939658 (E_RNA)
where:
Base-Base interactions energy: -258.471
where: short stacking energy: -124.987
Base-Backbone interact. energy: -1.216
local terms energy: -140.253221
where:
bonds (distance) C4'-P energy: -27.405
bonds (distance) P-C4' energy: -27.080
flat angles C4'-P-C4' energy: -33.741
flat angles P-C4'-P energy: -20.655
tors. eta vs tors. theta energy: -31.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -381.115285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.115285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.115285 (E_RNA)
where:
Base-Base interactions energy: -254.384
where: short stacking energy: -126.818
Base-Backbone interact. energy: -0.306
local terms energy: -126.425093
where:
bonds (distance) C4'-P energy: -26.202
bonds (distance) P-C4' energy: -30.675
flat angles C4'-P-C4' energy: -29.658
flat angles P-C4'-P energy: -15.486
tors. eta vs tors. theta energy: -24.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -320.139804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.139804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.139804 (E_RNA)
where:
Base-Base interactions energy: -208.889
where: short stacking energy: -91.401
Base-Backbone interact. energy: 0.172
local terms energy: -111.422645
where:
bonds (distance) C4'-P energy: -18.715
bonds (distance) P-C4' energy: -25.787
flat angles C4'-P-C4' energy: -29.805
flat angles P-C4'-P energy: -20.013
tors. eta vs tors. theta energy: -17.103
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: 5
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -160.334780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.334780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.334780 (E_RNA)
where:
Base-Base interactions energy: -50.830
where: short stacking energy: -41.893
Base-Backbone interact. energy: -0.888
local terms energy: -108.616374
where:
bonds (distance) C4'-P energy: -35.325
bonds (distance) P-C4' energy: -26.001
flat angles C4'-P-C4' energy: -22.207
flat angles P-C4'-P energy: -18.519
tors. eta vs tors. theta energy: -6.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -226.951013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.951013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.951013 (E_RNA)
where:
Base-Base interactions energy: -130.063
where: short stacking energy: -78.608
Base-Backbone interact. energy: -0.230
local terms energy: -96.658355
where:
bonds (distance) C4'-P energy: -24.906
bonds (distance) P-C4' energy: -25.284
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -18.839
tors. eta vs tors. theta energy: -12.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -549.561825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.561825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.561825 (E_RNA)
where:
Base-Base interactions energy: -369.765
where: short stacking energy: -176.538
Base-Backbone interact. energy: -0.025
local terms energy: -179.771707
where:
bonds (distance) C4'-P energy: -33.796
bonds (distance) P-C4' energy: -32.271
flat angles C4'-P-C4' energy: -33.905
flat angles P-C4'-P energy: -27.066
tors. eta vs tors. theta energy: -52.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -525.332937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.332937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.332937 (E_RNA)
where:
Base-Base interactions energy: -363.890
where: short stacking energy: -163.540
Base-Backbone interact. energy: -0.580
local terms energy: -160.862816
where:
bonds (distance) C4'-P energy: -29.953
bonds (distance) P-C4' energy: -28.620
flat angles C4'-P-C4' energy: -32.516
flat angles P-C4'-P energy: -23.442
tors. eta vs tors. theta energy: -46.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -500.838016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.838016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.838016 (E_RNA)
where:
Base-Base interactions energy: -341.018
where: short stacking energy: -158.979
Base-Backbone interact. energy: -0.251
local terms energy: -159.568824
where:
bonds (distance) C4'-P energy: -25.640
bonds (distance) P-C4' energy: -34.482
flat angles C4'-P-C4' energy: -31.670
flat angles P-C4'-P energy: -20.088
tors. eta vs tors. theta energy: -47.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -485.217227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.217227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.217227 (E_RNA)
where:
Base-Base interactions energy: -331.057
where: short stacking energy: -154.715
Base-Backbone interact. energy: -0.169
local terms energy: -153.991226
where:
bonds (distance) C4'-P energy: -33.185
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -33.356
flat angles P-C4'-P energy: -30.259
tors. eta vs tors. theta energy: -42.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -449.543852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.543852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.543852 (E_RNA)
where:
Base-Base interactions energy: -324.659
where: short stacking energy: -140.023
Base-Backbone interact. energy: 0.434
local terms energy: -125.318944
where:
bonds (distance) C4'-P energy: -25.849
bonds (distance) P-C4' energy: -18.327
flat angles C4'-P-C4' energy: -28.374
flat angles P-C4'-P energy: -21.825
tors. eta vs tors. theta energy: -30.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -407.125190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.125190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.125190 (E_RNA)
where:
Base-Base interactions energy: -259.740
where: short stacking energy: -127.143
Base-Backbone interact. energy: -0.628
local terms energy: -146.757235
where:
bonds (distance) C4'-P energy: -28.404
bonds (distance) P-C4' energy: -32.077
flat angles C4'-P-C4' energy: -31.887
flat angles P-C4'-P energy: -18.897
tors. eta vs tors. theta energy: -35.492
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: 7
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -360.997515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.997515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.997515 (E_RNA)
where:
Base-Base interactions energy: -226.868
where: short stacking energy: -95.637
Base-Backbone interact. energy: -0.669
local terms energy: -133.460230
where:
bonds (distance) C4'-P energy: -27.966
bonds (distance) P-C4' energy: -31.715
flat angles C4'-P-C4' energy: -31.278
flat angles P-C4'-P energy: -21.953
tors. eta vs tors. theta energy: -20.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -329.812762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.812762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.812762 (E_RNA)
where:
Base-Base interactions energy: -205.643
where: short stacking energy: -102.376
Base-Backbone interact. energy: -0.218
local terms energy: -123.951450
where:
bonds (distance) C4'-P energy: -23.819
bonds (distance) P-C4' energy: -19.451
flat angles C4'-P-C4' energy: -33.148
flat angles P-C4'-P energy: -21.452
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: 9, replica: 5
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -171.647551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.647551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.647551 (E_RNA)
where:
Base-Base interactions energy: -66.591
where: short stacking energy: -42.981
Base-Backbone interact. energy: -0.808
local terms energy: -104.248142
where:
bonds (distance) C4'-P energy: -28.046
bonds (distance) P-C4' energy: -31.725
flat angles C4'-P-C4' energy: -28.573
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -5.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -246.826675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.826675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.826675 (E_RNA)
where:
Base-Base interactions energy: -147.795
where: short stacking energy: -75.617
Base-Backbone interact. energy: 5.558
local terms energy: -104.589782
where:
bonds (distance) C4'-P energy: -18.202
bonds (distance) P-C4' energy: -31.239
flat angles C4'-P-C4' energy: -23.183
flat angles P-C4'-P energy: -23.587
tors. eta vs tors. theta energy: -8.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -535.150354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.150354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.150354 (E_RNA)
where:
Base-Base interactions energy: -365.398
where: short stacking energy: -164.256
Base-Backbone interact. energy: -0.157
local terms energy: -169.595321
where:
bonds (distance) C4'-P energy: -27.648
bonds (distance) P-C4' energy: -36.118
flat angles C4'-P-C4' energy: -32.146
flat angles P-C4'-P energy: -23.742
tors. eta vs tors. theta energy: -49.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -547.586338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.586338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.586338 (E_RNA)
where:
Base-Base interactions energy: -378.716
where: short stacking energy: -154.521
Base-Backbone interact. energy: 0.727
local terms energy: -169.598064
where:
bonds (distance) C4'-P energy: -29.447
bonds (distance) P-C4' energy: -34.098
flat angles C4'-P-C4' energy: -36.342
flat angles P-C4'-P energy: -23.471
tors. eta vs tors. theta energy: -46.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -510.119163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.119163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.119163 (E_RNA)
where:
Base-Base interactions energy: -335.912
where: short stacking energy: -152.998
Base-Backbone interact. energy: -0.004
local terms energy: -174.203910
where:
bonds (distance) C4'-P energy: -33.327
bonds (distance) P-C4' energy: -33.612
flat angles C4'-P-C4' energy: -35.026
flat angles P-C4'-P energy: -26.890
tors. eta vs tors. theta energy: -45.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -496.763881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.763881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.763881 (E_RNA)
where:
Base-Base interactions energy: -330.627
where: short stacking energy: -162.999
Base-Backbone interact. energy: -2.172
local terms energy: -163.965549
where:
bonds (distance) C4'-P energy: -28.004
bonds (distance) P-C4' energy: -35.281
flat angles C4'-P-C4' energy: -31.810
flat angles P-C4'-P energy: -22.561
tors. eta vs tors. theta energy: -46.310
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: 9
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -434.311307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.311307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.311307 (E_RNA)
where:
Base-Base interactions energy: -293.105
where: short stacking energy: -115.999
Base-Backbone interact. energy: -0.816
local terms energy: -140.390180
where:
bonds (distance) C4'-P energy: -32.367
bonds (distance) P-C4' energy: -28.838
flat angles C4'-P-C4' energy: -32.138
flat angles P-C4'-P energy: -17.302
tors. eta vs tors. theta energy: -29.745
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: 460
Temperature: 1.150000
Total energy: -410.182918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.182918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.182918 (E_RNA)
where:
Base-Base interactions energy: -266.164
where: short stacking energy: -135.303
Base-Backbone interact. energy: 0.410
local terms energy: -144.429345
where:
bonds (distance) C4'-P energy: -23.082
bonds (distance) P-C4' energy: -31.061
flat angles C4'-P-C4' energy: -35.738
flat angles P-C4'-P energy: -18.945
tors. eta vs tors. theta energy: -35.603
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: 7
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -364.184084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.184084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.184084 (E_RNA)
where:
Base-Base interactions energy: -236.542
where: short stacking energy: -115.960
Base-Backbone interact. energy: 2.015
local terms energy: -129.657126
where:
bonds (distance) C4'-P energy: -23.916
bonds (distance) P-C4' energy: -26.771
flat angles C4'-P-C4' energy: -28.463
flat angles P-C4'-P energy: -23.158
tors. eta vs tors. theta energy: -27.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -317.677186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.677186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.677186 (E_RNA)
where:
Base-Base interactions energy: -182.691
where: short stacking energy: -87.020
Base-Backbone interact. energy: -0.826
local terms energy: -134.160305
where:
bonds (distance) C4'-P energy: -30.881
bonds (distance) P-C4' energy: -37.525
flat angles C4'-P-C4' energy: -29.315
flat angles P-C4'-P energy: -18.107
tors. eta vs tors. theta energy: -18.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -203.588429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.588429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.588429 (E_RNA)
where:
Base-Base interactions energy: -106.670
where: short stacking energy: -59.985
Base-Backbone interact. energy: -0.106
local terms energy: -96.812873
where:
bonds (distance) C4'-P energy: -31.249
bonds (distance) P-C4' energy: -28.538
flat angles C4'-P-C4' energy: -21.726
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -3.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -153.152059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.152059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.152059 (E_RNA)
where:
Base-Base interactions energy: -61.482
where: short stacking energy: -59.238
Base-Backbone interact. energy: 3.481
local terms energy: -95.151434
where:
bonds (distance) C4'-P energy: -25.543
bonds (distance) P-C4' energy: -27.099
flat angles C4'-P-C4' energy: -17.789
flat angles P-C4'-P energy: -16.082
tors. eta vs tors. theta energy: -8.638
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: 1, replica: 6
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -551.512689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.512689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.512689 (E_RNA)
where:
Base-Base interactions energy: -379.740
where: short stacking energy: -164.887
Base-Backbone interact. energy: 1.644
local terms energy: -173.416890
where:
bonds (distance) C4'-P energy: -29.522
bonds (distance) P-C4' energy: -32.326
flat angles C4'-P-C4' energy: -32.768
flat angles P-C4'-P energy: -27.961
tors. eta vs tors. theta energy: -50.840
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: 2
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -536.944384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.944384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.944384 (E_RNA)
where:
Base-Base interactions energy: -364.143
where: short stacking energy: -174.347
Base-Backbone interact. energy: -1.482
local terms energy: -171.319027
where:
bonds (distance) C4'-P energy: -28.525
bonds (distance) P-C4' energy: -31.987
flat angles C4'-P-C4' energy: -35.429
flat angles P-C4'-P energy: -25.385
tors. eta vs tors. theta energy: -49.993
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: 4
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -506.469987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.469987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.469987 (E_RNA)
where:
Base-Base interactions energy: -349.319
where: short stacking energy: -143.050
Base-Backbone interact. energy: -1.225
local terms energy: -155.926069
where:
bonds (distance) C4'-P energy: -26.516
bonds (distance) P-C4' energy: -28.294
flat angles C4'-P-C4' energy: -34.184
flat angles P-C4'-P energy: -25.802
tors. eta vs tors. theta energy: -41.130
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: 4, replica: 10
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -484.878778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.878778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.878778 (E_RNA)
where:
Base-Base interactions energy: -322.601
where: short stacking energy: -154.351
Base-Backbone interact. energy: -0.077
local terms energy: -162.200944
where:
bonds (distance) C4'-P energy: -25.468
bonds (distance) P-C4' energy: -32.711
flat angles C4'-P-C4' energy: -33.573
flat angles P-C4'-P energy: -26.135
tors. eta vs tors. theta energy: -44.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -457.165947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.165947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.165947 (E_RNA)
where:
Base-Base interactions energy: -318.203
where: short stacking energy: -122.973
Base-Backbone interact. energy: 0.506
local terms energy: -139.468573
where:
bonds (distance) C4'-P energy: -30.396
bonds (distance) P-C4' energy: -36.061
flat angles C4'-P-C4' energy: -32.500
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -29.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -414.612754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.612754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.612754 (E_RNA)
where:
Base-Base interactions energy: -268.832
where: short stacking energy: -123.140
Base-Backbone interact. energy: -0.606
local terms energy: -145.174489
where:
bonds (distance) C4'-P energy: -29.172
bonds (distance) P-C4' energy: -31.645
flat angles C4'-P-C4' energy: -33.712
flat angles P-C4'-P energy: -20.647
tors. eta vs tors. theta energy: -29.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -367.577815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.577815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.577815 (E_RNA)
where:
Base-Base interactions energy: -236.420
where: short stacking energy: -99.372
Base-Backbone interact. energy: -3.053
local terms energy: -128.104899
where:
bonds (distance) C4'-P energy: -27.875
bonds (distance) P-C4' energy: -27.369
flat angles C4'-P-C4' energy: -21.975
flat angles P-C4'-P energy: -25.556
tors. eta vs tors. theta energy: -25.330
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: 1
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -315.089876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.089876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.089876 (E_RNA)
where:
Base-Base interactions energy: -200.785
where: short stacking energy: -108.466
Base-Backbone interact. energy: 1.048
local terms energy: -115.353214
where:
bonds (distance) C4'-P energy: -30.086
bonds (distance) P-C4' energy: -20.570
flat angles C4'-P-C4' energy: -27.260
flat angles P-C4'-P energy: -18.374
tors. eta vs tors. theta energy: -19.063
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: 8
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -164.122519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.122519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.122519 (E_RNA)
where:
Base-Base interactions energy: -70.212
where: short stacking energy: -50.566
Base-Backbone interact. energy: -0.477
local terms energy: -93.433590
where:
bonds (distance) C4'-P energy: -23.668
bonds (distance) P-C4' energy: -31.940
flat angles C4'-P-C4' energy: -26.730
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: -2.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -148.289431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.289431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.289431 (E_RNA)
where:
Base-Base interactions energy: -60.139
where: short stacking energy: -49.361
Base-Backbone interact. energy: -0.266
local terms energy: -87.884193
where:
bonds (distance) C4'-P energy: -22.166
bonds (distance) P-C4' energy: -31.306
flat angles C4'-P-C4' energy: -26.436
flat angles P-C4'-P energy: -7.543
tors. eta vs tors. theta energy: -0.432
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: 6
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -543.707145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.707145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.707145 (E_RNA)
where:
Base-Base interactions energy: -368.975
where: short stacking energy: -171.669
Base-Backbone interact. energy: -0.336
local terms energy: -174.395882
where:
bonds (distance) C4'-P energy: -32.452
bonds (distance) P-C4' energy: -34.072
flat angles C4'-P-C4' energy: -37.706
flat angles P-C4'-P energy: -22.704
tors. eta vs tors. theta energy: -47.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -537.667203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.667203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.667203 (E_RNA)
where:
Base-Base interactions energy: -355.460
where: short stacking energy: -155.427
Base-Backbone interact. energy: -0.102
local terms energy: -182.104943
where:
bonds (distance) C4'-P energy: -37.852
bonds (distance) P-C4' energy: -31.395
flat angles C4'-P-C4' energy: -33.098
flat angles P-C4'-P energy: -26.614
tors. eta vs tors. theta energy: -53.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -489.971530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.971530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.971530 (E_RNA)
where:
Base-Base interactions energy: -336.679
where: short stacking energy: -150.754
Base-Backbone interact. energy: -2.240
local terms energy: -151.051718
where:
bonds (distance) C4'-P energy: -26.907
bonds (distance) P-C4' energy: -24.261
flat angles C4'-P-C4' energy: -35.860
flat angles P-C4'-P energy: -21.550
tors. eta vs tors. theta energy: -42.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -495.696244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.696244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.696244 (E_RNA)
where:
Base-Base interactions energy: -330.691
where: short stacking energy: -144.139
Base-Backbone interact. energy: -0.843
local terms energy: -164.162733
where:
bonds (distance) C4'-P energy: -34.237
bonds (distance) P-C4' energy: -25.143
flat angles C4'-P-C4' energy: -35.009
flat angles P-C4'-P energy: -27.266
tors. eta vs tors. theta energy: -42.507
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: 462
Temperature: 1.100000
Total energy: -407.572919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.572919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.572919 (E_RNA)
where:
Base-Base interactions energy: -271.943
where: short stacking energy: -122.770
Base-Backbone interact. energy: -0.986
local terms energy: -134.643763
where:
bonds (distance) C4'-P energy: -28.280
bonds (distance) P-C4' energy: -25.341
flat angles C4'-P-C4' energy: -28.332
flat angles P-C4'-P energy: -21.735
tors. eta vs tors. theta energy: -30.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -436.410327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.410327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.410327 (E_RNA)
where:
Base-Base interactions energy: -302.621
where: short stacking energy: -116.450
Base-Backbone interact. energy: -1.437
local terms energy: -132.352256
where:
bonds (distance) C4'-P energy: -25.344
bonds (distance) P-C4' energy: -36.482
flat angles C4'-P-C4' energy: -26.436
flat angles P-C4'-P energy: -17.843
tors. eta vs tors. theta energy: -26.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -354.122826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.122826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.122826 (E_RNA)
where:
Base-Base interactions energy: -226.613
where: short stacking energy: -101.083
Base-Backbone interact. energy: -1.129
local terms energy: -126.381416
where:
bonds (distance) C4'-P energy: -33.094
bonds (distance) P-C4' energy: -28.939
flat angles C4'-P-C4' energy: -24.768
flat angles P-C4'-P energy: -15.392
tors. eta vs tors. theta energy: -24.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -324.312268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.312268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.312268 (E_RNA)
where:
Base-Base interactions energy: -200.606
where: short stacking energy: -81.213
Base-Backbone interact. energy: -1.198
local terms energy: -122.508116
where:
bonds (distance) C4'-P energy: -24.311
bonds (distance) P-C4' energy: -28.372
flat angles C4'-P-C4' energy: -31.806
flat angles P-C4'-P energy: -18.613
tors. eta vs tors. theta energy: -19.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -154.585449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.585449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.585449 (E_RNA)
where:
Base-Base interactions energy: -65.814
where: short stacking energy: -60.706
Base-Backbone interact. energy: -0.501
local terms energy: -88.270703
where:
bonds (distance) C4'-P energy: -28.344
bonds (distance) P-C4' energy: -25.224
flat angles C4'-P-C4' energy: -24.066
flat angles P-C4'-P energy: -14.728
tors. eta vs tors. theta energy: 4.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -153.436616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.436616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.436616 (E_RNA)
where:
Base-Base interactions energy: -72.333
where: short stacking energy: -44.793
Base-Backbone interact. energy: -0.291
local terms energy: -80.812291
where:
bonds (distance) C4'-P energy: -21.877
bonds (distance) P-C4' energy: -24.592
flat angles C4'-P-C4' energy: -23.369
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: 0.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -536.437445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.437445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.437445 (E_RNA)
where:
Base-Base interactions energy: -360.407
where: short stacking energy: -167.913
Base-Backbone interact. energy: -0.112
local terms energy: -175.918399
where:
bonds (distance) C4'-P energy: -27.654
bonds (distance) P-C4' energy: -32.240
flat angles C4'-P-C4' energy: -37.498
flat angles P-C4'-P energy: -28.892
tors. eta vs tors. theta energy: -49.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -509.256559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.256559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.256559 (E_RNA)
where:
Base-Base interactions energy: -358.866
where: short stacking energy: -161.318
Base-Backbone interact. energy: 0.474
local terms energy: -150.863984
where:
bonds (distance) C4'-P energy: -21.822
bonds (distance) P-C4' energy: -29.772
flat angles C4'-P-C4' energy: -30.373
flat angles P-C4'-P energy: -25.827
tors. eta vs tors. theta energy: -43.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -512.504428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.504428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.504428 (E_RNA)
where:
Base-Base interactions energy: -345.362
where: short stacking energy: -158.288
Base-Backbone interact. energy: -0.927
local terms energy: -166.215529
where:
bonds (distance) C4'-P energy: -28.666
bonds (distance) P-C4' energy: -28.682
flat angles C4'-P-C4' energy: -32.273
flat angles P-C4'-P energy: -27.509
tors. eta vs tors. theta energy: -49.086
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: 4
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -503.653968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.653968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.653968 (E_RNA)
where:
Base-Base interactions energy: -341.093
where: short stacking energy: -161.113
Base-Backbone interact. energy: -1.973
local terms energy: -160.587523
where:
bonds (distance) C4'-P energy: -23.610
bonds (distance) P-C4' energy: -25.511
flat angles C4'-P-C4' energy: -37.201
flat angles P-C4'-P energy: -22.471
tors. eta vs tors. theta energy: -51.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -421.890571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.890571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.890571 (E_RNA)
where:
Base-Base interactions energy: -269.153
where: short stacking energy: -127.597
Base-Backbone interact. energy: -0.459
local terms energy: -152.278256
where:
bonds (distance) C4'-P energy: -27.382
bonds (distance) P-C4' energy: -30.826
flat angles C4'-P-C4' energy: -36.149
flat angles P-C4'-P energy: -23.639
tors. eta vs tors. theta energy: -34.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -425.939191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.939191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.939191 (E_RNA)
where:
Base-Base interactions energy: -290.364
where: short stacking energy: -123.624
Base-Backbone interact. energy: -2.218
local terms energy: -133.357562
where:
bonds (distance) C4'-P energy: -24.017
bonds (distance) P-C4' energy: -32.767
flat angles C4'-P-C4' energy: -24.830
flat angles P-C4'-P energy: -14.263
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: 7, replica: 7
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -338.606514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.606514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.606514 (E_RNA)
where:
Base-Base interactions energy: -208.007
where: short stacking energy: -110.160
Base-Backbone interact. energy: -1.326
local terms energy: -129.273883
where:
bonds (distance) C4'-P energy: -21.586
bonds (distance) P-C4' energy: -37.055
flat angles C4'-P-C4' energy: -27.685
flat angles P-C4'-P energy: -21.647
tors. eta vs tors. theta energy: -21.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -322.360451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.360451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.360451 (E_RNA)
where:
Base-Base interactions energy: -194.698
where: short stacking energy: -87.121
Base-Backbone interact. energy: 0.941
local terms energy: -128.603631
where:
bonds (distance) C4'-P energy: -29.381
bonds (distance) P-C4' energy: -25.629
flat angles C4'-P-C4' energy: -35.273
flat angles P-C4'-P energy: -19.411
tors. eta vs tors. theta energy: -18.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -155.756906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.756906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.756906 (E_RNA)
where:
Base-Base interactions energy: -59.000
where: short stacking energy: -43.314
Base-Backbone interact. energy: -0.510
local terms energy: -96.247549
where:
bonds (distance) C4'-P energy: -26.589
bonds (distance) P-C4' energy: -36.657
flat angles C4'-P-C4' energy: -23.050
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: 0.514
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: 8
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -149.004531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.004531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.004531 (E_RNA)
where:
Base-Base interactions energy: -56.603
where: short stacking energy: -55.587
Base-Backbone interact. energy: -0.126
local terms energy: -92.274953
where:
bonds (distance) C4'-P energy: -29.336
bonds (distance) P-C4' energy: -29.285
flat angles C4'-P-C4' energy: -25.654
flat angles P-C4'-P energy: -6.224
tors. eta vs tors. theta energy: -1.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -536.140666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.140666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.140666 (E_RNA)
where:
Base-Base interactions energy: -366.905
where: short stacking energy: -167.622
Base-Backbone interact. energy: 0.218
local terms energy: -169.453437
where:
bonds (distance) C4'-P energy: -34.477
bonds (distance) P-C4' energy: -28.782
flat angles C4'-P-C4' energy: -35.051
flat angles P-C4'-P energy: -28.060
tors. eta vs tors. theta energy: -43.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -508.802216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.802216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.802216 (E_RNA)
where:
Base-Base interactions energy: -348.826
where: short stacking energy: -152.304
Base-Backbone interact. energy: 0.131
local terms energy: -160.107107
where:
bonds (distance) C4'-P energy: -30.582
bonds (distance) P-C4' energy: -32.047
flat angles C4'-P-C4' energy: -32.673
flat angles P-C4'-P energy: -28.530
tors. eta vs tors. theta energy: -36.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -513.027210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.027210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.027210 (E_RNA)
where:
Base-Base interactions energy: -350.207
where: short stacking energy: -150.509
Base-Backbone interact. energy: -0.080
local terms energy: -162.739928
where:
bonds (distance) C4'-P energy: -26.513
bonds (distance) P-C4' energy: -32.887
flat angles C4'-P-C4' energy: -32.555
flat angles P-C4'-P energy: -20.557
tors. eta vs tors. theta energy: -50.229
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: 2
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -503.801644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.801644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.801644 (E_RNA)
where:
Base-Base interactions energy: -346.548
where: short stacking energy: -150.341
Base-Backbone interact. energy: 0.306
local terms energy: -157.559357
where:
bonds (distance) C4'-P energy: -30.947
bonds (distance) P-C4' energy: -23.346
flat angles C4'-P-C4' energy: -33.720
flat angles P-C4'-P energy: -24.172
tors. eta vs tors. theta energy: -45.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -411.786898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.786898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.786898 (E_RNA)
where:
Base-Base interactions energy: -280.165
where: short stacking energy: -114.934
Base-Backbone interact. energy: -0.427
local terms energy: -131.194964
where:
bonds (distance) C4'-P energy: -27.345
bonds (distance) P-C4' energy: -34.397
flat angles C4'-P-C4' energy: -25.913
flat angles P-C4'-P energy: -19.631
tors. eta vs tors. theta energy: -23.909
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: 6, replica: 3
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -403.947335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.947335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.947335 (E_RNA)
where:
Base-Base interactions energy: -268.787
where: short stacking energy: -114.204
Base-Backbone interact. energy: -0.552
local terms energy: -134.608617
where:
bonds (distance) C4'-P energy: -29.596
bonds (distance) P-C4' energy: -29.307
flat angles C4'-P-C4' energy: -30.345
flat angles P-C4'-P energy: -19.762
tors. eta vs tors. theta energy: -25.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -328.950678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.950678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.950678 (E_RNA)
where:
Base-Base interactions energy: -202.529
where: short stacking energy: -88.142
Base-Backbone interact. energy: -2.052
local terms energy: -124.369887
where:
bonds (distance) C4'-P energy: -26.494
bonds (distance) P-C4' energy: -29.384
flat angles C4'-P-C4' energy: -25.261
flat angles P-C4'-P energy: -15.632
tors. eta vs tors. theta energy: -27.598
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: 8, replica: 7
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -336.444868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.444868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.444868 (E_RNA)
where:
Base-Base interactions energy: -224.478
where: short stacking energy: -90.129
Base-Backbone interact. energy: -0.605
local terms energy: -111.362518
where:
bonds (distance) C4'-P energy: -27.575
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -28.579
flat angles P-C4'-P energy: -20.684
tors. eta vs tors. theta energy: -19.477
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: 8
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -181.160219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.160219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.160219 (E_RNA)
where:
Base-Base interactions energy: -85.992
where: short stacking energy: -62.837
Base-Backbone interact. energy: 2.044
local terms energy: -97.212146
where:
bonds (distance) C4'-P energy: -24.794
bonds (distance) P-C4' energy: -27.550
flat angles C4'-P-C4' energy: -19.737
flat angles P-C4'-P energy: -18.721
tors. eta vs tors. theta energy: -6.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -206.996318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.996318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.996318 (E_RNA)
where:
Base-Base interactions energy: -110.198
where: short stacking energy: -69.682
Base-Backbone interact. energy: -0.712
local terms energy: -96.086576
where:
bonds (distance) C4'-P energy: -24.328
bonds (distance) P-C4' energy: -30.364
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -15.058
tors. eta vs tors. theta energy: -11.332
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: 6
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -549.429394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.429394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.429394 (E_RNA)
where:
Base-Base interactions energy: -375.392
where: short stacking energy: -161.778
Base-Backbone interact. energy: -0.582
local terms energy: -173.455158
where:
bonds (distance) C4'-P energy: -31.081
bonds (distance) P-C4' energy: -32.890
flat angles C4'-P-C4' energy: -37.235
flat angles P-C4'-P energy: -22.638
tors. eta vs tors. theta energy: -49.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -528.299081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.299081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.299081 (E_RNA)
where:
Base-Base interactions energy: -357.520
where: short stacking energy: -152.597
Base-Backbone interact. energy: -1.352
local terms energy: -169.427194
where:
bonds (distance) C4'-P energy: -34.085
bonds (distance) P-C4' energy: -31.003
flat angles C4'-P-C4' energy: -33.028
flat angles P-C4'-P energy: -22.989
tors. eta vs tors. theta energy: -48.322
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: 465
Temperature: 1.000000
Total energy: -505.581372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.581372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.581372 (E_RNA)
where:
Base-Base interactions energy: -342.369
where: short stacking energy: -154.330
Base-Backbone interact. energy: -2.159
local terms energy: -161.053569
where:
bonds (distance) C4'-P energy: -28.306
bonds (distance) P-C4' energy: -31.124
flat angles C4'-P-C4' energy: -35.061
flat angles P-C4'-P energy: -23.221
tors. eta vs tors. theta energy: -43.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -506.152588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.152588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.152588 (E_RNA)
where:
Base-Base interactions energy: -341.183
where: short stacking energy: -153.288
Base-Backbone interact. energy: -1.082
local terms energy: -163.888205
where:
bonds (distance) C4'-P energy: -30.959
bonds (distance) P-C4' energy: -29.175
flat angles C4'-P-C4' energy: -33.602
flat angles P-C4'-P energy: -24.395
tors. eta vs tors. theta energy: -45.758
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: 9
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -436.881267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.881267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.881267 (E_RNA)
where:
Base-Base interactions energy: -302.685
where: short stacking energy: -139.719
Base-Backbone interact. energy: -0.810
local terms energy: -133.386365
where:
bonds (distance) C4'-P energy: -21.001
bonds (distance) P-C4' energy: -31.297
flat angles C4'-P-C4' energy: -30.788
flat angles P-C4'-P energy: -17.059
tors. eta vs tors. theta energy: -33.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -350.149165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.149165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.149165 (E_RNA)
where:
Base-Base interactions energy: -222.817
where: short stacking energy: -110.981
Base-Backbone interact. energy: -0.313
local terms energy: -127.018274
where:
bonds (distance) C4'-P energy: -30.954
bonds (distance) P-C4' energy: -24.178
flat angles C4'-P-C4' energy: -33.095
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -28.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -399.284326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.284326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.284326 (E_RNA)
where:
Base-Base interactions energy: -279.083
where: short stacking energy: -120.476
Base-Backbone interact. energy: -1.579
local terms energy: -118.622830
where:
bonds (distance) C4'-P energy: -18.683
bonds (distance) P-C4' energy: -21.467
flat angles C4'-P-C4' energy: -28.394
flat angles P-C4'-P energy: -18.220
tors. eta vs tors. theta energy: -31.859
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: 7
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -323.944891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.944891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.944891 (E_RNA)
where:
Base-Base interactions energy: -205.581
where: short stacking energy: -101.928
Base-Backbone interact. energy: -1.151
local terms energy: -117.213832
where:
bonds (distance) C4'-P energy: -14.709
bonds (distance) P-C4' energy: -33.507
flat angles C4'-P-C4' energy: -25.871
flat angles P-C4'-P energy: -17.430
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: 9, replica: 8
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -169.304222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.304222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.304222 (E_RNA)
where:
Base-Base interactions energy: -53.117
where: short stacking energy: -51.116
Base-Backbone interact. energy: 0.265
local terms energy: -116.452311
where:
bonds (distance) C4'-P energy: -30.202
bonds (distance) P-C4' energy: -35.633
flat angles C4'-P-C4' energy: -27.567
flat angles P-C4'-P energy: -20.599
tors. eta vs tors. theta energy: -2.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -223.173408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.173408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.173408 (E_RNA)
where:
Base-Base interactions energy: -120.771
where: short stacking energy: -72.536
Base-Backbone interact. energy: -0.323
local terms energy: -102.079508
where:
bonds (distance) C4'-P energy: -30.160
bonds (distance) P-C4' energy: -30.525
flat angles C4'-P-C4' energy: -18.336
flat angles P-C4'-P energy: -13.737
tors. eta vs tors. theta energy: -9.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -532.412721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.412721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.412721 (E_RNA)
where:
Base-Base interactions energy: -368.229
where: short stacking energy: -164.609
Base-Backbone interact. energy: -0.190
local terms energy: -163.993751
where:
bonds (distance) C4'-P energy: -33.670
bonds (distance) P-C4' energy: -28.630
flat angles C4'-P-C4' energy: -31.807
flat angles P-C4'-P energy: -22.927
tors. eta vs tors. theta energy: -46.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -505.877475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.877475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.877475 (E_RNA)
where:
Base-Base interactions energy: -339.209
where: short stacking energy: -153.724
Base-Backbone interact. energy: -0.380
local terms energy: -166.287929
where:
bonds (distance) C4'-P energy: -32.320
bonds (distance) P-C4' energy: -26.701
flat angles C4'-P-C4' energy: -33.089
flat angles P-C4'-P energy: -27.941
tors. eta vs tors. theta energy: -46.237
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: 2
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -511.339594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.339594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.339594 (E_RNA)
where:
Base-Base interactions energy: -340.504
where: short stacking energy: -150.942
Base-Backbone interact. energy: -0.013
local terms energy: -170.822578
where:
bonds (distance) C4'-P energy: -33.763
bonds (distance) P-C4' energy: -34.431
flat angles C4'-P-C4' energy: -31.675
flat angles P-C4'-P energy: -24.174
tors. eta vs tors. theta energy: -46.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -478.519685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.519685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.519685 (E_RNA)
where:
Base-Base interactions energy: -322.431
where: short stacking energy: -148.574
Base-Backbone interact. energy: -0.689
local terms energy: -155.400103
where:
bonds (distance) C4'-P energy: -34.739
bonds (distance) P-C4' energy: -30.640
flat angles C4'-P-C4' energy: -29.759
flat angles P-C4'-P energy: -20.233
tors. eta vs tors. theta energy: -40.029
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: 9
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -447.763740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.763740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.763740 (E_RNA)
where:
Base-Base interactions energy: -308.144
where: short stacking energy: -135.299
Base-Backbone interact. energy: -1.124
local terms energy: -138.496361
where:
bonds (distance) C4'-P energy: -28.218
bonds (distance) P-C4' energy: -24.880
flat angles C4'-P-C4' energy: -32.463
flat angles P-C4'-P energy: -19.806
tors. eta vs tors. theta energy: -33.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -354.039304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.039304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.039304 (E_RNA)
where:
Base-Base interactions energy: -219.274
where: short stacking energy: -104.872
Base-Backbone interact. energy: 0.084
local terms energy: -134.849405
where:
bonds (distance) C4'-P energy: -28.248
bonds (distance) P-C4' energy: -34.463
flat angles C4'-P-C4' energy: -36.567
flat angles P-C4'-P energy: -7.549
tors. eta vs tors. theta energy: -28.022
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: 3
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -394.020305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.020305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.020305 (E_RNA)
where:
Base-Base interactions energy: -249.387
where: short stacking energy: -116.771
Base-Backbone interact. energy: -1.832
local terms energy: -142.801191
where:
bonds (distance) C4'-P energy: -32.453
bonds (distance) P-C4' energy: -29.637
flat angles C4'-P-C4' energy: -27.947
flat angles P-C4'-P energy: -22.541
tors. eta vs tors. theta energy: -30.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -323.906208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.906208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.906208 (E_RNA)
where:
Base-Base interactions energy: -208.786
where: short stacking energy: -93.111
Base-Backbone interact. energy: -1.413
local terms energy: -113.706697
where:
bonds (distance) C4'-P energy: -17.483
bonds (distance) P-C4' energy: -24.806
flat angles C4'-P-C4' energy: -27.020
flat angles P-C4'-P energy: -21.917
tors. eta vs tors. theta energy: -22.482
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: 5
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -163.403675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.403675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.403675 (E_RNA)
where:
Base-Base interactions energy: -83.108
where: short stacking energy: -45.149
Base-Backbone interact. energy: 0.023
local terms energy: -80.318827
where:
bonds (distance) C4'-P energy: -30.342
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -16.442
flat angles P-C4'-P energy: -15.621
tors. eta vs tors. theta energy: 0.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -142.577881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.577881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.577881 (E_RNA)
where:
Base-Base interactions energy: -49.088
where: short stacking energy: -34.286
Base-Backbone interact. energy: -0.219
local terms energy: -93.270957
where:
bonds (distance) C4'-P energy: -29.307
bonds (distance) P-C4' energy: -33.346
flat angles C4'-P-C4' energy: -21.961
flat angles P-C4'-P energy: -4.291
tors. eta vs tors. theta energy: -4.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -546.835778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.835778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.835778 (E_RNA)
where:
Base-Base interactions energy: -372.824
where: short stacking energy: -167.712
Base-Backbone interact. energy: -0.036
local terms energy: -173.975388
where:
bonds (distance) C4'-P energy: -33.090
bonds (distance) P-C4' energy: -34.632
flat angles C4'-P-C4' energy: -31.104
flat angles P-C4'-P energy: -26.525
tors. eta vs tors. theta energy: -48.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -521.688582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.688582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.688582 (E_RNA)
where:
Base-Base interactions energy: -340.669
where: short stacking energy: -156.079
Base-Backbone interact. energy: -0.911
local terms energy: -180.108603
where:
bonds (distance) C4'-P energy: -31.096
bonds (distance) P-C4' energy: -32.492
flat angles C4'-P-C4' energy: -36.844
flat angles P-C4'-P energy: -28.005
tors. eta vs tors. theta energy: -51.671
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: 2
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -510.447700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.447700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.447700 (E_RNA)
where:
Base-Base interactions energy: -343.540
where: short stacking energy: -161.688
Base-Backbone interact. energy: 0.491
local terms energy: -167.399203
where:
bonds (distance) C4'-P energy: -27.641
bonds (distance) P-C4' energy: -33.354
flat angles C4'-P-C4' energy: -35.464
flat angles P-C4'-P energy: -25.048
tors. eta vs tors. theta energy: -45.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -484.680942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.680942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.680942 (E_RNA)
where:
Base-Base interactions energy: -339.160
where: short stacking energy: -128.929
Base-Backbone interact. energy: 0.587
local terms energy: -146.108323
where:
bonds (distance) C4'-P energy: -33.501
bonds (distance) P-C4' energy: -34.485
flat angles C4'-P-C4' energy: -31.028
flat angles P-C4'-P energy: -16.325
tors. eta vs tors. theta energy: -30.769
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: 5, replica: 10
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -461.118195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.118195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.118195 (E_RNA)
where:
Base-Base interactions energy: -305.769
where: short stacking energy: -135.516
Base-Backbone interact. energy: -0.331
local terms energy: -155.018532
where:
bonds (distance) C4'-P energy: -33.874
bonds (distance) P-C4' energy: -33.002
flat angles C4'-P-C4' energy: -30.073
flat angles P-C4'-P energy: -21.040
tors. eta vs tors. theta energy: -37.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -401.261625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.261625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.261625 (E_RNA)
where:
Base-Base interactions energy: -260.676
where: short stacking energy: -130.010
Base-Backbone interact. energy: -0.055
local terms energy: -140.530721
where:
bonds (distance) C4'-P energy: -30.785
bonds (distance) P-C4' energy: -30.031
flat angles C4'-P-C4' energy: -32.362
flat angles P-C4'-P energy: -18.511
tors. eta vs tors. theta energy: -28.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -352.644809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.644809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.644809 (E_RNA)
where:
Base-Base interactions energy: -238.676
where: short stacking energy: -113.700
Base-Backbone interact. energy: -0.740
local terms energy: -113.228896
where:
bonds (distance) C4'-P energy: -16.693
bonds (distance) P-C4' energy: -26.498
flat angles C4'-P-C4' energy: -27.809
flat angles P-C4'-P energy: -24.418
tors. eta vs tors. theta energy: -17.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -316.976312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.976312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.976312 (E_RNA)
where:
Base-Base interactions energy: -205.322
where: short stacking energy: -109.182
Base-Backbone interact. energy: -0.191
local terms energy: -111.462970
where:
bonds (distance) C4'-P energy: -25.742
bonds (distance) P-C4' energy: -30.576
flat angles C4'-P-C4' energy: -19.070
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -25.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -190.048727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.048727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.048727 (E_RNA)
where:
Base-Base interactions energy: -95.511
where: short stacking energy: -71.288
Base-Backbone interact. energy: -1.140
local terms energy: -93.397314
where:
bonds (distance) C4'-P energy: -23.439
bonds (distance) P-C4' energy: -33.102
flat angles C4'-P-C4' energy: -22.555
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -3.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -146.396702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.396702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.396702 (E_RNA)
where:
Base-Base interactions energy: -59.451
where: short stacking energy: -46.038
Base-Backbone interact. energy: -0.872
local terms energy: -86.073813
where:
bonds (distance) C4'-P energy: -28.976
bonds (distance) P-C4' energy: -23.256
flat angles C4'-P-C4' energy: -18.264
flat angles P-C4'-P energy: -14.699
tors. eta vs tors. theta energy: -0.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -532.961416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.961416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.961416 (E_RNA)
where:
Base-Base interactions energy: -355.194
where: short stacking energy: -166.019
Base-Backbone interact. energy: -1.052
local terms energy: -176.715392
where:
bonds (distance) C4'-P energy: -34.709
bonds (distance) P-C4' energy: -33.370
flat angles C4'-P-C4' energy: -35.887
flat angles P-C4'-P energy: -25.493
tors. eta vs tors. theta energy: -47.256
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: 6
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -535.917062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.917062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.917062 (E_RNA)
where:
Base-Base interactions energy: -365.196
where: short stacking energy: -164.280
Base-Backbone interact. energy: -0.795
local terms energy: -169.925687
where:
bonds (distance) C4'-P energy: -31.442
bonds (distance) P-C4' energy: -26.577
flat angles C4'-P-C4' energy: -39.517
flat angles P-C4'-P energy: -23.094
tors. eta vs tors. theta energy: -49.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -509.414307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.414307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.414307 (E_RNA)
where:
Base-Base interactions energy: -338.867
where: short stacking energy: -155.216
Base-Backbone interact. energy: -0.554
local terms energy: -169.992878
where:
bonds (distance) C4'-P energy: -30.949
bonds (distance) P-C4' energy: -34.044
flat angles C4'-P-C4' energy: -29.777
flat angles P-C4'-P energy: -25.492
tors. eta vs tors. theta energy: -49.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -482.807308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.807308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.807308 (E_RNA)
where:
Base-Base interactions energy: -327.676
where: short stacking energy: -133.739
Base-Backbone interact. energy: -0.735
local terms energy: -154.396912
where:
bonds (distance) C4'-P energy: -32.232
bonds (distance) P-C4' energy: -34.784
flat angles C4'-P-C4' energy: -30.501
flat angles P-C4'-P energy: -20.548
tors. eta vs tors. theta energy: -36.332
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: 10
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -454.643299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.643299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.643299 (E_RNA)
where:
Base-Base interactions energy: -313.082
where: short stacking energy: -133.573
Base-Backbone interact. energy: 0.025
local terms energy: -141.587187
where:
bonds (distance) C4'-P energy: -30.064
bonds (distance) P-C4' energy: -23.598
flat angles C4'-P-C4' energy: -32.389
flat angles P-C4'-P energy: -21.498
tors. eta vs tors. theta energy: -34.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -426.199165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.199165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.199165 (E_RNA)
where:
Base-Base interactions energy: -281.659
where: short stacking energy: -134.368
Base-Backbone interact. energy: -1.311
local terms energy: -143.229234
where:
bonds (distance) C4'-P energy: -23.682
bonds (distance) P-C4' energy: -28.216
flat angles C4'-P-C4' energy: -29.595
flat angles P-C4'-P energy: -19.664
tors. eta vs tors. theta energy: -42.073
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: 1
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -331.751025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.751025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.751025 (E_RNA)
where:
Base-Base interactions energy: -207.698
where: short stacking energy: -95.698
Base-Backbone interact. energy: -0.541
local terms energy: -123.512220
where:
bonds (distance) C4'-P energy: -29.390
bonds (distance) P-C4' energy: -34.195
flat angles C4'-P-C4' energy: -19.957
flat angles P-C4'-P energy: -18.079
tors. eta vs tors. theta energy: -21.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -336.865259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.865259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.865259 (E_RNA)
where:
Base-Base interactions energy: -211.139
where: short stacking energy: -103.224
Base-Backbone interact. energy: -1.312
local terms energy: -124.413494
where:
bonds (distance) C4'-P energy: -29.588
bonds (distance) P-C4' energy: -21.477
flat angles C4'-P-C4' energy: -25.541
flat angles P-C4'-P energy: -20.963
tors. eta vs tors. theta energy: -26.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -152.126899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.126899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.126899 (E_RNA)
where:
Base-Base interactions energy: -61.660
where: short stacking energy: -44.319
Base-Backbone interact. energy: -0.451
local terms energy: -90.015778
where:
bonds (distance) C4'-P energy: -33.116
bonds (distance) P-C4' energy: -28.351
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -13.929
tors. eta vs tors. theta energy: 0.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -163.102870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.102870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.102870 (E_RNA)
where:
Base-Base interactions energy: -53.556
where: short stacking energy: -40.534
Base-Backbone interact. energy: -0.526
local terms energy: -109.020879
where:
bonds (distance) C4'-P energy: -32.692
bonds (distance) P-C4' energy: -28.263
flat angles C4'-P-C4' energy: -28.380
flat angles P-C4'-P energy: -17.367
tors. eta vs tors. theta energy: -2.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -525.890524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.890524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.890524 (E_RNA)
where:
Base-Base interactions energy: -362.416
where: short stacking energy: -161.376
Base-Backbone interact. energy: -0.221
local terms energy: -163.252923
where:
bonds (distance) C4'-P energy: -30.186
bonds (distance) P-C4' energy: -34.828
flat angles C4'-P-C4' energy: -33.438
flat angles P-C4'-P energy: -20.973
tors. eta vs tors. theta energy: -43.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -539.186643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.186643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.186643 (E_RNA)
where:
Base-Base interactions energy: -360.410
where: short stacking energy: -163.430
Base-Backbone interact. energy: -1.616
local terms energy: -177.161009
where:
bonds (distance) C4'-P energy: -32.209
bonds (distance) P-C4' energy: -35.008
flat angles C4'-P-C4' energy: -36.888
flat angles P-C4'-P energy: -25.203
tors. eta vs tors. theta energy: -47.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -519.449535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.449535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.449535 (E_RNA)
where:
Base-Base interactions energy: -360.466
where: short stacking energy: -155.595
Base-Backbone interact. energy: 0.119
local terms energy: -159.103359
where:
bonds (distance) C4'-P energy: -23.388
bonds (distance) P-C4' energy: -30.819
flat angles C4'-P-C4' energy: -32.353
flat angles P-C4'-P energy: -20.465
tors. eta vs tors. theta energy: -52.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -485.759660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.759660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.759660 (E_RNA)
where:
Base-Base interactions energy: -322.541
where: short stacking energy: -144.459
Base-Backbone interact. energy: -0.280
local terms energy: -162.939208
where:
bonds (distance) C4'-P energy: -32.808
bonds (distance) P-C4' energy: -34.936
flat angles C4'-P-C4' energy: -33.101
flat angles P-C4'-P energy: -25.619
tors. eta vs tors. theta energy: -36.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -468.573435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.573435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.573435 (E_RNA)
where:
Base-Base interactions energy: -328.844
where: short stacking energy: -130.086
Base-Backbone interact. energy: -0.164
local terms energy: -139.565352
where:
bonds (distance) C4'-P energy: -28.381
bonds (distance) P-C4' energy: -31.284
flat angles C4'-P-C4' energy: -27.953
flat angles P-C4'-P energy: -16.548
tors. eta vs tors. theta energy: -35.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -409.037245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.037245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.037245 (E_RNA)
where:
Base-Base interactions energy: -277.592
where: short stacking energy: -122.460
Base-Backbone interact. energy: -1.369
local terms energy: -130.075439
where:
bonds (distance) C4'-P energy: -28.501
bonds (distance) P-C4' energy: -27.145
flat angles C4'-P-C4' energy: -29.360
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -32.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -334.890658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.890658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.890658 (E_RNA)
where:
Base-Base interactions energy: -214.109
where: short stacking energy: -98.723
Base-Backbone interact. energy: -0.281
local terms energy: -120.500561
where:
bonds (distance) C4'-P energy: -27.865
bonds (distance) P-C4' energy: -22.202
flat angles C4'-P-C4' energy: -28.719
flat angles P-C4'-P energy: -16.882
tors. eta vs tors. theta energy: -24.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -334.662707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.662707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.662707 (E_RNA)
where:
Base-Base interactions energy: -202.317
where: short stacking energy: -82.295
Base-Backbone interact. energy: -0.917
local terms energy: -131.428770
where:
bonds (distance) C4'-P energy: -25.753
bonds (distance) P-C4' energy: -30.962
flat angles C4'-P-C4' energy: -26.336
flat angles P-C4'-P energy: -24.951
tors. eta vs tors. theta energy: -23.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -153.677080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.677080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.677080 (E_RNA)
where:
Base-Base interactions energy: -71.732
where: short stacking energy: -50.703
Base-Backbone interact. energy: -0.491
local terms energy: -81.453422
where:
bonds (distance) C4'-P energy: -31.956
bonds (distance) P-C4' energy: -27.356
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -11.570
tors. eta vs tors. theta energy: 4.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -160.746588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.746588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.746588 (E_RNA)
where:
Base-Base interactions energy: -63.786
where: short stacking energy: -38.633
Base-Backbone interact. energy: -0.688
local terms energy: -96.272266
where:
bonds (distance) C4'-P energy: -29.225
bonds (distance) P-C4' energy: -24.515
flat angles C4'-P-C4' energy: -31.691
flat angles P-C4'-P energy: -12.526
tors. eta vs tors. theta energy: 1.684
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: 6
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -547.506287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.506287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.506287 (E_RNA)
where:
Base-Base interactions energy: -368.731
where: short stacking energy: -165.953
Base-Backbone interact. energy: -0.162
local terms energy: -178.612486
where:
bonds (distance) C4'-P energy: -34.564
bonds (distance) P-C4' energy: -33.071
flat angles C4'-P-C4' energy: -37.544
flat angles P-C4'-P energy: -26.861
tors. eta vs tors. theta energy: -46.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -503.831092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.831092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.831092 (E_RNA)
where:
Base-Base interactions energy: -348.458
where: short stacking energy: -148.083
Base-Backbone interact. energy: -1.769
local terms energy: -153.604514
where:
bonds (distance) C4'-P energy: -28.206
bonds (distance) P-C4' energy: -30.169
flat angles C4'-P-C4' energy: -31.521
flat angles P-C4'-P energy: -18.192
tors. eta vs tors. theta energy: -45.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -511.465007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.465007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.465007 (E_RNA)
where:
Base-Base interactions energy: -349.644
where: short stacking energy: -170.920
Base-Backbone interact. energy: -0.281
local terms energy: -161.539316
where:
bonds (distance) C4'-P energy: -22.439
bonds (distance) P-C4' energy: -25.125
flat angles C4'-P-C4' energy: -34.505
flat angles P-C4'-P energy: -24.603
tors. eta vs tors. theta energy: -54.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -488.891919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.891919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.891919 (E_RNA)
where:
Base-Base interactions energy: -317.175
where: short stacking energy: -149.518
Base-Backbone interact. energy: -1.975
local terms energy: -169.742342
where:
bonds (distance) C4'-P energy: -31.151
bonds (distance) P-C4' energy: -35.065
flat angles C4'-P-C4' energy: -34.188
flat angles P-C4'-P energy: -22.970
tors. eta vs tors. theta energy: -46.369
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: 9
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -467.595070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.595070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.595070 (E_RNA)
where:
Base-Base interactions energy: -316.471
where: short stacking energy: -132.580
Base-Backbone interact. energy: -0.822
local terms energy: -150.302131
where:
bonds (distance) C4'-P energy: -25.932
bonds (distance) P-C4' energy: -30.237
flat angles C4'-P-C4' energy: -30.689
flat angles P-C4'-P energy: -23.843
tors. eta vs tors. theta energy: -39.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -399.714106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.714106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.714106 (E_RNA)
where:
Base-Base interactions energy: -264.886
where: short stacking energy: -121.519
Base-Backbone interact. energy: -0.876
local terms energy: -133.952624
where:
bonds (distance) C4'-P energy: -29.655
bonds (distance) P-C4' energy: -29.145
flat angles C4'-P-C4' energy: -28.907
flat angles P-C4'-P energy: -13.001
tors. eta vs tors. theta energy: -33.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -361.460782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.460782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.460782 (E_RNA)
where:
Base-Base interactions energy: -223.323
where: short stacking energy: -105.738
Base-Backbone interact. energy: -0.439
local terms energy: -137.699064
where:
bonds (distance) C4'-P energy: -28.724
bonds (distance) P-C4' energy: -30.360
flat angles C4'-P-C4' energy: -34.408
flat angles P-C4'-P energy: -18.973
tors. eta vs tors. theta energy: -25.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -327.809110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.809110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.809110 (E_RNA)
where:
Base-Base interactions energy: -209.876
where: short stacking energy: -93.947
Base-Backbone interact. energy: -1.187
local terms energy: -116.745525
where:
bonds (distance) C4'-P energy: -26.253
bonds (distance) P-C4' energy: -27.841
flat angles C4'-P-C4' energy: -33.132
flat angles P-C4'-P energy: -13.744
tors. eta vs tors. theta energy: -15.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -158.317610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.317610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.317610 (E_RNA)
where:
Base-Base interactions energy: -65.363
where: short stacking energy: -50.712
Base-Backbone interact. energy: 0.949
local terms energy: -93.903364
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -33.010
flat angles C4'-P-C4' energy: -20.156
flat angles P-C4'-P energy: -19.578
tors. eta vs tors. theta energy: -5.823
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: 10, replica: 5
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -179.588391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.588391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.588391 (E_RNA)
where:
Base-Base interactions energy: -78.145
where: short stacking energy: -61.742
Base-Backbone interact. energy: -0.323
local terms energy: -101.120475
where:
bonds (distance) C4'-P energy: -29.163
bonds (distance) P-C4' energy: -26.753
flat angles C4'-P-C4' energy: -27.118
flat angles P-C4'-P energy: -13.095
tors. eta vs tors. theta energy: -4.991
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: 1, replica: 6
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -549.402563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.402563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.402563 (E_RNA)
where:
Base-Base interactions energy: -372.995
where: short stacking energy: -170.157
Base-Backbone interact. energy: -0.004
local terms energy: -176.403562
where:
bonds (distance) C4'-P energy: -27.594
bonds (distance) P-C4' energy: -35.383
flat angles C4'-P-C4' energy: -35.581
flat angles P-C4'-P energy: -27.513
tors. eta vs tors. theta energy: -50.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -536.677074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.677074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.677074 (E_RNA)
where:
Base-Base interactions energy: -360.111
where: short stacking energy: -159.914
Base-Backbone interact. energy: -1.437
local terms energy: -175.129669
where:
bonds (distance) C4'-P energy: -30.292
bonds (distance) P-C4' energy: -35.599
flat angles C4'-P-C4' energy: -33.525
flat angles P-C4'-P energy: -26.226
tors. eta vs tors. theta energy: -49.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -509.655097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.655097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.655097 (E_RNA)
where:
Base-Base interactions energy: -343.644
where: short stacking energy: -147.515
Base-Backbone interact. energy: 0.127
local terms energy: -166.138775
where:
bonds (distance) C4'-P energy: -29.810
bonds (distance) P-C4' energy: -35.020
flat angles C4'-P-C4' energy: -27.909
flat angles P-C4'-P energy: -24.685
tors. eta vs tors. theta energy: -48.715
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: 10
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -510.448501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.448501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.448501 (E_RNA)
where:
Base-Base interactions energy: -352.205
where: short stacking energy: -156.167
Base-Backbone interact. energy: -0.523
local terms energy: -157.720651
where:
bonds (distance) C4'-P energy: -29.317
bonds (distance) P-C4' energy: -24.314
flat angles C4'-P-C4' energy: -35.470
flat angles P-C4'-P energy: -25.525
tors. eta vs tors. theta energy: -43.094
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: 9
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -424.312659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.312659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.312659 (E_RNA)
where:
Base-Base interactions energy: -286.670
where: short stacking energy: -133.872
Base-Backbone interact. energy: -1.419
local terms energy: -136.223636
where:
bonds (distance) C4'-P energy: -31.016
bonds (distance) P-C4' energy: -23.984
flat angles C4'-P-C4' energy: -33.017
flat angles P-C4'-P energy: -15.987
tors. eta vs tors. theta energy: -32.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -373.093141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.093141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.093141 (E_RNA)
where:
Base-Base interactions energy: -239.184
where: short stacking energy: -117.034
Base-Backbone interact. energy: -1.102
local terms energy: -132.807318
where:
bonds (distance) C4'-P energy: -31.698
bonds (distance) P-C4' energy: -26.530
flat angles C4'-P-C4' energy: -32.883
flat angles P-C4'-P energy: -18.798
tors. eta vs tors. theta energy: -22.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -332.195516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.195516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.195516 (E_RNA)
where:
Base-Base interactions energy: -217.170
where: short stacking energy: -113.141
Base-Backbone interact. energy: -0.601
local terms energy: -114.424682
where:
bonds (distance) C4'-P energy: -23.553
bonds (distance) P-C4' energy: -32.378
flat angles C4'-P-C4' energy: -25.594
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -22.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -353.565538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.565538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.565538 (E_RNA)
where:
Base-Base interactions energy: -234.765
where: short stacking energy: -116.904
Base-Backbone interact. energy: -0.274
local terms energy: -118.526422
where:
bonds (distance) C4'-P energy: -23.150
bonds (distance) P-C4' energy: -21.925
flat angles C4'-P-C4' energy: -29.332
flat angles P-C4'-P energy: -14.623
tors. eta vs tors. theta energy: -29.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -160.278963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.278963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.278963 (E_RNA)
where:
Base-Base interactions energy: -70.660
where: short stacking energy: -44.563
Base-Backbone interact. energy: -1.089
local terms energy: -88.530441
where:
bonds (distance) C4'-P energy: -30.326
bonds (distance) P-C4' energy: -22.862
flat angles C4'-P-C4' energy: -23.801
flat angles P-C4'-P energy: -19.083
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: 10, replica: 5
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -164.026569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.026569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.026569 (E_RNA)
where:
Base-Base interactions energy: -81.335
where: short stacking energy: -79.294
Base-Backbone interact. energy: 0.305
local terms energy: -82.997284
where:
bonds (distance) C4'-P energy: -21.177
bonds (distance) P-C4' energy: -22.642
flat angles C4'-P-C4' energy: -24.767
flat angles P-C4'-P energy: -7.878
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: 1, replica: 4
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -536.951697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.951697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.951697 (E_RNA)
where:
Base-Base interactions energy: -366.788
where: short stacking energy: -157.850
Base-Backbone interact. energy: -1.246
local terms energy: -168.918681
where:
bonds (distance) C4'-P energy: -35.836
bonds (distance) P-C4' energy: -29.639
flat angles C4'-P-C4' energy: -29.699
flat angles P-C4'-P energy: -25.228
tors. eta vs tors. theta energy: -48.517
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: 2, replica: 6
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -537.625189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.625189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.625189 (E_RNA)
where:
Base-Base interactions energy: -363.941
where: short stacking energy: -168.640
Base-Backbone interact. energy: -0.091
local terms energy: -173.592742
where:
bonds (distance) C4'-P energy: -26.312
bonds (distance) P-C4' energy: -36.586
flat angles C4'-P-C4' energy: -32.493
flat angles P-C4'-P energy: -27.061
tors. eta vs tors. theta energy: -51.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -495.995586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.995586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.995586 (E_RNA)
where:
Base-Base interactions energy: -334.766
where: short stacking energy: -154.623
Base-Backbone interact. energy: -0.095
local terms energy: -161.134067
where:
bonds (distance) C4'-P energy: -27.127
bonds (distance) P-C4' energy: -32.623
flat angles C4'-P-C4' energy: -33.783
flat angles P-C4'-P energy: -26.570
tors. eta vs tors. theta energy: -41.032
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: 4, replica: 2
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -493.878475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.878475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.878475 (E_RNA)
where:
Base-Base interactions energy: -339.142
where: short stacking energy: -149.061
Base-Backbone interact. energy: -0.136
local terms energy: -154.600049
where:
bonds (distance) C4'-P energy: -28.126
bonds (distance) P-C4' energy: -24.733
flat angles C4'-P-C4' energy: -33.017
flat angles P-C4'-P energy: -26.057
tors. eta vs tors. theta energy: -42.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -406.622342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.622342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.622342 (E_RNA)
where:
Base-Base interactions energy: -272.347
where: short stacking energy: -124.887
Base-Backbone interact. energy: -1.586
local terms energy: -132.689780
where:
bonds (distance) C4'-P energy: -24.770
bonds (distance) P-C4' energy: -33.429
flat angles C4'-P-C4' energy: -30.548
flat angles P-C4'-P energy: -19.853
tors. eta vs tors. theta energy: -24.089
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: 3
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -346.003469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.003469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.003469 (E_RNA)
where:
Base-Base interactions energy: -223.184
where: short stacking energy: -95.001
Base-Backbone interact. energy: -0.147
local terms energy: -122.672912
where:
bonds (distance) C4'-P energy: -26.736
bonds (distance) P-C4' energy: -30.279
flat angles C4'-P-C4' energy: -27.485
flat angles P-C4'-P energy: -17.634
tors. eta vs tors. theta energy: -20.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -353.181488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.181488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.181488 (E_RNA)
where:
Base-Base interactions energy: -206.692
where: short stacking energy: -109.929
Base-Backbone interact. energy: -0.656
local terms energy: -145.833102
where:
bonds (distance) C4'-P energy: -32.182
bonds (distance) P-C4' energy: -28.625
flat angles C4'-P-C4' energy: -32.084
flat angles P-C4'-P energy: -20.281
tors. eta vs tors. theta energy: -32.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -323.869956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.869956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.869956 (E_RNA)
where:
Base-Base interactions energy: -200.907
where: short stacking energy: -98.048
Base-Backbone interact. energy: -0.392
local terms energy: -122.570719
where:
bonds (distance) C4'-P energy: -31.563
bonds (distance) P-C4' energy: -27.062
flat angles C4'-P-C4' energy: -23.488
flat angles P-C4'-P energy: -18.540
tors. eta vs tors. theta energy: -21.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -168.348629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.348629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.348629 (E_RNA)
where:
Base-Base interactions energy: -77.227
where: short stacking energy: -61.990
Base-Backbone interact. energy: 0.734
local terms energy: -91.855729
where:
bonds (distance) C4'-P energy: -20.483
bonds (distance) P-C4' energy: -27.285
flat angles C4'-P-C4' energy: -24.752
flat angles P-C4'-P energy: -13.530
tors. eta vs tors. theta energy: -5.807
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: 8
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -148.835990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.835990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.835990 (E_RNA)
where:
Base-Base interactions energy: -46.774
where: short stacking energy: -42.435
Base-Backbone interact. energy: -0.687
local terms energy: -101.374699
where:
bonds (distance) C4'-P energy: -30.999
bonds (distance) P-C4' energy: -27.356
flat angles C4'-P-C4' energy: -20.417
flat angles P-C4'-P energy: -24.069
tors. eta vs tors. theta energy: 1.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -537.830859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.830859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.830859 (E_RNA)
where:
Base-Base interactions energy: -361.664
where: short stacking energy: -169.907
Base-Backbone interact. energy: 0.195
local terms energy: -176.362307
where:
bonds (distance) C4'-P energy: -34.614
bonds (distance) P-C4' energy: -34.721
flat angles C4'-P-C4' energy: -32.722
flat angles P-C4'-P energy: -27.824
tors. eta vs tors. theta energy: -46.481
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: 6
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -530.079614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.079614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.079614 (E_RNA)
where:
Base-Base interactions energy: -367.080
where: short stacking energy: -170.153
Base-Backbone interact. energy: -0.412
local terms energy: -162.587166
where:
bonds (distance) C4'-P energy: -32.060
bonds (distance) P-C4' energy: -27.679
flat angles C4'-P-C4' energy: -36.390
flat angles P-C4'-P energy: -18.401
tors. eta vs tors. theta energy: -48.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -490.813701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.813701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.813701 (E_RNA)
where:
Base-Base interactions energy: -334.686
where: short stacking energy: -152.303
Base-Backbone interact. energy: 2.238
local terms energy: -158.365149
where:
bonds (distance) C4'-P energy: -26.356
bonds (distance) P-C4' energy: -32.887
flat angles C4'-P-C4' energy: -34.137
flat angles P-C4'-P energy: -23.373
tors. eta vs tors. theta energy: -41.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -455.529011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.529011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.529011 (E_RNA)
where:
Base-Base interactions energy: -292.657
where: short stacking energy: -133.793
Base-Backbone interact. energy: -0.771
local terms energy: -162.100863
where:
bonds (distance) C4'-P energy: -26.320
bonds (distance) P-C4' energy: -35.380
flat angles C4'-P-C4' energy: -33.030
flat angles P-C4'-P energy: -25.893
tors. eta vs tors. theta energy: -41.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -494.174081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.174081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.174081 (E_RNA)
where:
Base-Base interactions energy: -326.004
where: short stacking energy: -146.372
Base-Backbone interact. energy: -0.585
local terms energy: -167.584924
where:
bonds (distance) C4'-P energy: -31.882
bonds (distance) P-C4' energy: -32.226
flat angles C4'-P-C4' energy: -34.390
flat angles P-C4'-P energy: -19.523
tors. eta vs tors. theta energy: -49.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -414.092733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.092733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.092733 (E_RNA)
where:
Base-Base interactions energy: -269.334
where: short stacking energy: -132.691
Base-Backbone interact. energy: -0.403
local terms energy: -144.355496
where:
bonds (distance) C4'-P energy: -29.311
bonds (distance) P-C4' energy: -29.746
flat angles C4'-P-C4' energy: -34.642
flat angles P-C4'-P energy: -20.080
tors. eta vs tors. theta energy: -30.577
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: 7
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -352.171659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.171659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.171659 (E_RNA)
where:
Base-Base interactions energy: -221.030
where: short stacking energy: -105.634
Base-Backbone interact. energy: 0.751
local terms energy: -131.891940
where:
bonds (distance) C4'-P energy: -26.205
bonds (distance) P-C4' energy: -31.449
flat angles C4'-P-C4' energy: -34.945
flat angles P-C4'-P energy: -15.497
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: 8, replica: 1
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -331.153212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.153212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.153212 (E_RNA)
where:
Base-Base interactions energy: -217.972
where: short stacking energy: -101.873
Base-Backbone interact. energy: -0.846
local terms energy: -112.334948
where:
bonds (distance) C4'-P energy: -25.275
bonds (distance) P-C4' energy: -20.877
flat angles C4'-P-C4' energy: -22.309
flat angles P-C4'-P energy: -16.894
tors. eta vs tors. theta energy: -26.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -178.434569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.434569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.434569 (E_RNA)
where:
Base-Base interactions energy: -74.903
where: short stacking energy: -48.183
Base-Backbone interact. energy: -0.390
local terms energy: -103.141250
where:
bonds (distance) C4'-P energy: -28.091
bonds (distance) P-C4' energy: -28.678
flat angles C4'-P-C4' energy: -21.689
flat angles P-C4'-P energy: -14.194
tors. eta vs tors. theta energy: -10.489
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: 8
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -148.692634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.692634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.692634 (E_RNA)
where:
Base-Base interactions energy: -58.299
where: short stacking energy: -57.544
Base-Backbone interact. energy: 1.180
local terms energy: -91.573377
where:
bonds (distance) C4'-P energy: -23.942
bonds (distance) P-C4' energy: -29.507
flat angles C4'-P-C4' energy: -20.465
flat angles P-C4'-P energy: -15.853
tors. eta vs tors. theta energy: -1.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -541.498716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.498716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.498716 (E_RNA)
where:
Base-Base interactions energy: -370.950
where: short stacking energy: -170.085
Base-Backbone interact. energy: -0.667
local terms energy: -169.881652
where:
bonds (distance) C4'-P energy: -33.108
bonds (distance) P-C4' energy: -28.397
flat angles C4'-P-C4' energy: -36.533
flat angles P-C4'-P energy: -27.690
tors. eta vs tors. theta energy: -44.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -527.994630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.994630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.994630 (E_RNA)
where:
Base-Base interactions energy: -364.043
where: short stacking energy: -154.979
Base-Backbone interact. energy: -1.009
local terms energy: -162.942990
where:
bonds (distance) C4'-P energy: -30.664
bonds (distance) P-C4' energy: -22.276
flat angles C4'-P-C4' energy: -34.787
flat angles P-C4'-P energy: -28.636
tors. eta vs tors. theta energy: -46.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -497.501003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.501003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.501003 (E_RNA)
where:
Base-Base interactions energy: -339.463
where: short stacking energy: -148.377
Base-Backbone interact. energy: -1.106
local terms energy: -156.932375
where:
bonds (distance) C4'-P energy: -27.463
bonds (distance) P-C4' energy: -28.618
flat angles C4'-P-C4' energy: -33.056
flat angles P-C4'-P energy: -22.675
tors. eta vs tors. theta energy: -45.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -461.579170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.579170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.579170 (E_RNA)
where:
Base-Base interactions energy: -312.568
where: short stacking energy: -161.047
Base-Backbone interact. energy: 0.892
local terms energy: -149.903029
where:
bonds (distance) C4'-P energy: -33.339
bonds (distance) P-C4' energy: -23.827
flat angles C4'-P-C4' energy: -37.823
flat angles P-C4'-P energy: -18.097
tors. eta vs tors. theta energy: -36.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -485.265068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.265068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.265068 (E_RNA)
where:
Base-Base interactions energy: -333.198
where: short stacking energy: -156.834
Base-Backbone interact. energy: -0.419
local terms energy: -151.647715
where:
bonds (distance) C4'-P energy: -28.197
bonds (distance) P-C4' energy: -22.478
flat angles C4'-P-C4' energy: -35.415
flat angles P-C4'-P energy: -22.318
tors. eta vs tors. theta energy: -43.240
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: 3
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -404.526554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.526554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.526554 (E_RNA)
where:
Base-Base interactions energy: -267.770
where: short stacking energy: -105.789
Base-Backbone interact. energy: -0.809
local terms energy: -135.947127
where:
bonds (distance) C4'-P energy: -28.374
bonds (distance) P-C4' energy: -29.401
flat angles C4'-P-C4' energy: -27.172
flat angles P-C4'-P energy: -20.130
tors. eta vs tors. theta energy: -30.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -366.745154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.745154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.745154 (E_RNA)
where:
Base-Base interactions energy: -231.394
where: short stacking energy: -112.933
Base-Backbone interact. energy: -0.485
local terms energy: -134.865776
where:
bonds (distance) C4'-P energy: -26.131
bonds (distance) P-C4' energy: -31.323
flat angles C4'-P-C4' energy: -26.735
flat angles P-C4'-P energy: -21.663
tors. eta vs tors. theta energy: -29.013
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: 1
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -296.526815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.526815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.526815 (E_RNA)
where:
Base-Base interactions energy: -172.685
where: short stacking energy: -68.491
Base-Backbone interact. energy: -1.051
local terms energy: -122.790386
where:
bonds (distance) C4'-P energy: -32.825
bonds (distance) P-C4' energy: -32.742
flat angles C4'-P-C4' energy: -28.633
flat angles P-C4'-P energy: -15.428
tors. eta vs tors. theta energy: -13.163
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: 8
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -177.615843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.615843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.615843 (E_RNA)
where:
Base-Base interactions energy: -86.880
where: short stacking energy: -70.263
Base-Backbone interact. energy: -0.436
local terms energy: -90.300386
where:
bonds (distance) C4'-P energy: -26.165
bonds (distance) P-C4' energy: -28.459
flat angles C4'-P-C4' energy: -19.415
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -4.655
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: 10, replica: 5
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -161.381567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.381567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.381567 (E_RNA)
where:
Base-Base interactions energy: -63.925
where: short stacking energy: -63.086
Base-Backbone interact. energy: 1.580
local terms energy: -99.036316
where:
bonds (distance) C4'-P energy: -30.398
bonds (distance) P-C4' energy: -21.746
flat angles C4'-P-C4' energy: -21.325
flat angles P-C4'-P energy: -13.453
tors. eta vs tors. theta energy: -12.112
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: 6
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -539.017813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.017813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.017813 (E_RNA)
where:
Base-Base interactions energy: -360.627
where: short stacking energy: -174.717
Base-Backbone interact. energy: -0.592
local terms energy: -177.798068
where:
bonds (distance) C4'-P energy: -34.747
bonds (distance) P-C4' energy: -32.374
flat angles C4'-P-C4' energy: -35.921
flat angles P-C4'-P energy: -22.280
tors. eta vs tors. theta energy: -52.477
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: 475
Temperature: 0.950000
Total energy: -513.021700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.021700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.021700 (E_RNA)
where:
Base-Base interactions energy: -352.213
where: short stacking energy: -162.285
Base-Backbone interact. energy: -0.749
local terms energy: -160.060228
where:
bonds (distance) C4'-P energy: -31.803
bonds (distance) P-C4' energy: -26.981
flat angles C4'-P-C4' energy: -34.838
flat angles P-C4'-P energy: -19.326
tors. eta vs tors. theta energy: -47.112
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: 3, replica: 10
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -483.751535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.751535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.751535 (E_RNA)
where:
Base-Base interactions energy: -330.063
where: short stacking energy: -147.986
Base-Backbone interact. energy: -0.735
local terms energy: -152.953535
where:
bonds (distance) C4'-P energy: -26.305
bonds (distance) P-C4' energy: -32.296
flat angles C4'-P-C4' energy: -34.747
flat angles P-C4'-P energy: -23.049
tors. eta vs tors. theta energy: -36.557
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: 2
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -494.145286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.145286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.145286 (E_RNA)
where:
Base-Base interactions energy: -343.419
where: short stacking energy: -149.621
Base-Backbone interact. energy: -0.029
local terms energy: -150.697193
where:
bonds (distance) C4'-P energy: -29.263
bonds (distance) P-C4' energy: -23.658
flat angles C4'-P-C4' energy: -34.553
flat angles P-C4'-P energy: -22.175
tors. eta vs tors. theta energy: -41.048
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: 9
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -413.915745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.915745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.915745 (E_RNA)
where:
Base-Base interactions energy: -279.955
where: short stacking energy: -131.092
Base-Backbone interact. energy: -0.099
local terms energy: -133.861335
where:
bonds (distance) C4'-P energy: -27.731
bonds (distance) P-C4' energy: -29.605
flat angles C4'-P-C4' energy: -32.130
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -33.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -349.700060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.700060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.700060 (E_RNA)
where:
Base-Base interactions energy: -208.294
where: short stacking energy: -103.711
Base-Backbone interact. energy: -0.972
local terms energy: -140.434270
where:
bonds (distance) C4'-P energy: -26.550
bonds (distance) P-C4' energy: -30.203
flat angles C4'-P-C4' energy: -36.368
flat angles P-C4'-P energy: -16.872
tors. eta vs tors. theta energy: -30.441
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: 7, replica: 3
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -374.562331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.562331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.562331 (E_RNA)
where:
Base-Base interactions energy: -246.665
where: short stacking energy: -110.622
Base-Backbone interact. energy: -0.900
local terms energy: -126.997150
where:
bonds (distance) C4'-P energy: -30.942
bonds (distance) P-C4' energy: -31.325
flat angles C4'-P-C4' energy: -27.762
flat angles P-C4'-P energy: -15.903
tors. eta vs tors. theta energy: -21.065
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: 8, replica: 1
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -304.703226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.703226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.703226 (E_RNA)
where:
Base-Base interactions energy: -194.609
where: short stacking energy: -91.729
Base-Backbone interact. energy: -0.593
local terms energy: -109.501076
where:
bonds (distance) C4'-P energy: -20.390
bonds (distance) P-C4' energy: -26.830
flat angles C4'-P-C4' energy: -26.938
flat angles P-C4'-P energy: -17.947
tors. eta vs tors. theta energy: -17.397
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: 8
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -176.120543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.120543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.120543 (E_RNA)
where:
Base-Base interactions energy: -74.089
where: short stacking energy: -56.128
Base-Backbone interact. energy: -0.920
local terms energy: -101.110730
where:
bonds (distance) C4'-P energy: -34.503
bonds (distance) P-C4' energy: -30.502
flat angles C4'-P-C4' energy: -20.994
flat angles P-C4'-P energy: -15.274
tors. eta vs tors. theta energy: 0.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -150.401129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.401129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.401129 (E_RNA)
where:
Base-Base interactions energy: -53.182
where: short stacking energy: -36.289
Base-Backbone interact. energy: -1.439
local terms energy: -95.780387
where:
bonds (distance) C4'-P energy: -29.524
bonds (distance) P-C4' energy: -30.465
flat angles C4'-P-C4' energy: -17.886
flat angles P-C4'-P energy: -21.512
tors. eta vs tors. theta energy: 3.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -532.956285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.956285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.956285 (E_RNA)
where:
Base-Base interactions energy: -364.403
where: short stacking energy: -165.541
Base-Backbone interact. energy: -0.400
local terms energy: -168.153464
where:
bonds (distance) C4'-P energy: -28.591
bonds (distance) P-C4' energy: -31.572
flat angles C4'-P-C4' energy: -33.130
flat angles P-C4'-P energy: -24.771
tors. eta vs tors. theta energy: -50.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -513.326040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.326040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.326040 (E_RNA)
where:
Base-Base interactions energy: -344.009
where: short stacking energy: -165.050
Base-Backbone interact. energy: -0.126
local terms energy: -169.190646
where:
bonds (distance) C4'-P energy: -31.556
bonds (distance) P-C4' energy: -31.435
flat angles C4'-P-C4' energy: -37.676
flat angles P-C4'-P energy: -25.146
tors. eta vs tors. theta energy: -43.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -505.732157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.732157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.732157 (E_RNA)
where:
Base-Base interactions energy: -348.812
where: short stacking energy: -163.556
Base-Backbone interact. energy: -0.151
local terms energy: -156.769633
where:
bonds (distance) C4'-P energy: -31.074
bonds (distance) P-C4' energy: -29.511
flat angles C4'-P-C4' energy: -30.039
flat angles P-C4'-P energy: -19.230
tors. eta vs tors. theta energy: -46.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -468.313030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.313030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.313030 (E_RNA)
where:
Base-Base interactions energy: -310.999
where: short stacking energy: -142.916
Base-Backbone interact. energy: -0.124
local terms energy: -157.189766
where:
bonds (distance) C4'-P energy: -33.711
bonds (distance) P-C4' energy: -34.813
flat angles C4'-P-C4' energy: -31.759
flat angles P-C4'-P energy: -16.226
tors. eta vs tors. theta energy: -40.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -466.288270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.288270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.288270 (E_RNA)
where:
Base-Base interactions energy: -328.545
where: short stacking energy: -137.977
Base-Backbone interact. energy: 1.109
local terms energy: -138.852071
where:
bonds (distance) C4'-P energy: -28.595
bonds (distance) P-C4' energy: -35.801
flat angles C4'-P-C4' energy: -27.616
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -35.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -349.361930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.361930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.361930 (E_RNA)
where:
Base-Base interactions energy: -217.310
where: short stacking energy: -104.675
Base-Backbone interact. energy: -0.785
local terms energy: -131.266444
where:
bonds (distance) C4'-P energy: -31.075
bonds (distance) P-C4' energy: -29.669
flat angles C4'-P-C4' energy: -32.360
flat angles P-C4'-P energy: -19.509
tors. eta vs tors. theta energy: -18.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -365.552998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.552998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.552998 (E_RNA)
where:
Base-Base interactions energy: -242.534
where: short stacking energy: -106.189
Base-Backbone interact. energy: -1.657
local terms energy: -121.361863
where:
bonds (distance) C4'-P energy: -22.915
bonds (distance) P-C4' energy: -26.484
flat angles C4'-P-C4' energy: -32.732
flat angles P-C4'-P energy: -21.215
tors. eta vs tors. theta energy: -18.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -295.015747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.015747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.015747 (E_RNA)
where:
Base-Base interactions energy: -197.885
where: short stacking energy: -93.696
Base-Backbone interact. energy: 0.074
local terms energy: -97.204746
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -27.493
flat angles C4'-P-C4' energy: -23.364
flat angles P-C4'-P energy: -15.258
tors. eta vs tors. theta energy: -16.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -158.045083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.045083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.045083 (E_RNA)
where:
Base-Base interactions energy: -72.490
where: short stacking energy: -56.315
Base-Backbone interact. energy: -0.912
local terms energy: -84.642793
where:
bonds (distance) C4'-P energy: -24.014
bonds (distance) P-C4' energy: -25.830
flat angles C4'-P-C4' energy: -21.650
flat angles P-C4'-P energy: -18.680
tors. eta vs tors. theta energy: 5.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -183.012849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.012849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.012849 (E_RNA)
where:
Base-Base interactions energy: -88.037
where: short stacking energy: -62.695
Base-Backbone interact. energy: -0.361
local terms energy: -94.614652
where:
bonds (distance) C4'-P energy: -28.667
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -25.627
flat angles P-C4'-P energy: -21.887
tors. eta vs tors. theta energy: -4.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -533.924047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.924047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.924047 (E_RNA)
where:
Base-Base interactions energy: -367.268
where: short stacking energy: -165.273
Base-Backbone interact. energy: -0.098
local terms energy: -166.558119
where:
bonds (distance) C4'-P energy: -29.397
bonds (distance) P-C4' energy: -33.631
flat angles C4'-P-C4' energy: -31.857
flat angles P-C4'-P energy: -24.021
tors. eta vs tors. theta energy: -47.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -520.612428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.612428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.612428 (E_RNA)
where:
Base-Base interactions energy: -357.731
where: short stacking energy: -158.306
Base-Backbone interact. energy: -0.911
local terms energy: -161.970876
where:
bonds (distance) C4'-P energy: -25.785
bonds (distance) P-C4' energy: -33.073
flat angles C4'-P-C4' energy: -35.392
flat angles P-C4'-P energy: -22.332
tors. eta vs tors. theta energy: -45.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -516.453852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.453852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.453852 (E_RNA)
where:
Base-Base interactions energy: -348.631
where: short stacking energy: -149.253
Base-Backbone interact. energy: -0.247
local terms energy: -167.576441
where:
bonds (distance) C4'-P energy: -27.438
bonds (distance) P-C4' energy: -32.714
flat angles C4'-P-C4' energy: -34.893
flat angles P-C4'-P energy: -24.542
tors. eta vs tors. theta energy: -47.989
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: 9
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -482.576291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.576291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.576291 (E_RNA)
where:
Base-Base interactions energy: -343.377
where: short stacking energy: -144.912
Base-Backbone interact. energy: -0.199
local terms energy: -138.999879
where:
bonds (distance) C4'-P energy: -31.029
bonds (distance) P-C4' energy: -31.758
flat angles C4'-P-C4' energy: -27.870
flat angles P-C4'-P energy: -15.548
tors. eta vs tors. theta energy: -32.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -459.683782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.683782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.683782 (E_RNA)
where:
Base-Base interactions energy: -309.485
where: short stacking energy: -135.182
Base-Backbone interact. energy: -2.050
local terms energy: -148.148671
where:
bonds (distance) C4'-P energy: -27.764
bonds (distance) P-C4' energy: -27.976
flat angles C4'-P-C4' energy: -34.755
flat angles P-C4'-P energy: -20.587
tors. eta vs tors. theta energy: -37.067
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: 7
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -353.916633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.916633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.916633 (E_RNA)
where:
Base-Base interactions energy: -214.010
where: short stacking energy: -110.123
Base-Backbone interact. energy: -0.814
local terms energy: -139.092366
where:
bonds (distance) C4'-P energy: -30.996
bonds (distance) P-C4' energy: -23.360
flat angles C4'-P-C4' energy: -31.991
flat angles P-C4'-P energy: -24.856
tors. eta vs tors. theta energy: -27.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -328.336900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.336900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.336900 (E_RNA)
where:
Base-Base interactions energy: -224.591
where: short stacking energy: -87.213
Base-Backbone interact. energy: -0.407
local terms energy: -103.338527
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -29.815
flat angles C4'-P-C4' energy: -29.094
flat angles P-C4'-P energy: -15.884
tors. eta vs tors. theta energy: -13.109
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: 8, replica: 1
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -320.842509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.842509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.842509 (E_RNA)
where:
Base-Base interactions energy: -194.000
where: short stacking energy: -96.676
Base-Backbone interact. energy: 0.962
local terms energy: -127.804277
where:
bonds (distance) C4'-P energy: -26.406
bonds (distance) P-C4' energy: -22.509
flat angles C4'-P-C4' energy: -26.012
flat angles P-C4'-P energy: -23.875
tors. eta vs tors. theta energy: -29.001
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: 8
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -158.581952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.581952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.581952 (E_RNA)
where:
Base-Base interactions energy: -64.408
where: short stacking energy: -60.543
Base-Backbone interact. energy: -1.407
local terms energy: -92.766960
where:
bonds (distance) C4'-P energy: -31.368
bonds (distance) P-C4' energy: -24.578
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -16.303
tors. eta vs tors. theta energy: -4.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -209.696291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.696291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.696291 (E_RNA)
where:
Base-Base interactions energy: -115.741
where: short stacking energy: -60.165
Base-Backbone interact. energy: -0.241
local terms energy: -93.714427
where:
bonds (distance) C4'-P energy: -29.315
bonds (distance) P-C4' energy: -26.109
flat angles C4'-P-C4' energy: -11.811
flat angles P-C4'-P energy: -21.569
tors. eta vs tors. theta energy: -4.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -549.168746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.168746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.168746 (E_RNA)
where:
Base-Base interactions energy: -372.756
where: short stacking energy: -174.256
Base-Backbone interact. energy: -2.336
local terms energy: -174.076838
where:
bonds (distance) C4'-P energy: -30.140
bonds (distance) P-C4' energy: -31.585
flat angles C4'-P-C4' energy: -39.133
flat angles P-C4'-P energy: -22.263
tors. eta vs tors. theta energy: -50.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -529.527445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.527445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.527445 (E_RNA)
where:
Base-Base interactions energy: -358.463
where: short stacking energy: -165.824
Base-Backbone interact. energy: -0.217
local terms energy: -170.848281
where:
bonds (distance) C4'-P energy: -30.163
bonds (distance) P-C4' energy: -36.873
flat angles C4'-P-C4' energy: -36.767
flat angles P-C4'-P energy: -21.334
tors. eta vs tors. theta energy: -45.710
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: 2
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -517.960513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.960513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.960513 (E_RNA)
where:
Base-Base interactions energy: -352.425
where: short stacking energy: -158.366
Base-Backbone interact. energy: -0.522
local terms energy: -165.013628
where:
bonds (distance) C4'-P energy: -33.866
bonds (distance) P-C4' energy: -22.641
flat angles C4'-P-C4' energy: -33.787
flat angles P-C4'-P energy: -27.169
tors. eta vs tors. theta energy: -47.550
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: 9
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -467.200488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.200488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.200488 (E_RNA)
where:
Base-Base interactions energy: -318.421
where: short stacking energy: -148.262
Base-Backbone interact. energy: -1.409
local terms energy: -147.370941
where:
bonds (distance) C4'-P energy: -26.351
bonds (distance) P-C4' energy: -29.744
flat angles C4'-P-C4' energy: -32.864
flat angles P-C4'-P energy: -25.109
tors. eta vs tors. theta energy: -33.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -472.387562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.387562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.387562 (E_RNA)
where:
Base-Base interactions energy: -317.990
where: short stacking energy: -142.837
Base-Backbone interact. energy: -0.130
local terms energy: -154.267956
where:
bonds (distance) C4'-P energy: -25.648
bonds (distance) P-C4' energy: -32.945
flat angles C4'-P-C4' energy: -34.315
flat angles P-C4'-P energy: -19.841
tors. eta vs tors. theta energy: -41.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -347.620062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.620062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.620062 (E_RNA)
where:
Base-Base interactions energy: -227.607
where: short stacking energy: -94.866
Base-Backbone interact. energy: -0.140
local terms energy: -119.873060
where:
bonds (distance) C4'-P energy: -23.185
bonds (distance) P-C4' energy: -33.404
flat angles C4'-P-C4' energy: -29.355
flat angles P-C4'-P energy: -16.010
tors. eta vs tors. theta energy: -17.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -307.203709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.203709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.203709 (E_RNA)
where:
Base-Base interactions energy: -193.765
where: short stacking energy: -87.747
Base-Backbone interact. energy: -0.430
local terms energy: -113.008605
where:
bonds (distance) C4'-P energy: -20.389
bonds (distance) P-C4' energy: -29.438
flat angles C4'-P-C4' energy: -33.326
flat angles P-C4'-P energy: -15.495
tors. eta vs tors. theta energy: -14.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -320.505653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.505653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.505653 (E_RNA)
where:
Base-Base interactions energy: -214.982
where: short stacking energy: -104.017
Base-Backbone interact. energy: -0.126
local terms energy: -105.398005
where:
bonds (distance) C4'-P energy: -29.429
bonds (distance) P-C4' energy: -31.941
flat angles C4'-P-C4' energy: -20.998
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -11.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -166.572552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.572552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.572552 (E_RNA)
where:
Base-Base interactions energy: -73.973
where: short stacking energy: -73.245
Base-Backbone interact. energy: -0.170
local terms energy: -92.429351
where:
bonds (distance) C4'-P energy: -23.197
bonds (distance) P-C4' energy: -24.953
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -16.489
tors. eta vs tors. theta energy: -11.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -150.381797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.381797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.381797 (E_RNA)
where:
Base-Base interactions energy: -53.498
where: short stacking energy: -46.797
Base-Backbone interact. energy: 0.643
local terms energy: -97.525869
where:
bonds (distance) C4'-P energy: -32.081
bonds (distance) P-C4' energy: -28.742
flat angles C4'-P-C4' energy: -17.754
flat angles P-C4'-P energy: -16.524
tors. eta vs tors. theta energy: -2.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -542.004774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.004774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.004774 (E_RNA)
where:
Base-Base interactions energy: -363.897
where: short stacking energy: -163.720
Base-Backbone interact. energy: -1.397
local terms energy: -176.710827
where:
bonds (distance) C4'-P energy: -36.920
bonds (distance) P-C4' energy: -28.126
flat angles C4'-P-C4' energy: -34.812
flat angles P-C4'-P energy: -28.313
tors. eta vs tors. theta energy: -48.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -531.508999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.508999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.508999 (E_RNA)
where:
Base-Base interactions energy: -361.483
where: short stacking energy: -171.179
Base-Backbone interact. energy: -1.428
local terms energy: -168.598129
where:
bonds (distance) C4'-P energy: -29.887
bonds (distance) P-C4' energy: -30.333
flat angles C4'-P-C4' energy: -31.903
flat angles P-C4'-P energy: -26.462
tors. eta vs tors. theta energy: -50.013
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: 2
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -523.856672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.856672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.856672 (E_RNA)
where:
Base-Base interactions energy: -358.503
where: short stacking energy: -168.121
Base-Backbone interact. energy: -0.901
local terms energy: -164.452417
where:
bonds (distance) C4'-P energy: -30.647
bonds (distance) P-C4' energy: -30.365
flat angles C4'-P-C4' energy: -33.485
flat angles P-C4'-P energy: -22.364
tors. eta vs tors. theta energy: -47.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -477.420078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.420078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.420078 (E_RNA)
where:
Base-Base interactions energy: -327.422
where: short stacking energy: -135.642
Base-Backbone interact. energy: -0.425
local terms energy: -149.573478
where:
bonds (distance) C4'-P energy: -24.542
bonds (distance) P-C4' energy: -32.199
flat angles C4'-P-C4' energy: -36.730
flat angles P-C4'-P energy: -20.699
tors. eta vs tors. theta energy: -35.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -476.175170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.175170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.175170 (E_RNA)
where:
Base-Base interactions energy: -336.481
where: short stacking energy: -146.194
Base-Backbone interact. energy: -1.693
local terms energy: -138.001156
where:
bonds (distance) C4'-P energy: -22.294
bonds (distance) P-C4' energy: -20.124
flat angles C4'-P-C4' energy: -31.305
flat angles P-C4'-P energy: -25.665
tors. eta vs tors. theta energy: -38.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -345.883932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.883932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.883932 (E_RNA)
where:
Base-Base interactions energy: -218.151
where: short stacking energy: -110.812
Base-Backbone interact. energy: -0.487
local terms energy: -127.246399
where:
bonds (distance) C4'-P energy: -26.625
bonds (distance) P-C4' energy: -23.584
flat angles C4'-P-C4' energy: -35.547
flat angles P-C4'-P energy: -12.768
tors. eta vs tors. theta energy: -28.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -358.116419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.116419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.116419 (E_RNA)
where:
Base-Base interactions energy: -223.782
where: short stacking energy: -104.628
Base-Backbone interact. energy: -0.353
local terms energy: -133.981547
where:
bonds (distance) C4'-P energy: -31.662
bonds (distance) P-C4' energy: -24.738
flat angles C4'-P-C4' energy: -23.678
flat angles P-C4'-P energy: -20.811
tors. eta vs tors. theta energy: -33.093
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: 8, replica: 3
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -320.072085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.072085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.072085 (E_RNA)
where:
Base-Base interactions energy: -205.864
where: short stacking energy: -94.406
Base-Backbone interact. energy: 0.193
local terms energy: -114.400431
where:
bonds (distance) C4'-P energy: -35.344
bonds (distance) P-C4' energy: -24.006
flat angles C4'-P-C4' energy: -23.000
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -20.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -200.340451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.340451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.340451 (E_RNA)
where:
Base-Base interactions energy: -93.351
where: short stacking energy: -59.281
Base-Backbone interact. energy: -0.127
local terms energy: -106.862729
where:
bonds (distance) C4'-P energy: -17.624
bonds (distance) P-C4' energy: -30.829
flat angles C4'-P-C4' energy: -26.918
flat angles P-C4'-P energy: -17.893
tors. eta vs tors. theta energy: -13.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -167.115785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.115785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.115785 (E_RNA)
where:
Base-Base interactions energy: -78.630
where: short stacking energy: -48.606
Base-Backbone interact. energy: -0.761
local terms energy: -87.724932
where:
bonds (distance) C4'-P energy: -22.292
bonds (distance) P-C4' energy: -33.942
flat angles C4'-P-C4' energy: -18.629
flat angles P-C4'-P energy: -13.998
tors. eta vs tors. theta energy: 1.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -526.915575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.915575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.915575 (E_RNA)
where:
Base-Base interactions energy: -360.181
where: short stacking energy: -146.813
Base-Backbone interact. energy: -1.055
local terms energy: -165.679672
where:
bonds (distance) C4'-P energy: -31.759
bonds (distance) P-C4' energy: -28.635
flat angles C4'-P-C4' energy: -33.276
flat angles P-C4'-P energy: -27.470
tors. eta vs tors. theta energy: -44.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -515.941687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.941687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.941687 (E_RNA)
where:
Base-Base interactions energy: -340.509
where: short stacking energy: -162.140
Base-Backbone interact. energy: -0.705
local terms energy: -174.727017
where:
bonds (distance) C4'-P energy: -35.235
bonds (distance) P-C4' energy: -36.637
flat angles C4'-P-C4' energy: -33.830
flat angles P-C4'-P energy: -24.753
tors. eta vs tors. theta energy: -44.272
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: 2
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -515.458890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.458890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.458890 (E_RNA)
where:
Base-Base interactions energy: -353.600
where: short stacking energy: -159.745
Base-Backbone interact. energy: -1.163
local terms energy: -160.695500
where:
bonds (distance) C4'-P energy: -33.508
bonds (distance) P-C4' energy: -30.522
flat angles C4'-P-C4' energy: -30.853
flat angles P-C4'-P energy: -20.417
tors. eta vs tors. theta energy: -45.396
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: 4, replica: 9
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -486.883347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.883347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.883347 (E_RNA)
where:
Base-Base interactions energy: -337.810
where: short stacking energy: -143.342
Base-Backbone interact. energy: 1.925
local terms energy: -150.998736
where:
bonds (distance) C4'-P energy: -32.630
bonds (distance) P-C4' energy: -30.443
flat angles C4'-P-C4' energy: -29.798
flat angles P-C4'-P energy: -23.061
tors. eta vs tors. theta energy: -35.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -452.353065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.353065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.353065 (E_RNA)
where:
Base-Base interactions energy: -307.215
where: short stacking energy: -134.151
Base-Backbone interact. energy: 1.550
local terms energy: -146.687850
where:
bonds (distance) C4'-P energy: -33.576
bonds (distance) P-C4' energy: -25.441
flat angles C4'-P-C4' energy: -33.282
flat angles P-C4'-P energy: -19.946
tors. eta vs tors. theta energy: -34.443
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: 7
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -362.823038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.823038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.823038 (E_RNA)
where:
Base-Base interactions energy: -228.118
where: short stacking energy: -97.027
Base-Backbone interact. energy: -0.516
local terms energy: -134.188964
where:
bonds (distance) C4'-P energy: -27.294
bonds (distance) P-C4' energy: -30.195
flat angles C4'-P-C4' energy: -27.266
flat angles P-C4'-P energy: -26.391
tors. eta vs tors. theta energy: -23.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -345.393679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.393679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.393679 (E_RNA)
where:
Base-Base interactions energy: -217.831
where: short stacking energy: -97.517
Base-Backbone interact. energy: -0.986
local terms energy: -126.576000
where:
bonds (distance) C4'-P energy: -23.422
bonds (distance) P-C4' energy: -20.481
flat angles C4'-P-C4' energy: -34.227
flat angles P-C4'-P energy: -18.866
tors. eta vs tors. theta energy: -29.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -312.358175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.358175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.358175 (E_RNA)
where:
Base-Base interactions energy: -202.445
where: short stacking energy: -97.869
Base-Backbone interact. energy: -0.465
local terms energy: -109.448953
where:
bonds (distance) C4'-P energy: -30.511
bonds (distance) P-C4' energy: -25.606
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -17.384
tors. eta vs tors. theta energy: -20.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -214.728548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.728548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.728548 (E_RNA)
where:
Base-Base interactions energy: -106.923
where: short stacking energy: -62.578
Base-Backbone interact. energy: 0.634
local terms energy: -108.440071
where:
bonds (distance) C4'-P energy: -26.170
bonds (distance) P-C4' energy: -26.933
flat angles C4'-P-C4' energy: -23.747
flat angles P-C4'-P energy: -21.191
tors. eta vs tors. theta energy: -10.400
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: 5
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -135.829366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.829366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.829366 (E_RNA)
where:
Base-Base interactions energy: -45.503
where: short stacking energy: -35.120
Base-Backbone interact. energy: -0.479
local terms energy: -89.847678
where:
bonds (distance) C4'-P energy: -23.050
bonds (distance) P-C4' energy: -25.690
flat angles C4'-P-C4' energy: -27.006
flat angles P-C4'-P energy: -16.059
tors. eta vs tors. theta energy: 1.956
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: 4
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -523.000453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.000453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.000453 (E_RNA)
where:
Base-Base interactions energy: -369.897
where: short stacking energy: -165.767
Base-Backbone interact. energy: -0.146
local terms energy: -152.957842
where:
bonds (distance) C4'-P energy: -32.310
bonds (distance) P-C4' energy: -21.682
flat angles C4'-P-C4' energy: -28.803
flat angles P-C4'-P energy: -20.047
tors. eta vs tors. theta energy: -50.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -528.691224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.691224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.691224 (E_RNA)
where:
Base-Base interactions energy: -361.106
where: short stacking energy: -162.663
Base-Backbone interact. energy: -0.799
local terms energy: -166.786010
where:
bonds (distance) C4'-P energy: -32.998
bonds (distance) P-C4' energy: -26.147
flat angles C4'-P-C4' energy: -32.066
flat angles P-C4'-P energy: -26.175
tors. eta vs tors. theta energy: -49.400
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: 2
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -514.108246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.108246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.108246 (E_RNA)
where:
Base-Base interactions energy: -353.272
where: short stacking energy: -157.301
Base-Backbone interact. energy: -0.514
local terms energy: -160.321943
where:
bonds (distance) C4'-P energy: -28.551
bonds (distance) P-C4' energy: -31.033
flat angles C4'-P-C4' energy: -32.928
flat angles P-C4'-P energy: -24.833
tors. eta vs tors. theta energy: -42.976
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: 9
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -490.204090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.204090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.204090 (E_RNA)
where:
Base-Base interactions energy: -343.632
where: short stacking energy: -139.218
Base-Backbone interact. energy: -1.267
local terms energy: -145.304888
where:
bonds (distance) C4'-P energy: -26.122
bonds (distance) P-C4' energy: -29.066
flat angles C4'-P-C4' energy: -26.199
flat angles P-C4'-P energy: -25.948
tors. eta vs tors. theta energy: -37.969
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: 5, replica: 10
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -457.624900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.624900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.624900 (E_RNA)
where:
Base-Base interactions energy: -311.199
where: short stacking energy: -136.754
Base-Backbone interact. energy: -1.163
local terms energy: -145.262786
where:
bonds (distance) C4'-P energy: -30.362
bonds (distance) P-C4' energy: -37.003
flat angles C4'-P-C4' energy: -26.515
flat angles P-C4'-P energy: -17.673
tors. eta vs tors. theta energy: -33.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -351.401609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.401609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.401609 (E_RNA)
where:
Base-Base interactions energy: -217.392
where: short stacking energy: -109.997
Base-Backbone interact. energy: -0.070
local terms energy: -133.939611
where:
bonds (distance) C4'-P energy: -29.329
bonds (distance) P-C4' energy: -26.875
flat angles C4'-P-C4' energy: -29.514
flat angles P-C4'-P energy: -24.095
tors. eta vs tors. theta energy: -24.126
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: 7
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -338.168770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.168770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.168770 (E_RNA)
where:
Base-Base interactions energy: -205.999
where: short stacking energy: -96.231
Base-Backbone interact. energy: -0.593
local terms energy: -131.577216
where:
bonds (distance) C4'-P energy: -33.907
bonds (distance) P-C4' energy: -29.348
flat angles C4'-P-C4' energy: -31.454
flat angles P-C4'-P energy: -17.917
tors. eta vs tors. theta energy: -18.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -307.987650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.987650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.987650 (E_RNA)
where:
Base-Base interactions energy: -206.972
where: short stacking energy: -100.978
Base-Backbone interact. energy: -0.474
local terms energy: -100.542074
where:
bonds (distance) C4'-P energy: -19.470
bonds (distance) P-C4' energy: -28.665
flat angles C4'-P-C4' energy: -24.341
flat angles P-C4'-P energy: -14.934
tors. eta vs tors. theta energy: -13.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -208.254470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.254470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.254470 (E_RNA)
where:
Base-Base interactions energy: -99.306
where: short stacking energy: -64.745
Base-Backbone interact. energy: -0.254
local terms energy: -108.694626
where:
bonds (distance) C4'-P energy: -25.891
bonds (distance) P-C4' energy: -31.602
flat angles C4'-P-C4' energy: -23.512
flat angles P-C4'-P energy: -15.040
tors. eta vs tors. theta energy: -12.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -143.914449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.914449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.914449 (E_RNA)
where:
Base-Base interactions energy: -61.166
where: short stacking energy: -47.693
Base-Backbone interact. energy: -0.450
local terms energy: -82.297826
where:
bonds (distance) C4'-P energy: -22.082
bonds (distance) P-C4' energy: -25.595
flat angles C4'-P-C4' energy: -20.130
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -4.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -537.149846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.149846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.149846 (E_RNA)
where:
Base-Base interactions energy: -358.024
where: short stacking energy: -176.178
Base-Backbone interact. energy: -0.025
local terms energy: -179.100556
where:
bonds (distance) C4'-P energy: -32.599
bonds (distance) P-C4' energy: -34.421
flat angles C4'-P-C4' energy: -37.350
flat angles P-C4'-P energy: -23.100
tors. eta vs tors. theta energy: -51.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -518.814543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.814543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.814543 (E_RNA)
where:
Base-Base interactions energy: -341.594
where: short stacking energy: -142.581
Base-Backbone interact. energy: -0.612
local terms energy: -176.609083
where:
bonds (distance) C4'-P energy: -34.511
bonds (distance) P-C4' energy: -33.266
flat angles C4'-P-C4' energy: -33.879
flat angles P-C4'-P energy: -24.393
tors. eta vs tors. theta energy: -50.560
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: 9
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -494.721235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.721235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.721235 (E_RNA)
where:
Base-Base interactions energy: -340.494
where: short stacking energy: -148.100
Base-Backbone interact. energy: -1.226
local terms energy: -153.000741
where:
bonds (distance) C4'-P energy: -33.360
bonds (distance) P-C4' energy: -30.504
flat angles C4'-P-C4' energy: -27.888
flat angles P-C4'-P energy: -22.194
tors. eta vs tors. theta energy: -39.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -501.957791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.957791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.957791 (E_RNA)
where:
Base-Base interactions energy: -351.774
where: short stacking energy: -158.149
Base-Backbone interact. energy: -1.304
local terms energy: -148.879557
where:
bonds (distance) C4'-P energy: -25.798
bonds (distance) P-C4' energy: -25.067
flat angles C4'-P-C4' energy: -33.941
flat angles P-C4'-P energy: -19.263
tors. eta vs tors. theta energy: -44.811
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: 10
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -468.690857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.690857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.690857 (E_RNA)
where:
Base-Base interactions energy: -322.000
where: short stacking energy: -140.887
Base-Backbone interact. energy: -0.361
local terms energy: -146.330236
where:
bonds (distance) C4'-P energy: -28.698
bonds (distance) P-C4' energy: -27.924
flat angles C4'-P-C4' energy: -36.988
flat angles P-C4'-P energy: -19.305
tors. eta vs tors. theta energy: -33.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -360.480182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.480182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.480182 (E_RNA)
where:
Base-Base interactions energy: -218.389
where: short stacking energy: -111.484
Base-Backbone interact. energy: -0.377
local terms energy: -141.714099
where:
bonds (distance) C4'-P energy: -30.513
bonds (distance) P-C4' energy: -23.996
flat angles C4'-P-C4' energy: -34.550
flat angles P-C4'-P energy: -20.362
tors. eta vs tors. theta energy: -32.292
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: 7, replica: 3
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -339.982337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.982337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.982337 (E_RNA)
where:
Base-Base interactions energy: -213.234
where: short stacking energy: -94.691
Base-Backbone interact. energy: -0.252
local terms energy: -126.496178
where:
bonds (distance) C4'-P energy: -26.400
bonds (distance) P-C4' energy: -28.725
flat angles C4'-P-C4' energy: -25.488
flat angles P-C4'-P energy: -22.864
tors. eta vs tors. theta energy: -23.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -315.782814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.782814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.782814 (E_RNA)
where:
Base-Base interactions energy: -199.461
where: short stacking energy: -96.586
Base-Backbone interact. energy: -0.732
local terms energy: -115.590043
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -25.705
flat angles C4'-P-C4' energy: -29.957
flat angles P-C4'-P energy: -21.107
tors. eta vs tors. theta energy: -23.697
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: 9, replica: 5
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -165.555427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.555427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.555427 (E_RNA)
where:
Base-Base interactions energy: -70.743
where: short stacking energy: -47.618
Base-Backbone interact. energy: 0.966
local terms energy: -95.778354
where:
bonds (distance) C4'-P energy: -21.810
bonds (distance) P-C4' energy: -33.410
flat angles C4'-P-C4' energy: -24.609
flat angles P-C4'-P energy: -14.700
tors. eta vs tors. theta energy: -1.249
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: 8
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -155.684793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.684793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.684793 (E_RNA)
where:
Base-Base interactions energy: -53.929
where: short stacking energy: -44.959
Base-Backbone interact. energy: -2.505
local terms energy: -99.251785
where:
bonds (distance) C4'-P energy: -31.035
bonds (distance) P-C4' energy: -32.798
flat angles C4'-P-C4' energy: -22.991
flat angles P-C4'-P energy: -10.976
tors. eta vs tors. theta energy: -1.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -549.929803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.929803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.929803 (E_RNA)
where:
Base-Base interactions energy: -370.969
where: short stacking energy: -169.011
Base-Backbone interact. energy: -0.400
local terms energy: -178.560799
where:
bonds (distance) C4'-P energy: -35.102
bonds (distance) P-C4' energy: -28.608
flat angles C4'-P-C4' energy: -34.449
flat angles P-C4'-P energy: -31.089
tors. eta vs tors. theta energy: -49.313
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: 2, replica: 4
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -511.844136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.844136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.844136 (E_RNA)
where:
Base-Base interactions energy: -347.408
where: short stacking energy: -168.535
Base-Backbone interact. energy: -0.185
local terms energy: -164.251199
where:
bonds (distance) C4'-P energy: -30.466
bonds (distance) P-C4' energy: -33.985
flat angles C4'-P-C4' energy: -28.676
flat angles P-C4'-P energy: -26.317
tors. eta vs tors. theta energy: -44.808
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: 9
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -506.428151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.428151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.428151 (E_RNA)
where:
Base-Base interactions energy: -355.399
where: short stacking energy: -155.612
Base-Backbone interact. energy: -1.409
local terms energy: -149.620146
where:
bonds (distance) C4'-P energy: -23.414
bonds (distance) P-C4' energy: -34.288
flat angles C4'-P-C4' energy: -35.118
flat angles P-C4'-P energy: -18.459
tors. eta vs tors. theta energy: -38.341
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: 2
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -501.625262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.625262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.625262 (E_RNA)
where:
Base-Base interactions energy: -343.944
where: short stacking energy: -149.875
Base-Backbone interact. energy: 2.112
local terms energy: -159.792740
where:
bonds (distance) C4'-P energy: -22.322
bonds (distance) P-C4' energy: -35.417
flat angles C4'-P-C4' energy: -32.198
flat angles P-C4'-P energy: -25.122
tors. eta vs tors. theta energy: -44.735
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: 10
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -466.412106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.412106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.412106 (E_RNA)
where:
Base-Base interactions energy: -324.640
where: short stacking energy: -140.696
Base-Backbone interact. energy: -1.544
local terms energy: -140.227640
where:
bonds (distance) C4'-P energy: -31.087
bonds (distance) P-C4' energy: -28.170
flat angles C4'-P-C4' energy: -28.906
flat angles P-C4'-P energy: -18.449
tors. eta vs tors. theta energy: -33.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -358.235130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.235130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.235130 (E_RNA)
where:
Base-Base interactions energy: -233.522
where: short stacking energy: -108.286
Base-Backbone interact. energy: -0.485
local terms energy: -124.228251
where:
bonds (distance) C4'-P energy: -23.110
bonds (distance) P-C4' energy: -29.209
flat angles C4'-P-C4' energy: -29.453
flat angles P-C4'-P energy: -18.763
tors. eta vs tors. theta energy: -23.693
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: 483
Temperature: 1.200000
Total energy: -321.409238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.409238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.409238 (E_RNA)
where:
Base-Base interactions energy: -194.561
where: short stacking energy: -96.849
Base-Backbone interact. energy: -0.503
local terms energy: -126.345388
where:
bonds (distance) C4'-P energy: -20.294
bonds (distance) P-C4' energy: -31.846
flat angles C4'-P-C4' energy: -34.400
flat angles P-C4'-P energy: -17.574
tors. eta vs tors. theta energy: -22.231
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: 483
Temperature: 1.250000
Total energy: -338.541033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.541033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.541033 (E_RNA)
where:
Base-Base interactions energy: -208.594
where: short stacking energy: -106.799
Base-Backbone interact. energy: 0.687
local terms energy: -130.634062
where:
bonds (distance) C4'-P energy: -24.309
bonds (distance) P-C4' energy: -29.223
flat angles C4'-P-C4' energy: -27.230
flat angles P-C4'-P energy: -19.044
tors. eta vs tors. theta energy: -30.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -161.838642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.838642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.838642 (E_RNA)
where:
Base-Base interactions energy: -81.813
where: short stacking energy: -46.239
Base-Backbone interact. energy: 1.014
local terms energy: -81.038754
where:
bonds (distance) C4'-P energy: -20.486
bonds (distance) P-C4' energy: -23.085
flat angles C4'-P-C4' energy: -25.967
flat angles P-C4'-P energy: -14.121
tors. eta vs tors. theta energy: 2.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -152.434290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.434290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.434290 (E_RNA)
where:
Base-Base interactions energy: -60.833
where: short stacking energy: -52.927
Base-Backbone interact. energy: -0.045
local terms energy: -91.555863
where:
bonds (distance) C4'-P energy: -23.380
bonds (distance) P-C4' energy: -18.281
flat angles C4'-P-C4' energy: -26.258
flat angles P-C4'-P energy: -21.889
tors. eta vs tors. theta energy: -1.748
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: 6
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -551.067605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.067605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.067605 (E_RNA)
where:
Base-Base interactions energy: -380.041
where: short stacking energy: -171.439
Base-Backbone interact. energy: -0.329
local terms energy: -170.697221
where:
bonds (distance) C4'-P energy: -26.227
bonds (distance) P-C4' energy: -28.539
flat angles C4'-P-C4' energy: -35.808
flat angles P-C4'-P energy: -28.070
tors. eta vs tors. theta energy: -52.054
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: 484
Temperature: 0.950000
Total energy: -510.415265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.415265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.415265 (E_RNA)
where:
Base-Base interactions energy: -348.215
where: short stacking energy: -158.355
Base-Backbone interact. energy: -0.594
local terms energy: -161.605765
where:
bonds (distance) C4'-P energy: -34.823
bonds (distance) P-C4' energy: -29.758
flat angles C4'-P-C4' energy: -28.538
flat angles P-C4'-P energy: -20.368
tors. eta vs tors. theta energy: -48.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -518.559936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.559936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.559936 (E_RNA)
where:
Base-Base interactions energy: -358.324
where: short stacking energy: -159.112
Base-Backbone interact. energy: -0.742
local terms energy: -159.494138
where:
bonds (distance) C4'-P energy: -28.793
bonds (distance) P-C4' energy: -25.468
flat angles C4'-P-C4' energy: -38.936
flat angles P-C4'-P energy: -21.312
tors. eta vs tors. theta energy: -44.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -499.285047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.285047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.285047 (E_RNA)
where:
Base-Base interactions energy: -336.497
where: short stacking energy: -150.765
Base-Backbone interact. energy: 0.455
local terms energy: -163.242271
where:
bonds (distance) C4'-P energy: -33.902
bonds (distance) P-C4' energy: -34.083
flat angles C4'-P-C4' energy: -35.800
flat angles P-C4'-P energy: -20.391
tors. eta vs tors. theta energy: -39.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -467.380287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.380287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.380287 (E_RNA)
where:
Base-Base interactions energy: -318.029
where: short stacking energy: -143.112
Base-Backbone interact. energy: -0.358
local terms energy: -148.993948
where:
bonds (distance) C4'-P energy: -27.104
bonds (distance) P-C4' energy: -31.014
flat angles C4'-P-C4' energy: -32.579
flat angles P-C4'-P energy: -19.837
tors. eta vs tors. theta energy: -38.460
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: 484
Temperature: 1.150000
Total energy: -345.799490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.799490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.799490 (E_RNA)
where:
Base-Base interactions energy: -224.168
where: short stacking energy: -99.028
Base-Backbone interact. energy: -0.318
local terms energy: -121.313436
where:
bonds (distance) C4'-P energy: -17.683
bonds (distance) P-C4' energy: -35.695
flat angles C4'-P-C4' energy: -23.849
flat angles P-C4'-P energy: -21.590
tors. eta vs tors. theta energy: -22.497
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: 7
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -341.163766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.163766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.163766 (E_RNA)
where:
Base-Base interactions energy: -216.468
where: short stacking energy: -106.703
Base-Backbone interact. energy: -0.233
local terms energy: -124.462579
where:
bonds (distance) C4'-P energy: -24.756
bonds (distance) P-C4' energy: -29.328
flat angles C4'-P-C4' energy: -28.684
flat angles P-C4'-P energy: -16.515
tors. eta vs tors. theta energy: -25.179
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: 1
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -320.845604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.845604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.845604 (E_RNA)
where:
Base-Base interactions energy: -205.596
where: short stacking energy: -114.200
Base-Backbone interact. energy: -0.007
local terms energy: -115.242911
where:
bonds (distance) C4'-P energy: -20.856
bonds (distance) P-C4' energy: -24.825
flat angles C4'-P-C4' energy: -24.808
flat angles P-C4'-P energy: -20.959
tors. eta vs tors. theta energy: -23.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -188.953817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.953817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.953817 (E_RNA)
where:
Base-Base interactions energy: -101.627
where: short stacking energy: -59.729
Base-Backbone interact. energy: 0.626
local terms energy: -87.952749
where:
bonds (distance) C4'-P energy: -24.552
bonds (distance) P-C4' energy: -23.520
flat angles C4'-P-C4' energy: -22.162
flat angles P-C4'-P energy: -13.339
tors. eta vs tors. theta energy: -4.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -169.649639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.649639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.649639 (E_RNA)
where:
Base-Base interactions energy: -67.431
where: short stacking energy: -54.849
Base-Backbone interact. energy: -0.740
local terms energy: -101.477814
where:
bonds (distance) C4'-P energy: -27.829
bonds (distance) P-C4' energy: -27.890
flat angles C4'-P-C4' energy: -26.626
flat angles P-C4'-P energy: -14.978
tors. eta vs tors. theta energy: -4.154
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: 1, replica: 6
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -534.162529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.162529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.162529 (E_RNA)
where:
Base-Base interactions energy: -360.724
where: short stacking energy: -167.108
Base-Backbone interact. energy: -0.743
local terms energy: -172.695678
where:
bonds (distance) C4'-P energy: -28.879
bonds (distance) P-C4' energy: -28.097
flat angles C4'-P-C4' energy: -36.555
flat angles P-C4'-P energy: -28.492
tors. eta vs tors. theta energy: -50.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -524.821387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.821387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.821387 (E_RNA)
where:
Base-Base interactions energy: -369.160
where: short stacking energy: -160.568
Base-Backbone interact. energy: -0.735
local terms energy: -154.926442
where:
bonds (distance) C4'-P energy: -25.508
bonds (distance) P-C4' energy: -27.248
flat angles C4'-P-C4' energy: -31.430
flat angles P-C4'-P energy: -24.531
tors. eta vs tors. theta energy: -46.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -488.829921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.829921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.829921 (E_RNA)
where:
Base-Base interactions energy: -337.883
where: short stacking energy: -155.154
Base-Backbone interact. energy: -1.167
local terms energy: -149.779226
where:
bonds (distance) C4'-P energy: -29.854
bonds (distance) P-C4' energy: -21.276
flat angles C4'-P-C4' energy: -31.513
flat angles P-C4'-P energy: -25.981
tors. eta vs tors. theta energy: -41.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -488.438410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.438410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.438410 (E_RNA)
where:
Base-Base interactions energy: -326.562
where: short stacking energy: -143.175
Base-Backbone interact. energy: -0.782
local terms energy: -161.094458
where:
bonds (distance) C4'-P energy: -28.466
bonds (distance) P-C4' energy: -37.195
flat angles C4'-P-C4' energy: -34.171
flat angles P-C4'-P energy: -23.544
tors. eta vs tors. theta energy: -37.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -458.476937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.476937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.476937 (E_RNA)
where:
Base-Base interactions energy: -313.589
where: short stacking energy: -141.008
Base-Backbone interact. energy: -1.847
local terms energy: -143.040934
where:
bonds (distance) C4'-P energy: -30.565
bonds (distance) P-C4' energy: -30.859
flat angles C4'-P-C4' energy: -25.238
flat angles P-C4'-P energy: -19.673
tors. eta vs tors. theta energy: -36.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -337.442059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.442059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.442059 (E_RNA)
where:
Base-Base interactions energy: -198.221
where: short stacking energy: -107.224
Base-Backbone interact. energy: 0.282
local terms energy: -139.503409
where:
bonds (distance) C4'-P energy: -27.457
bonds (distance) P-C4' energy: -34.661
flat angles C4'-P-C4' energy: -31.475
flat angles P-C4'-P energy: -25.091
tors. eta vs tors. theta energy: -20.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -332.839431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.839431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.839431 (E_RNA)
where:
Base-Base interactions energy: -205.538
where: short stacking energy: -102.752
Base-Backbone interact. energy: -0.374
local terms energy: -126.926811
where:
bonds (distance) C4'-P energy: -31.056
bonds (distance) P-C4' energy: -27.953
flat angles C4'-P-C4' energy: -31.171
flat angles P-C4'-P energy: -16.645
tors. eta vs tors. theta energy: -20.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -323.305302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.305302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.305302 (E_RNA)
where:
Base-Base interactions energy: -189.873
where: short stacking energy: -106.236
Base-Backbone interact. energy: -0.289
local terms energy: -133.143270
where:
bonds (distance) C4'-P energy: -26.414
bonds (distance) P-C4' energy: -32.195
flat angles C4'-P-C4' energy: -26.632
flat angles P-C4'-P energy: -22.701
tors. eta vs tors. theta energy: -25.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -196.392606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.392606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.392606 (E_RNA)
where:
Base-Base interactions energy: -101.198
where: short stacking energy: -55.871
Base-Backbone interact. energy: -0.233
local terms energy: -94.961864
where:
bonds (distance) C4'-P energy: -25.053
bonds (distance) P-C4' energy: -28.452
flat angles C4'-P-C4' energy: -24.277
flat angles P-C4'-P energy: -13.583
tors. eta vs tors. theta energy: -3.597
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: 10, replica: 8
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -158.328239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.328239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.328239 (E_RNA)
where:
Base-Base interactions energy: -62.735
where: short stacking energy: -57.848
Base-Backbone interact. energy: -0.298
local terms energy: -95.294515
where:
bonds (distance) C4'-P energy: -23.560
bonds (distance) P-C4' energy: -32.488
flat angles C4'-P-C4' energy: -21.220
flat angles P-C4'-P energy: -13.142
tors. eta vs tors. theta energy: -4.885
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: 6
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -538.862988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.862988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.862988 (E_RNA)
where:
Base-Base interactions energy: -363.737
where: short stacking energy: -164.492
Base-Backbone interact. energy: -0.350
local terms energy: -174.775706
where:
bonds (distance) C4'-P energy: -33.838
bonds (distance) P-C4' energy: -31.476
flat angles C4'-P-C4' energy: -36.992
flat angles P-C4'-P energy: -28.781
tors. eta vs tors. theta energy: -43.689
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: 2, replica: 2
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -532.816733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.816733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.816733 (E_RNA)
where:
Base-Base interactions energy: -364.293
where: short stacking energy: -154.773
Base-Backbone interact. energy: -0.335
local terms energy: -168.188768
where:
bonds (distance) C4'-P energy: -32.304
bonds (distance) P-C4' energy: -32.629
flat angles C4'-P-C4' energy: -36.274
flat angles P-C4'-P energy: -26.122
tors. eta vs tors. theta energy: -40.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -496.126427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.126427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.126427 (E_RNA)
where:
Base-Base interactions energy: -337.448
where: short stacking energy: -152.248
Base-Backbone interact. energy: -0.090
local terms energy: -158.588185
where:
bonds (distance) C4'-P energy: -29.615
bonds (distance) P-C4' energy: -33.472
flat angles C4'-P-C4' energy: -36.578
flat angles P-C4'-P energy: -16.683
tors. eta vs tors. theta energy: -42.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -497.613915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.613915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.613915 (E_RNA)
where:
Base-Base interactions energy: -341.927
where: short stacking energy: -142.750
Base-Backbone interact. energy: 0.468
local terms energy: -156.155183
where:
bonds (distance) C4'-P energy: -32.814
bonds (distance) P-C4' energy: -28.535
flat angles C4'-P-C4' energy: -31.155
flat angles P-C4'-P energy: -24.769
tors. eta vs tors. theta energy: -38.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -458.683492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.683492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.683492 (E_RNA)
where:
Base-Base interactions energy: -305.948
where: short stacking energy: -143.607
Base-Backbone interact. energy: -0.540
local terms energy: -152.195241
where:
bonds (distance) C4'-P energy: -31.718
bonds (distance) P-C4' energy: -30.940
flat angles C4'-P-C4' energy: -28.442
flat angles P-C4'-P energy: -19.500
tors. eta vs tors. theta energy: -41.596
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: 486
Temperature: 1.150000
Total energy: -348.830492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.830492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.830492 (E_RNA)
where:
Base-Base interactions energy: -221.767
where: short stacking energy: -107.712
Base-Backbone interact. energy: -0.876
local terms energy: -126.187293
where:
bonds (distance) C4'-P energy: -28.049
bonds (distance) P-C4' energy: -29.305
flat angles C4'-P-C4' energy: -31.932
flat angles P-C4'-P energy: -20.277
tors. eta vs tors. theta energy: -16.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -330.942685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.942685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.942685 (E_RNA)
where:
Base-Base interactions energy: -215.209
where: short stacking energy: -113.424
Base-Backbone interact. energy: -0.203
local terms energy: -115.530825
where:
bonds (distance) C4'-P energy: -20.409
bonds (distance) P-C4' energy: -30.697
flat angles C4'-P-C4' energy: -26.333
flat angles P-C4'-P energy: -16.861
tors. eta vs tors. theta energy: -21.230
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: 3
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -302.992371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.992371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.992371 (E_RNA)
where:
Base-Base interactions energy: -177.019
where: short stacking energy: -87.318
Base-Backbone interact. energy: -0.518
local terms energy: -125.455771
where:
bonds (distance) C4'-P energy: -32.172
bonds (distance) P-C4' energy: -29.777
flat angles C4'-P-C4' energy: -28.421
flat angles P-C4'-P energy: -18.036
tors. eta vs tors. theta energy: -17.049
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: 9, replica: 5
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -211.244520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.244520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.244520 (E_RNA)
where:
Base-Base interactions energy: -106.319
where: short stacking energy: -67.857
Base-Backbone interact. energy: -0.356
local terms energy: -104.569310
where:
bonds (distance) C4'-P energy: -21.027
bonds (distance) P-C4' energy: -25.404
flat angles C4'-P-C4' energy: -25.850
flat angles P-C4'-P energy: -18.412
tors. eta vs tors. theta energy: -13.876
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: 10, replica: 8
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -155.902851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.902851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.902851 (E_RNA)
where:
Base-Base interactions energy: -48.060
where: short stacking energy: -36.689
Base-Backbone interact. energy: 0.418
local terms energy: -108.260580
where:
bonds (distance) C4'-P energy: -33.446
bonds (distance) P-C4' energy: -27.987
flat angles C4'-P-C4' energy: -26.264
flat angles P-C4'-P energy: -22.461
tors. eta vs tors. theta energy: 1.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -535.987879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.987879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.987879 (E_RNA)
where:
Base-Base interactions energy: -366.563
where: short stacking energy: -168.039
Base-Backbone interact. energy: -0.009
local terms energy: -169.416254
where:
bonds (distance) C4'-P energy: -26.950
bonds (distance) P-C4' energy: -34.756
flat angles C4'-P-C4' energy: -38.158
flat angles P-C4'-P energy: -22.427
tors. eta vs tors. theta energy: -47.125
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: 2
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -531.692415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.692415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.692415 (E_RNA)
where:
Base-Base interactions energy: -362.368
where: short stacking energy: -171.563
Base-Backbone interact. energy: -0.547
local terms energy: -168.777082
where:
bonds (distance) C4'-P energy: -32.465
bonds (distance) P-C4' energy: -27.412
flat angles C4'-P-C4' energy: -38.609
flat angles P-C4'-P energy: -24.315
tors. eta vs tors. theta energy: -45.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -500.773431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.773431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.773431 (E_RNA)
where:
Base-Base interactions energy: -340.202
where: short stacking energy: -156.476
Base-Backbone interact. energy: -0.730
local terms energy: -159.841182
where:
bonds (distance) C4'-P energy: -29.924
bonds (distance) P-C4' energy: -30.978
flat angles C4'-P-C4' energy: -36.181
flat angles P-C4'-P energy: -20.346
tors. eta vs tors. theta energy: -42.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -503.970016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.970016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.970016 (E_RNA)
where:
Base-Base interactions energy: -357.001
where: short stacking energy: -164.883
Base-Backbone interact. energy: -0.654
local terms energy: -146.314589
where:
bonds (distance) C4'-P energy: -22.456
bonds (distance) P-C4' energy: -30.774
flat angles C4'-P-C4' energy: -30.135
flat angles P-C4'-P energy: -18.168
tors. eta vs tors. theta energy: -44.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -483.734531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.734531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.734531 (E_RNA)
where:
Base-Base interactions energy: -339.096
where: short stacking energy: -142.511
Base-Backbone interact. energy: -0.256
local terms energy: -144.382687
where:
bonds (distance) C4'-P energy: -24.643
bonds (distance) P-C4' energy: -24.929
flat angles C4'-P-C4' energy: -31.513
flat angles P-C4'-P energy: -21.589
tors. eta vs tors. theta energy: -41.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -376.056806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.056806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.056806 (E_RNA)
where:
Base-Base interactions energy: -247.075
where: short stacking energy: -118.317
Base-Backbone interact. energy: -0.944
local terms energy: -128.037737
where:
bonds (distance) C4'-P energy: -31.109
bonds (distance) P-C4' energy: -22.956
flat angles C4'-P-C4' energy: -30.876
flat angles P-C4'-P energy: -18.631
tors. eta vs tors. theta energy: -24.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -335.111365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.111365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.111365 (E_RNA)
where:
Base-Base interactions energy: -208.753
where: short stacking energy: -102.112
Base-Backbone interact. energy: -0.309
local terms energy: -126.048993
where:
bonds (distance) C4'-P energy: -29.507
bonds (distance) P-C4' energy: -24.257
flat angles C4'-P-C4' energy: -30.205
flat angles P-C4'-P energy: -16.418
tors. eta vs tors. theta energy: -25.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -314.924691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.924691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.924691 (E_RNA)
where:
Base-Base interactions energy: -183.603
where: short stacking energy: -83.028
Base-Backbone interact. energy: 0.563
local terms energy: -131.884302
where:
bonds (distance) C4'-P energy: -22.467
bonds (distance) P-C4' energy: -34.541
flat angles C4'-P-C4' energy: -35.196
flat angles P-C4'-P energy: -16.598
tors. eta vs tors. theta energy: -23.083
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: 5
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -155.972904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.972904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.972904 (E_RNA)
where:
Base-Base interactions energy: -57.199
where: short stacking energy: -48.400
Base-Backbone interact. energy: 0.666
local terms energy: -99.439288
where:
bonds (distance) C4'-P energy: -30.160
bonds (distance) P-C4' energy: -28.937
flat angles C4'-P-C4' energy: -26.930
flat angles P-C4'-P energy: -16.309
tors. eta vs tors. theta energy: 2.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -181.211879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.211879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.211879 (E_RNA)
where:
Base-Base interactions energy: -93.338
where: short stacking energy: -57.263
Base-Backbone interact. energy: 5.052
local terms energy: -92.925816
where:
bonds (distance) C4'-P energy: -16.871
bonds (distance) P-C4' energy: -27.805
flat angles C4'-P-C4' energy: -29.413
flat angles P-C4'-P energy: -16.848
tors. eta vs tors. theta energy: -1.988
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: 6
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -537.147333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.147333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.147333 (E_RNA)
where:
Base-Base interactions energy: -368.166
where: short stacking energy: -162.138
Base-Backbone interact. energy: -0.043
local terms energy: -168.938870
where:
bonds (distance) C4'-P energy: -30.363
bonds (distance) P-C4' energy: -29.895
flat angles C4'-P-C4' energy: -31.951
flat angles P-C4'-P energy: -25.818
tors. eta vs tors. theta energy: -50.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -538.737273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.737273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.737273 (E_RNA)
where:
Base-Base interactions energy: -362.056
where: short stacking energy: -156.868
Base-Backbone interact. energy: -2.585
local terms energy: -174.095773
where:
bonds (distance) C4'-P energy: -34.924
bonds (distance) P-C4' energy: -36.000
flat angles C4'-P-C4' energy: -32.452
flat angles P-C4'-P energy: -27.056
tors. eta vs tors. theta energy: -43.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -534.692180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.692180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.692180 (E_RNA)
where:
Base-Base interactions energy: -374.229
where: short stacking energy: -157.402
Base-Backbone interact. energy: -3.084
local terms energy: -157.379287
where:
bonds (distance) C4'-P energy: -29.902
bonds (distance) P-C4' energy: -30.535
flat angles C4'-P-C4' energy: -32.075
flat angles P-C4'-P energy: -22.972
tors. eta vs tors. theta energy: -41.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -506.481345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.481345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.481345 (E_RNA)
where:
Base-Base interactions energy: -358.231
where: short stacking energy: -161.739
Base-Backbone interact. energy: -0.063
local terms energy: -148.187480
where:
bonds (distance) C4'-P energy: -23.367
bonds (distance) P-C4' energy: -25.618
flat angles C4'-P-C4' energy: -31.683
flat angles P-C4'-P energy: -20.671
tors. eta vs tors. theta energy: -46.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -472.203225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.203225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.203225 (E_RNA)
where:
Base-Base interactions energy: -325.883
where: short stacking energy: -144.193
Base-Backbone interact. energy: -0.942
local terms energy: -145.378004
where:
bonds (distance) C4'-P energy: -24.550
bonds (distance) P-C4' energy: -31.584
flat angles C4'-P-C4' energy: -29.993
flat angles P-C4'-P energy: -23.784
tors. eta vs tors. theta energy: -35.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -370.427409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.427409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.427409 (E_RNA)
where:
Base-Base interactions energy: -230.630
where: short stacking energy: -116.486
Base-Backbone interact. energy: -0.591
local terms energy: -139.206190
where:
bonds (distance) C4'-P energy: -33.132
bonds (distance) P-C4' energy: -27.811
flat angles C4'-P-C4' energy: -32.791
flat angles P-C4'-P energy: -20.716
tors. eta vs tors. theta energy: -24.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -334.374469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.374469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.374469 (E_RNA)
where:
Base-Base interactions energy: -203.961
where: short stacking energy: -95.766
Base-Backbone interact. energy: -1.154
local terms energy: -129.259605
where:
bonds (distance) C4'-P energy: -30.768
bonds (distance) P-C4' energy: -29.610
flat angles C4'-P-C4' energy: -32.036
flat angles P-C4'-P energy: -18.060
tors. eta vs tors. theta energy: -18.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -328.140266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.140266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.140266 (E_RNA)
where:
Base-Base interactions energy: -201.564
where: short stacking energy: -95.025
Base-Backbone interact. energy: -0.750
local terms energy: -125.826560
where:
bonds (distance) C4'-P energy: -28.744
bonds (distance) P-C4' energy: -30.154
flat angles C4'-P-C4' energy: -32.640
flat angles P-C4'-P energy: -20.204
tors. eta vs tors. theta energy: -14.085
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: 5
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -169.235709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.235709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.235709 (E_RNA)
where:
Base-Base interactions energy: -70.637
where: short stacking energy: -62.312
Base-Backbone interact. energy: -0.571
local terms energy: -98.027792
where:
bonds (distance) C4'-P energy: -32.224
bonds (distance) P-C4' energy: -24.213
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -19.547
tors. eta vs tors. theta energy: -5.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -157.905347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.905347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.905347 (E_RNA)
where:
Base-Base interactions energy: -62.951
where: short stacking energy: -38.700
Base-Backbone interact. energy: -1.122
local terms energy: -93.831708
where:
bonds (distance) C4'-P energy: -25.693
bonds (distance) P-C4' energy: -27.066
flat angles C4'-P-C4' energy: -26.701
flat angles P-C4'-P energy: -14.835
tors. eta vs tors. theta energy: 0.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -543.876324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.876324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.876324 (E_RNA)
where:
Base-Base interactions energy: -381.327
where: short stacking energy: -168.708
Base-Backbone interact. energy: -0.320
local terms energy: -162.229143
where:
bonds (distance) C4'-P energy: -29.628
bonds (distance) P-C4' energy: -26.795
flat angles C4'-P-C4' energy: -33.057
flat angles P-C4'-P energy: -26.413
tors. eta vs tors. theta energy: -46.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -531.287768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.287768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.287768 (E_RNA)
where:
Base-Base interactions energy: -363.533
where: short stacking energy: -151.243
Base-Backbone interact. energy: -2.024
local terms energy: -165.730873
where:
bonds (distance) C4'-P energy: -30.535
bonds (distance) P-C4' energy: -36.525
flat angles C4'-P-C4' energy: -34.773
flat angles P-C4'-P energy: -24.262
tors. eta vs tors. theta energy: -39.637
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: 2
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -522.118543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.118543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.118543 (E_RNA)
where:
Base-Base interactions energy: -365.687
where: short stacking energy: -158.550
Base-Backbone interact. energy: -0.404
local terms energy: -156.027285
where:
bonds (distance) C4'-P energy: -26.295
bonds (distance) P-C4' energy: -30.190
flat angles C4'-P-C4' energy: -31.258
flat angles P-C4'-P energy: -23.876
tors. eta vs tors. theta energy: -44.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -500.075396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.075396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.075396 (E_RNA)
where:
Base-Base interactions energy: -345.674
where: short stacking energy: -153.903
Base-Backbone interact. energy: -0.108
local terms energy: -154.293663
where:
bonds (distance) C4'-P energy: -25.427
bonds (distance) P-C4' energy: -32.403
flat angles C4'-P-C4' energy: -33.057
flat angles P-C4'-P energy: -20.013
tors. eta vs tors. theta energy: -43.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -467.119993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.119993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.119993 (E_RNA)
where:
Base-Base interactions energy: -324.864
where: short stacking energy: -136.163
Base-Backbone interact. energy: 1.326
local terms energy: -143.581883
where:
bonds (distance) C4'-P energy: -18.407
bonds (distance) P-C4' energy: -31.501
flat angles C4'-P-C4' energy: -34.098
flat angles P-C4'-P energy: -19.958
tors. eta vs tors. theta energy: -39.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -360.883540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.883540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.883540 (E_RNA)
where:
Base-Base interactions energy: -219.377
where: short stacking energy: -118.956
Base-Backbone interact. energy: -0.112
local terms energy: -141.394423
where:
bonds (distance) C4'-P energy: -26.497
bonds (distance) P-C4' energy: -29.283
flat angles C4'-P-C4' energy: -31.352
flat angles P-C4'-P energy: -21.438
tors. eta vs tors. theta energy: -32.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -340.719505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.719505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.719505 (E_RNA)
where:
Base-Base interactions energy: -208.830
where: short stacking energy: -114.574
Base-Backbone interact. energy: 2.920
local terms energy: -134.809540
where:
bonds (distance) C4'-P energy: -21.685
bonds (distance) P-C4' energy: -21.697
flat angles C4'-P-C4' energy: -35.298
flat angles P-C4'-P energy: -22.512
tors. eta vs tors. theta energy: -33.618
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: 8, replica: 1
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -330.520160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.520160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.520160 (E_RNA)
where:
Base-Base interactions energy: -203.232
where: short stacking energy: -101.395
Base-Backbone interact. energy: -1.337
local terms energy: -125.951406
where:
bonds (distance) C4'-P energy: -29.840
bonds (distance) P-C4' energy: -28.613
flat angles C4'-P-C4' energy: -27.785
flat angles P-C4'-P energy: -14.390
tors. eta vs tors. theta energy: -25.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -178.265216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.265216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.265216 (E_RNA)
where:
Base-Base interactions energy: -70.674
where: short stacking energy: -54.636
Base-Backbone interact. energy: 0.810
local terms energy: -108.401944
where:
bonds (distance) C4'-P energy: -24.047
bonds (distance) P-C4' energy: -32.547
flat angles C4'-P-C4' energy: -31.478
flat angles P-C4'-P energy: -19.506
tors. eta vs tors. theta energy: -0.824
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: 8
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -158.831767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.831767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.831767 (E_RNA)
where:
Base-Base interactions energy: -55.481
where: short stacking energy: -55.481
Base-Backbone interact. energy: 1.315
local terms energy: -104.666029
where:
bonds (distance) C4'-P energy: -29.082
bonds (distance) P-C4' energy: -27.966
flat angles C4'-P-C4' energy: -24.150
flat angles P-C4'-P energy: -16.736
tors. eta vs tors. theta energy: -6.731
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: 1, replica: 6
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -538.749515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.749515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.749515 (E_RNA)
where:
Base-Base interactions energy: -363.060
where: short stacking energy: -155.817
Base-Backbone interact. energy: -0.719
local terms energy: -174.971151
where:
bonds (distance) C4'-P energy: -29.867
bonds (distance) P-C4' energy: -34.538
flat angles C4'-P-C4' energy: -38.039
flat angles P-C4'-P energy: -27.506
tors. eta vs tors. theta energy: -45.021
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: 2, replica: 9
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -525.539685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.539685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.539685 (E_RNA)
where:
Base-Base interactions energy: -368.834
where: short stacking energy: -144.593
Base-Backbone interact. energy: -2.124
local terms energy: -154.581470
where:
bonds (distance) C4'-P energy: -30.084
bonds (distance) P-C4' energy: -32.168
flat angles C4'-P-C4' energy: -32.680
flat angles P-C4'-P energy: -26.176
tors. eta vs tors. theta energy: -33.475
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: 2
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -518.809279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.809279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.809279 (E_RNA)
where:
Base-Base interactions energy: -350.008
where: short stacking energy: -162.228
Base-Backbone interact. energy: -0.616
local terms energy: -168.184952
where:
bonds (distance) C4'-P energy: -31.825
bonds (distance) P-C4' energy: -31.713
flat angles C4'-P-C4' energy: -34.228
flat angles P-C4'-P energy: -19.620
tors. eta vs tors. theta energy: -50.799
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: 4
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -505.200662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.200662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.200662 (E_RNA)
where:
Base-Base interactions energy: -346.472
where: short stacking energy: -153.815
Base-Backbone interact. energy: -1.811
local terms energy: -156.918355
where:
bonds (distance) C4'-P energy: -29.487
bonds (distance) P-C4' energy: -25.812
flat angles C4'-P-C4' energy: -35.760
flat angles P-C4'-P energy: -17.608
tors. eta vs tors. theta energy: -48.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -469.533485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.533485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.533485 (E_RNA)
where:
Base-Base interactions energy: -326.254
where: short stacking energy: -153.390
Base-Backbone interact. energy: -0.414
local terms energy: -142.866102
where:
bonds (distance) C4'-P energy: -32.496
bonds (distance) P-C4' energy: -27.753
flat angles C4'-P-C4' energy: -26.937
flat angles P-C4'-P energy: -16.201
tors. eta vs tors. theta energy: -39.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -341.835925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.835925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.835925 (E_RNA)
where:
Base-Base interactions energy: -211.475
where: short stacking energy: -106.626
Base-Backbone interact. energy: -0.278
local terms energy: -130.083007
where:
bonds (distance) C4'-P energy: -25.724
bonds (distance) P-C4' energy: -25.431
flat angles C4'-P-C4' energy: -32.701
flat angles P-C4'-P energy: -24.967
tors. eta vs tors. theta energy: -21.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -319.275104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.275104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.275104 (E_RNA)
where:
Base-Base interactions energy: -195.216
where: short stacking energy: -97.097
Base-Backbone interact. energy: 1.447
local terms energy: -125.506115
where:
bonds (distance) C4'-P energy: -26.967
bonds (distance) P-C4' energy: -29.343
flat angles C4'-P-C4' energy: -28.020
flat angles P-C4'-P energy: -20.640
tors. eta vs tors. theta energy: -20.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -322.392003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.392003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.392003 (E_RNA)
where:
Base-Base interactions energy: -197.786
where: short stacking energy: -89.861
Base-Backbone interact. energy: -0.360
local terms energy: -124.245201
where:
bonds (distance) C4'-P energy: -32.900
bonds (distance) P-C4' energy: -26.162
flat angles C4'-P-C4' energy: -30.006
flat angles P-C4'-P energy: -16.472
tors. eta vs tors. theta energy: -18.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -179.465159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.465159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.465159 (E_RNA)
where:
Base-Base interactions energy: -75.841
where: short stacking energy: -68.863
Base-Backbone interact. energy: 1.420
local terms energy: -105.043787
where:
bonds (distance) C4'-P energy: -22.022
bonds (distance) P-C4' energy: -37.107
flat angles C4'-P-C4' energy: -25.856
flat angles P-C4'-P energy: -14.192
tors. eta vs tors. theta energy: -5.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -165.952537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.952537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.952537 (E_RNA)
where:
Base-Base interactions energy: -71.083
where: short stacking energy: -46.113
Base-Backbone interact. energy: -0.532
local terms energy: -94.337004
where:
bonds (distance) C4'-P energy: -30.188
bonds (distance) P-C4' energy: -31.261
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -16.582
tors. eta vs tors. theta energy: -1.544
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: 6
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -553.490061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.490061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.490061 (E_RNA)
where:
Base-Base interactions energy: -389.712
where: short stacking energy: -173.743
Base-Backbone interact. energy: -0.340
local terms energy: -163.438198
where:
bonds (distance) C4'-P energy: -29.092
bonds (distance) P-C4' energy: -30.667
flat angles C4'-P-C4' energy: -32.913
flat angles P-C4'-P energy: -21.730
tors. eta vs tors. theta energy: -49.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -519.936729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.936729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.936729 (E_RNA)
where:
Base-Base interactions energy: -352.559
where: short stacking energy: -147.953
Base-Backbone interact. energy: -1.606
local terms energy: -165.771617
where:
bonds (distance) C4'-P energy: -30.871
bonds (distance) P-C4' energy: -28.371
flat angles C4'-P-C4' energy: -36.459
flat angles P-C4'-P energy: -21.636
tors. eta vs tors. theta energy: -48.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -508.985034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.985034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.985034 (E_RNA)
where:
Base-Base interactions energy: -359.927
where: short stacking energy: -149.988
Base-Backbone interact. energy: 1.220
local terms energy: -150.278369
where:
bonds (distance) C4'-P energy: -25.431
bonds (distance) P-C4' energy: -30.250
flat angles C4'-P-C4' energy: -33.487
flat angles P-C4'-P energy: -21.588
tors. eta vs tors. theta energy: -39.523
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: 4, replica: 4
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -497.763463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.763463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.763463 (E_RNA)
where:
Base-Base interactions energy: -346.916
where: short stacking energy: -146.388
Base-Backbone interact. energy: -0.739
local terms energy: -150.109140
where:
bonds (distance) C4'-P energy: -31.928
bonds (distance) P-C4' energy: -25.423
flat angles C4'-P-C4' energy: -30.992
flat angles P-C4'-P energy: -19.524
tors. eta vs tors. theta energy: -42.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -457.666018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.666018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.666018 (E_RNA)
where:
Base-Base interactions energy: -320.746
where: short stacking energy: -132.193
Base-Backbone interact. energy: -0.054
local terms energy: -136.866713
where:
bonds (distance) C4'-P energy: -28.817
bonds (distance) P-C4' energy: -29.331
flat angles C4'-P-C4' energy: -27.049
flat angles P-C4'-P energy: -16.850
tors. eta vs tors. theta energy: -34.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -366.619719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.619719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.619719 (E_RNA)
where:
Base-Base interactions energy: -240.239
where: short stacking energy: -117.433
Base-Backbone interact. energy: -0.580
local terms energy: -125.800763
where:
bonds (distance) C4'-P energy: -23.255
bonds (distance) P-C4' energy: -31.680
flat angles C4'-P-C4' energy: -27.555
flat angles P-C4'-P energy: -15.925
tors. eta vs tors. theta energy: -27.386
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: 7, replica: 7
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -328.388837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.388837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.388837 (E_RNA)
where:
Base-Base interactions energy: -208.711
where: short stacking energy: -105.670
Base-Backbone interact. energy: 0.191
local terms energy: -119.868466
where:
bonds (distance) C4'-P energy: -32.118
bonds (distance) P-C4' energy: -29.024
flat angles C4'-P-C4' energy: -28.382
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: -22.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -329.940897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.940897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.940897 (E_RNA)
where:
Base-Base interactions energy: -202.248
where: short stacking energy: -83.785
Base-Backbone interact. energy: 0.163
local terms energy: -127.856507
where:
bonds (distance) C4'-P energy: -31.529
bonds (distance) P-C4' energy: -30.960
flat angles C4'-P-C4' energy: -31.334
flat angles P-C4'-P energy: -14.776
tors. eta vs tors. theta energy: -19.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -160.964687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.964687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.964687 (E_RNA)
where:
Base-Base interactions energy: -67.534
where: short stacking energy: -52.020
Base-Backbone interact. energy: -0.208
local terms energy: -93.222733
where:
bonds (distance) C4'-P energy: -25.144
bonds (distance) P-C4' energy: -27.314
flat angles C4'-P-C4' energy: -23.446
flat angles P-C4'-P energy: -14.985
tors. eta vs tors. theta energy: -2.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -169.020348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.020348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.020348 (E_RNA)
where:
Base-Base interactions energy: -70.510
where: short stacking energy: -70.510
Base-Backbone interact. energy: -0.094
local terms energy: -98.415580
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -22.592
flat angles C4'-P-C4' energy: -24.932
flat angles P-C4'-P energy: -19.455
tors. eta vs tors. theta energy: -17.996
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: 1, replica: 6
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -559.488770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.488770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.488770 (E_RNA)
where:
Base-Base interactions energy: -383.973
where: short stacking energy: -170.715
Base-Backbone interact. energy: -0.099
local terms energy: -175.416105
where:
bonds (distance) C4'-P energy: -31.846
bonds (distance) P-C4' energy: -34.351
flat angles C4'-P-C4' energy: -38.017
flat angles P-C4'-P energy: -21.836
tors. eta vs tors. theta energy: -49.366
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: 2
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -533.020815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.020815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.020815 (E_RNA)
where:
Base-Base interactions energy: -364.762
where: short stacking energy: -168.512
Base-Backbone interact. energy: -0.144
local terms energy: -168.114930
where:
bonds (distance) C4'-P energy: -30.176
bonds (distance) P-C4' energy: -27.646
flat angles C4'-P-C4' energy: -34.189
flat angles P-C4'-P energy: -26.452
tors. eta vs tors. theta energy: -49.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -524.028220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.028220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.028220 (E_RNA)
where:
Base-Base interactions energy: -364.280
where: short stacking energy: -158.032
Base-Backbone interact. energy: -1.206
local terms energy: -158.542296
where:
bonds (distance) C4'-P energy: -31.492
bonds (distance) P-C4' energy: -33.203
flat angles C4'-P-C4' energy: -29.739
flat angles P-C4'-P energy: -22.286
tors. eta vs tors. theta energy: -41.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -476.359216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.359216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.359216 (E_RNA)
where:
Base-Base interactions energy: -327.137
where: short stacking energy: -155.382
Base-Backbone interact. energy: -0.254
local terms energy: -148.967818
where:
bonds (distance) C4'-P energy: -33.174
bonds (distance) P-C4' energy: -28.922
flat angles C4'-P-C4' energy: -26.980
flat angles P-C4'-P energy: -16.412
tors. eta vs tors. theta energy: -43.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -359.972657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.972657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.972657 (E_RNA)
where:
Base-Base interactions energy: -214.482
where: short stacking energy: -123.616
Base-Backbone interact. energy: -0.225
local terms energy: -145.265376
where:
bonds (distance) C4'-P energy: -32.401
bonds (distance) P-C4' energy: -30.887
flat angles C4'-P-C4' energy: -33.836
flat angles P-C4'-P energy: -19.364
tors. eta vs tors. theta energy: -28.778
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: 10
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -447.021417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.021417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.021417 (E_RNA)
where:
Base-Base interactions energy: -310.867
where: short stacking energy: -130.813
Base-Backbone interact. energy: 0.485
local terms energy: -136.639354
where:
bonds (distance) C4'-P energy: -22.476
bonds (distance) P-C4' energy: -30.261
flat angles C4'-P-C4' energy: -31.317
flat angles P-C4'-P energy: -22.943
tors. eta vs tors. theta energy: -29.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -349.062401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.062401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.062401 (E_RNA)
where:
Base-Base interactions energy: -214.412
where: short stacking energy: -123.713
Base-Backbone interact. energy: -0.206
local terms energy: -134.443761
where:
bonds (distance) C4'-P energy: -29.330
bonds (distance) P-C4' energy: -28.554
flat angles C4'-P-C4' energy: -23.828
flat angles P-C4'-P energy: -21.691
tors. eta vs tors. theta energy: -31.041
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: 3
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -350.341961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.341961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.341961 (E_RNA)
where:
Base-Base interactions energy: -217.854
where: short stacking energy: -108.738
Base-Backbone interact. energy: -0.426
local terms energy: -132.062084
where:
bonds (distance) C4'-P energy: -31.560
bonds (distance) P-C4' energy: -35.337
flat angles C4'-P-C4' energy: -28.147
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -26.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -175.590010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.590010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.590010 (E_RNA)
where:
Base-Base interactions energy: -68.909
where: short stacking energy: -46.327
Base-Backbone interact. energy: -0.605
local terms energy: -106.075804
where:
bonds (distance) C4'-P energy: -30.662
bonds (distance) P-C4' energy: -21.764
flat angles C4'-P-C4' energy: -29.976
flat angles P-C4'-P energy: -19.279
tors. eta vs tors. theta energy: -4.394
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: 5
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -144.460546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.460546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.460546 (E_RNA)
where:
Base-Base interactions energy: -57.013
where: short stacking energy: -46.615
Base-Backbone interact. energy: -0.330
local terms energy: -87.118047
where:
bonds (distance) C4'-P energy: -25.758
bonds (distance) P-C4' energy: -25.142
flat angles C4'-P-C4' energy: -21.007
flat angles P-C4'-P energy: -19.038
tors. eta vs tors. theta energy: 3.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -548.871585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.871585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.871585 (E_RNA)
where:
Base-Base interactions energy: -376.539
where: short stacking energy: -170.110
Base-Backbone interact. energy: -0.011
local terms energy: -172.321413
where:
bonds (distance) C4'-P energy: -32.396
bonds (distance) P-C4' energy: -30.581
flat angles C4'-P-C4' energy: -32.688
flat angles P-C4'-P energy: -25.653
tors. eta vs tors. theta energy: -51.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -517.021196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.021196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.021196 (E_RNA)
where:
Base-Base interactions energy: -338.092
where: short stacking energy: -152.490
Base-Backbone interact. energy: 0.347
local terms energy: -179.275407
where:
bonds (distance) C4'-P energy: -34.382
bonds (distance) P-C4' energy: -35.517
flat angles C4'-P-C4' energy: -32.525
flat angles P-C4'-P energy: -27.502
tors. eta vs tors. theta energy: -49.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -532.438751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.438751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.438751 (E_RNA)
where:
Base-Base interactions energy: -367.852
where: short stacking energy: -144.559
Base-Backbone interact. energy: -2.227
local terms energy: -162.359950
where:
bonds (distance) C4'-P energy: -31.049
bonds (distance) P-C4' energy: -32.846
flat angles C4'-P-C4' energy: -35.572
flat angles P-C4'-P energy: -19.581
tors. eta vs tors. theta energy: -43.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -487.624471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.624471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.624471 (E_RNA)
where:
Base-Base interactions energy: -339.922
where: short stacking energy: -143.683
Base-Backbone interact. energy: -1.051
local terms energy: -146.651602
where:
bonds (distance) C4'-P energy: -26.787
bonds (distance) P-C4' energy: -27.225
flat angles C4'-P-C4' energy: -37.045
flat angles P-C4'-P energy: -19.374
tors. eta vs tors. theta energy: -36.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -381.303959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.303959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.303959 (E_RNA)
where:
Base-Base interactions energy: -236.436
where: short stacking energy: -115.432
Base-Backbone interact. energy: -0.260
local terms energy: -144.608032
where:
bonds (distance) C4'-P energy: -30.086
bonds (distance) P-C4' energy: -34.434
flat angles C4'-P-C4' energy: -32.037
flat angles P-C4'-P energy: -21.155
tors. eta vs tors. theta energy: -26.896
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: 10
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -437.277442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.277442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.277442 (E_RNA)
where:
Base-Base interactions energy: -296.430
where: short stacking energy: -131.656
Base-Backbone interact. energy: -0.471
local terms energy: -140.376405
where:
bonds (distance) C4'-P energy: -22.514
bonds (distance) P-C4' energy: -30.841
flat angles C4'-P-C4' energy: -29.284
flat angles P-C4'-P energy: -19.393
tors. eta vs tors. theta energy: -38.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -336.671948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.671948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.671948 (E_RNA)
where:
Base-Base interactions energy: -194.801
where: short stacking energy: -90.012
Base-Backbone interact. energy: -0.544
local terms energy: -141.326985
where:
bonds (distance) C4'-P energy: -27.376
bonds (distance) P-C4' energy: -30.852
flat angles C4'-P-C4' energy: -34.468
flat angles P-C4'-P energy: -25.167
tors. eta vs tors. theta energy: -23.465
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: 8, replica: 3
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -318.783774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.783774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.783774 (E_RNA)
where:
Base-Base interactions energy: -188.808
where: short stacking energy: -86.272
Base-Backbone interact. energy: -0.360
local terms energy: -129.615519
where:
bonds (distance) C4'-P energy: -34.403
bonds (distance) P-C4' energy: -25.912
flat angles C4'-P-C4' energy: -30.589
flat angles P-C4'-P energy: -20.475
tors. eta vs tors. theta energy: -18.237
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: 9, replica: 8
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -189.702676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.702676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.702676 (E_RNA)
where:
Base-Base interactions energy: -88.498
where: short stacking energy: -56.827
Base-Backbone interact. energy: 0.496
local terms energy: -101.700258
where:
bonds (distance) C4'-P energy: -29.590
bonds (distance) P-C4' energy: -25.744
flat angles C4'-P-C4' energy: -22.764
flat angles P-C4'-P energy: -14.106
tors. eta vs tors. theta energy: -9.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -151.148230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.148230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.148230 (E_RNA)
where:
Base-Base interactions energy: -61.160
where: short stacking energy: -61.160
Base-Backbone interact. energy: 0.781
local terms energy: -90.769134
where:
bonds (distance) C4'-P energy: -23.110
bonds (distance) P-C4' energy: -30.836
flat angles C4'-P-C4' energy: -25.813
flat angles P-C4'-P energy: -6.333
tors. eta vs tors. theta energy: -4.677
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: 6
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -539.347660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.347660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.347660 (E_RNA)
where:
Base-Base interactions energy: -374.747
where: short stacking energy: -164.150
Base-Backbone interact. energy: -0.781
local terms energy: -163.819405
where:
bonds (distance) C4'-P energy: -26.462
bonds (distance) P-C4' energy: -27.333
flat angles C4'-P-C4' energy: -37.939
flat angles P-C4'-P energy: -25.142
tors. eta vs tors. theta energy: -46.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -523.710268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.710268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.710268 (E_RNA)
where:
Base-Base interactions energy: -359.733
where: short stacking energy: -167.887
Base-Backbone interact. energy: -0.862
local terms energy: -163.114991
where:
bonds (distance) C4'-P energy: -25.192
bonds (distance) P-C4' energy: -26.242
flat angles C4'-P-C4' energy: -38.582
flat angles P-C4'-P energy: -22.711
tors. eta vs tors. theta energy: -50.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -495.897382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.897382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.897382 (E_RNA)
where:
Base-Base interactions energy: -337.087
where: short stacking energy: -146.741
Base-Backbone interact. energy: -1.255
local terms energy: -157.555372
where:
bonds (distance) C4'-P energy: -30.367
bonds (distance) P-C4' energy: -30.787
flat angles C4'-P-C4' energy: -35.492
flat angles P-C4'-P energy: -20.375
tors. eta vs tors. theta energy: -40.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -496.814153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.814153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.814153 (E_RNA)
where:
Base-Base interactions energy: -344.912
where: short stacking energy: -145.030
Base-Backbone interact. energy: -0.103
local terms energy: -151.798746
where:
bonds (distance) C4'-P energy: -37.607
bonds (distance) P-C4' energy: -29.909
flat angles C4'-P-C4' energy: -26.356
flat angles P-C4'-P energy: -22.518
tors. eta vs tors. theta energy: -35.408
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: 10
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -445.672008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.672008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.672008 (E_RNA)
where:
Base-Base interactions energy: -300.500
where: short stacking energy: -143.778
Base-Backbone interact. energy: 0.092
local terms energy: -145.263585
where:
bonds (distance) C4'-P energy: -25.685
bonds (distance) P-C4' energy: -31.974
flat angles C4'-P-C4' energy: -33.995
flat angles P-C4'-P energy: -15.222
tors. eta vs tors. theta energy: -38.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -338.663168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.663168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.663168 (E_RNA)
where:
Base-Base interactions energy: -202.926
where: short stacking energy: -115.674
Base-Backbone interact. energy: 0.979
local terms energy: -136.717050
where:
bonds (distance) C4'-P energy: -34.278
bonds (distance) P-C4' energy: -31.032
flat angles C4'-P-C4' energy: -20.114
flat angles P-C4'-P energy: -18.332
tors. eta vs tors. theta energy: -32.961
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: 3
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -314.698334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.698334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.698334 (E_RNA)
where:
Base-Base interactions energy: -183.137
where: short stacking energy: -102.245
Base-Backbone interact. energy: 1.703
local terms energy: -133.264787
where:
bonds (distance) C4'-P energy: -29.575
bonds (distance) P-C4' energy: -29.577
flat angles C4'-P-C4' energy: -32.828
flat angles P-C4'-P energy: -17.005
tors. eta vs tors. theta energy: -24.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -318.306621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.306621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.306621 (E_RNA)
where:
Base-Base interactions energy: -205.615
where: short stacking energy: -92.914
Base-Backbone interact. energy: -0.946
local terms energy: -111.745373
where:
bonds (distance) C4'-P energy: -24.360
bonds (distance) P-C4' energy: -30.781
flat angles C4'-P-C4' energy: -31.570
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -13.929
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: 8
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -154.954926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.954926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.954926 (E_RNA)
where:
Base-Base interactions energy: -56.458
where: short stacking energy: -28.731
Base-Backbone interact. energy: 0.209
local terms energy: -98.706265
where:
bonds (distance) C4'-P energy: -27.825
bonds (distance) P-C4' energy: -31.872
flat angles C4'-P-C4' energy: -21.895
flat angles P-C4'-P energy: -22.679
tors. eta vs tors. theta energy: 5.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -150.181286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.181286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.181286 (E_RNA)
where:
Base-Base interactions energy: -47.690
where: short stacking energy: -37.407
Base-Backbone interact. energy: -0.336
local terms energy: -102.154812
where:
bonds (distance) C4'-P energy: -28.407
bonds (distance) P-C4' energy: -33.652
flat angles C4'-P-C4' energy: -31.199
flat angles P-C4'-P energy: -15.971
tors. eta vs tors. theta energy: 7.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -549.520169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.520169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.520169 (E_RNA)
where:
Base-Base interactions energy: -373.134
where: short stacking energy: -173.826
Base-Backbone interact. energy: -0.063
local terms energy: -176.322724
where:
bonds (distance) C4'-P energy: -33.832
bonds (distance) P-C4' energy: -33.994
flat angles C4'-P-C4' energy: -32.128
flat angles P-C4'-P energy: -22.867
tors. eta vs tors. theta energy: -53.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -519.805599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.805599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.805599 (E_RNA)
where:
Base-Base interactions energy: -346.990
where: short stacking energy: -160.777
Base-Backbone interact. energy: 0.208
local terms energy: -173.023422
where:
bonds (distance) C4'-P energy: -32.043
bonds (distance) P-C4' energy: -29.937
flat angles C4'-P-C4' energy: -36.048
flat angles P-C4'-P energy: -25.932
tors. eta vs tors. theta energy: -49.064
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: 2
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -522.997798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.997798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.997798 (E_RNA)
where:
Base-Base interactions energy: -344.710
where: short stacking energy: -159.962
Base-Backbone interact. energy: -0.444
local terms energy: -177.844320
where:
bonds (distance) C4'-P energy: -33.141
bonds (distance) P-C4' energy: -35.472
flat angles C4'-P-C4' energy: -37.223
flat angles P-C4'-P energy: -20.840
tors. eta vs tors. theta energy: -51.168
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: 9
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -458.853610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.853610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.853610 (E_RNA)
where:
Base-Base interactions energy: -311.168
where: short stacking energy: -123.271
Base-Backbone interact. energy: -0.265
local terms energy: -147.420833
where:
bonds (distance) C4'-P energy: -34.972
bonds (distance) P-C4' energy: -29.504
flat angles C4'-P-C4' energy: -27.259
flat angles P-C4'-P energy: -25.896
tors. eta vs tors. theta energy: -29.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -448.934191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.934191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.934191 (E_RNA)
where:
Base-Base interactions energy: -302.182
where: short stacking energy: -134.194
Base-Backbone interact. energy: -0.491
local terms energy: -146.261530
where:
bonds (distance) C4'-P energy: -25.899
bonds (distance) P-C4' energy: -30.295
flat angles C4'-P-C4' energy: -31.902
flat angles P-C4'-P energy: -23.125
tors. eta vs tors. theta energy: -35.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -356.874878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.874878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.874878 (E_RNA)
where:
Base-Base interactions energy: -223.465
where: short stacking energy: -110.549
Base-Backbone interact. energy: -1.015
local terms energy: -132.394562
where:
bonds (distance) C4'-P energy: -28.334
bonds (distance) P-C4' energy: -31.800
flat angles C4'-P-C4' energy: -26.676
flat angles P-C4'-P energy: -18.728
tors. eta vs tors. theta energy: -26.857
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: 3
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -311.906334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.906334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.906334 (E_RNA)
where:
Base-Base interactions energy: -200.127
where: short stacking energy: -103.933
Base-Backbone interact. energy: -0.227
local terms energy: -111.551796
where:
bonds (distance) C4'-P energy: -24.040
bonds (distance) P-C4' energy: -19.443
flat angles C4'-P-C4' energy: -31.502
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -24.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -316.649579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.649579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.649579 (E_RNA)
where:
Base-Base interactions energy: -188.370
where: short stacking energy: -87.517
Base-Backbone interact. energy: -0.443
local terms energy: -127.836933
where:
bonds (distance) C4'-P energy: -22.271
bonds (distance) P-C4' energy: -31.322
flat angles C4'-P-C4' energy: -31.920
flat angles P-C4'-P energy: -20.239
tors. eta vs tors. theta energy: -22.085
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: 8
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -194.485884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.485884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.485884 (E_RNA)
where:
Base-Base interactions energy: -90.218
where: short stacking energy: -69.933
Base-Backbone interact. energy: 1.006
local terms energy: -105.273983
where:
bonds (distance) C4'-P energy: -25.311
bonds (distance) P-C4' energy: -29.628
flat angles C4'-P-C4' energy: -21.372
flat angles P-C4'-P energy: -23.219
tors. eta vs tors. theta energy: -5.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -149.018897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.018897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.018897 (E_RNA)
where:
Base-Base interactions energy: -57.661
where: short stacking energy: -56.286
Base-Backbone interact. energy: -0.074
local terms energy: -91.283476
where:
bonds (distance) C4'-P energy: -26.980
bonds (distance) P-C4' energy: -25.339
flat angles C4'-P-C4' energy: -22.894
flat angles P-C4'-P energy: -18.280
tors. eta vs tors. theta energy: 2.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -527.359841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.359841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.359841 (E_RNA)
where:
Base-Base interactions energy: -353.761
where: short stacking energy: -164.969
Base-Backbone interact. energy: 1.352
local terms energy: -174.950874
where:
bonds (distance) C4'-P energy: -33.148
bonds (distance) P-C4' energy: -30.283
flat angles C4'-P-C4' energy: -37.412
flat angles P-C4'-P energy: -26.369
tors. eta vs tors. theta energy: -47.739
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: 2, replica: 6
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -535.595431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.595431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.595431 (E_RNA)
where:
Base-Base interactions energy: -370.407
where: short stacking energy: -167.132
Base-Backbone interact. energy: -0.063
local terms energy: -165.125562
where:
bonds (distance) C4'-P energy: -25.988
bonds (distance) P-C4' energy: -29.240
flat angles C4'-P-C4' energy: -34.525
flat angles P-C4'-P energy: -26.335
tors. eta vs tors. theta energy: -49.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -496.426952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.426952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.426952 (E_RNA)
where:
Base-Base interactions energy: -353.665
where: short stacking energy: -133.640
Base-Backbone interact. energy: -0.972
local terms energy: -141.789937
where:
bonds (distance) C4'-P energy: -28.851
bonds (distance) P-C4' energy: -33.747
flat angles C4'-P-C4' energy: -31.323
flat angles P-C4'-P energy: -15.987
tors. eta vs tors. theta energy: -31.882
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: 2
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -509.775173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.775173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.775173 (E_RNA)
where:
Base-Base interactions energy: -351.605
where: short stacking energy: -158.282
Base-Backbone interact. energy: -0.361
local terms energy: -157.808278
where:
bonds (distance) C4'-P energy: -30.464
bonds (distance) P-C4' energy: -24.432
flat angles C4'-P-C4' energy: -31.625
flat angles P-C4'-P energy: -22.088
tors. eta vs tors. theta energy: -49.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -488.810593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.810593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.810593 (E_RNA)
where:
Base-Base interactions energy: -330.351
where: short stacking energy: -144.008
Base-Backbone interact. energy: 0.213
local terms energy: -158.672100
where:
bonds (distance) C4'-P energy: -30.983
bonds (distance) P-C4' energy: -26.927
flat angles C4'-P-C4' energy: -36.177
flat angles P-C4'-P energy: -20.180
tors. eta vs tors. theta energy: -44.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -362.595744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.595744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.595744 (E_RNA)
where:
Base-Base interactions energy: -230.728
where: short stacking energy: -116.611
Base-Backbone interact. energy: 0.074
local terms energy: -131.942185
where:
bonds (distance) C4'-P energy: -19.044
bonds (distance) P-C4' energy: -29.739
flat angles C4'-P-C4' energy: -33.644
flat angles P-C4'-P energy: -15.448
tors. eta vs tors. theta energy: -34.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -344.596775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.596775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.596775 (E_RNA)
where:
Base-Base interactions energy: -220.304
where: short stacking energy: -92.674
Base-Backbone interact. energy: -1.543
local terms energy: -122.749661
where:
bonds (distance) C4'-P energy: -28.101
bonds (distance) P-C4' energy: -32.177
flat angles C4'-P-C4' energy: -27.101
flat angles P-C4'-P energy: -17.548
tors. eta vs tors. theta energy: -17.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -319.761976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.761976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.761976 (E_RNA)
where:
Base-Base interactions energy: -189.423
where: short stacking energy: -90.670
Base-Backbone interact. energy: -0.176
local terms energy: -130.163264
where:
bonds (distance) C4'-P energy: -25.339
bonds (distance) P-C4' energy: -30.084
flat angles C4'-P-C4' energy: -28.539
flat angles P-C4'-P energy: -20.405
tors. eta vs tors. theta energy: -25.795
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: 8
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -162.351859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.351859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.351859 (E_RNA)
where:
Base-Base interactions energy: -72.066
where: short stacking energy: -60.468
Base-Backbone interact. energy: -0.251
local terms energy: -90.035812
where:
bonds (distance) C4'-P energy: -24.296
bonds (distance) P-C4' energy: -32.864
flat angles C4'-P-C4' energy: -20.471
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -0.277
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: 5
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -152.305890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.305890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.305890 (E_RNA)
where:
Base-Base interactions energy: -50.356
where: short stacking energy: -47.146
Base-Backbone interact. energy: 0.010
local terms energy: -101.960340
where:
bonds (distance) C4'-P energy: -33.822
bonds (distance) P-C4' energy: -25.654
flat angles C4'-P-C4' energy: -29.680
flat angles P-C4'-P energy: -5.307
tors. eta vs tors. theta energy: -7.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -543.183179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.183179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.183179 (E_RNA)
where:
Base-Base interactions energy: -361.482
where: short stacking energy: -175.175
Base-Backbone interact. energy: -0.114
local terms energy: -181.587248
where:
bonds (distance) C4'-P energy: -33.133
bonds (distance) P-C4' energy: -33.692
flat angles C4'-P-C4' energy: -35.663
flat angles P-C4'-P energy: -27.258
tors. eta vs tors. theta energy: -51.840
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: 9
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -522.003764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.003764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.003764 (E_RNA)
where:
Base-Base interactions energy: -374.207
where: short stacking energy: -162.768
Base-Backbone interact. energy: 7.433
local terms energy: -155.229852
where:
bonds (distance) C4'-P energy: -29.655
bonds (distance) P-C4' energy: -34.720
flat angles C4'-P-C4' energy: -29.633
flat angles P-C4'-P energy: -21.762
tors. eta vs tors. theta energy: -39.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -531.372363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.372363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.372363 (E_RNA)
where:
Base-Base interactions energy: -369.915
where: short stacking energy: -167.078
Base-Backbone interact. energy: -0.005
local terms energy: -161.452819
where:
bonds (distance) C4'-P energy: -25.548
bonds (distance) P-C4' energy: -29.547
flat angles C4'-P-C4' energy: -34.680
flat angles P-C4'-P energy: -19.916
tors. eta vs tors. theta energy: -51.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -490.135632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.135632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.135632 (E_RNA)
where:
Base-Base interactions energy: -328.505
where: short stacking energy: -140.073
Base-Backbone interact. energy: -1.070
local terms energy: -160.561241
where:
bonds (distance) C4'-P energy: -30.320
bonds (distance) P-C4' energy: -27.823
flat angles C4'-P-C4' energy: -37.626
flat angles P-C4'-P energy: -18.568
tors. eta vs tors. theta energy: -46.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -494.850259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.850259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.850259 (E_RNA)
where:
Base-Base interactions energy: -333.885
where: short stacking energy: -144.886
Base-Backbone interact. energy: -2.067
local terms energy: -158.898155
where:
bonds (distance) C4'-P energy: -28.071
bonds (distance) P-C4' energy: -35.437
flat angles C4'-P-C4' energy: -32.257
flat angles P-C4'-P energy: -20.960
tors. eta vs tors. theta energy: -42.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -337.281162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.281162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.281162 (E_RNA)
where:
Base-Base interactions energy: -215.107
where: short stacking energy: -117.161
Base-Backbone interact. energy: -1.138
local terms energy: -121.036171
where:
bonds (distance) C4'-P energy: -23.639
bonds (distance) P-C4' energy: -25.705
flat angles C4'-P-C4' energy: -23.492
flat angles P-C4'-P energy: -26.144
tors. eta vs tors. theta energy: -22.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -344.065722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.065722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.065722 (E_RNA)
where:
Base-Base interactions energy: -214.274
where: short stacking energy: -98.615
Base-Backbone interact. energy: -1.417
local terms energy: -128.374429
where:
bonds (distance) C4'-P energy: -23.524
bonds (distance) P-C4' energy: -30.872
flat angles C4'-P-C4' energy: -24.978
flat angles P-C4'-P energy: -20.625
tors. eta vs tors. theta energy: -28.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -308.018948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.018948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.018948 (E_RNA)
where:
Base-Base interactions energy: -186.709
where: short stacking energy: -97.638
Base-Backbone interact. energy: -0.355
local terms energy: -120.954642
where:
bonds (distance) C4'-P energy: -32.778
bonds (distance) P-C4' energy: -23.523
flat angles C4'-P-C4' energy: -29.701
flat angles P-C4'-P energy: -18.155
tors. eta vs tors. theta energy: -16.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -168.529057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.529057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.529057 (E_RNA)
where:
Base-Base interactions energy: -74.822
where: short stacking energy: -56.804
Base-Backbone interact. energy: -0.566
local terms energy: -93.141101
where:
bonds (distance) C4'-P energy: -27.116
bonds (distance) P-C4' energy: -21.793
flat angles C4'-P-C4' energy: -28.530
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: -5.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -162.123660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.123660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.123660 (E_RNA)
where:
Base-Base interactions energy: -70.218
where: short stacking energy: -53.634
Base-Backbone interact. energy: -0.801
local terms energy: -91.104324
where:
bonds (distance) C4'-P energy: -29.555
bonds (distance) P-C4' energy: -35.093
flat angles C4'-P-C4' energy: -25.966
flat angles P-C4'-P energy: -0.865
tors. eta vs tors. theta energy: 0.375
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: 9
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -537.376888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.376888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.376888 (E_RNA)
where:
Base-Base interactions energy: -371.260
where: short stacking energy: -154.783
Base-Backbone interact. energy: -2.159
local terms energy: -163.958296
where:
bonds (distance) C4'-P energy: -27.452
bonds (distance) P-C4' energy: -36.019
flat angles C4'-P-C4' energy: -33.672
flat angles P-C4'-P energy: -24.017
tors. eta vs tors. theta energy: -42.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -535.292297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.292297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.292297 (E_RNA)
where:
Base-Base interactions energy: -352.670
where: short stacking energy: -170.840
Base-Backbone interact. energy: -0.015
local terms energy: -182.607182
where:
bonds (distance) C4'-P energy: -36.642
bonds (distance) P-C4' energy: -37.661
flat angles C4'-P-C4' energy: -35.831
flat angles P-C4'-P energy: -22.828
tors. eta vs tors. theta energy: -49.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -528.414971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.414971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.414971 (E_RNA)
where:
Base-Base interactions energy: -370.965
where: short stacking energy: -157.773
Base-Backbone interact. energy: -0.335
local terms energy: -157.114863
where:
bonds (distance) C4'-P energy: -28.998
bonds (distance) P-C4' energy: -29.574
flat angles C4'-P-C4' energy: -33.660
flat angles P-C4'-P energy: -21.923
tors. eta vs tors. theta energy: -42.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -465.481544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.481544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.481544 (E_RNA)
where:
Base-Base interactions energy: -322.589
where: short stacking energy: -136.903
Base-Backbone interact. energy: -1.305
local terms energy: -141.587871
where:
bonds (distance) C4'-P energy: -27.969
bonds (distance) P-C4' energy: -26.667
flat angles C4'-P-C4' energy: -37.484
flat angles P-C4'-P energy: -17.783
tors. eta vs tors. theta energy: -31.684
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: 2
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -487.635809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.635809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.635809 (E_RNA)
where:
Base-Base interactions energy: -323.284
where: short stacking energy: -145.232
Base-Backbone interact. energy: -0.082
local terms energy: -164.269661
where:
bonds (distance) C4'-P energy: -29.586
bonds (distance) P-C4' energy: -33.625
flat angles C4'-P-C4' energy: -37.811
flat angles P-C4'-P energy: -21.414
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: 6, replica: 7
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -354.884331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.884331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.884331 (E_RNA)
where:
Base-Base interactions energy: -229.881
where: short stacking energy: -102.085
Base-Backbone interact. energy: -0.003
local terms energy: -124.999813
where:
bonds (distance) C4'-P energy: -25.794
bonds (distance) P-C4' energy: -29.673
flat angles C4'-P-C4' energy: -34.530
flat angles P-C4'-P energy: -14.991
tors. eta vs tors. theta energy: -20.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -341.100498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.100498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.100498 (E_RNA)
where:
Base-Base interactions energy: -193.138
where: short stacking energy: -111.751
Base-Backbone interact. energy: -0.808
local terms energy: -147.153800
where:
bonds (distance) C4'-P energy: -26.495
bonds (distance) P-C4' energy: -34.692
flat angles C4'-P-C4' energy: -31.552
flat angles P-C4'-P energy: -24.695
tors. eta vs tors. theta energy: -29.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -300.506420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.506420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.506420 (E_RNA)
where:
Base-Base interactions energy: -189.374
where: short stacking energy: -86.963
Base-Backbone interact. energy: -1.661
local terms energy: -109.471081
where:
bonds (distance) C4'-P energy: -28.020
bonds (distance) P-C4' energy: -28.249
flat angles C4'-P-C4' energy: -16.167
flat angles P-C4'-P energy: -20.889
tors. eta vs tors. theta energy: -16.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -192.096153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.096153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.096153 (E_RNA)
where:
Base-Base interactions energy: -96.909
where: short stacking energy: -47.501
Base-Backbone interact. energy: -1.726
local terms energy: -93.460558
where:
bonds (distance) C4'-P energy: -25.834
bonds (distance) P-C4' energy: -20.151
flat angles C4'-P-C4' energy: -29.443
flat angles P-C4'-P energy: -17.433
tors. eta vs tors. theta energy: -0.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -149.301336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.301336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.301336 (E_RNA)
where:
Base-Base interactions energy: -53.006
where: short stacking energy: -51.081
Base-Backbone interact. energy: 0.309
local terms energy: -96.603970
where:
bonds (distance) C4'-P energy: -28.541
bonds (distance) P-C4' energy: -25.732
flat angles C4'-P-C4' energy: -22.756
flat angles P-C4'-P energy: -13.103
tors. eta vs tors. theta energy: -6.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -543.580897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.580897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.580897 (E_RNA)
where:
Base-Base interactions energy: -369.865
where: short stacking energy: -157.806
Base-Backbone interact. energy: -3.204
local terms energy: -170.511881
where:
bonds (distance) C4'-P energy: -34.985
bonds (distance) P-C4' energy: -34.682
flat angles C4'-P-C4' energy: -34.201
flat angles P-C4'-P energy: -23.484
tors. eta vs tors. theta energy: -43.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -544.757540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.757540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.757540 (E_RNA)
where:
Base-Base interactions energy: -373.195
where: short stacking energy: -173.917
Base-Backbone interact. energy: -0.014
local terms energy: -171.549439
where:
bonds (distance) C4'-P energy: -29.220
bonds (distance) P-C4' energy: -32.453
flat angles C4'-P-C4' energy: -35.306
flat angles P-C4'-P energy: -24.912
tors. eta vs tors. theta energy: -49.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -493.644016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.644016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.644016 (E_RNA)
where:
Base-Base interactions energy: -332.333
where: short stacking energy: -143.686
Base-Backbone interact. energy: -0.604
local terms energy: -160.706952
where:
bonds (distance) C4'-P energy: -31.472
bonds (distance) P-C4' energy: -28.756
flat angles C4'-P-C4' energy: -36.464
flat angles P-C4'-P energy: -18.792
tors. eta vs tors. theta energy: -45.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -524.431881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.431881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.431881 (E_RNA)
where:
Base-Base interactions energy: -351.770
where: short stacking energy: -156.560
Base-Backbone interact. energy: 1.409
local terms energy: -174.070436
where:
bonds (distance) C4'-P energy: -30.883
bonds (distance) P-C4' energy: -31.650
flat angles C4'-P-C4' energy: -36.066
flat angles P-C4'-P energy: -26.139
tors. eta vs tors. theta energy: -49.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -457.806353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.806353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.806353 (E_RNA)
where:
Base-Base interactions energy: -303.938
where: short stacking energy: -140.561
Base-Backbone interact. energy: -1.191
local terms energy: -152.677357
where:
bonds (distance) C4'-P energy: -36.954
bonds (distance) P-C4' energy: -25.095
flat angles C4'-P-C4' energy: -28.113
flat angles P-C4'-P energy: -22.280
tors. eta vs tors. theta energy: -40.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -333.073072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.073072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.073072 (E_RNA)
where:
Base-Base interactions energy: -198.239
where: short stacking energy: -101.842
Base-Backbone interact. energy: -0.125
local terms energy: -134.708860
where:
bonds (distance) C4'-P energy: -31.781
bonds (distance) P-C4' energy: -31.670
flat angles C4'-P-C4' energy: -31.506
flat angles P-C4'-P energy: -19.152
tors. eta vs tors. theta energy: -20.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -366.155506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.155506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.155506 (E_RNA)
where:
Base-Base interactions energy: -243.322
where: short stacking energy: -110.253
Base-Backbone interact. energy: -0.275
local terms energy: -122.558551
where:
bonds (distance) C4'-P energy: -30.690
bonds (distance) P-C4' energy: -22.848
flat angles C4'-P-C4' energy: -20.598
flat angles P-C4'-P energy: -17.435
tors. eta vs tors. theta energy: -30.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -322.188464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.188464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.188464 (E_RNA)
where:
Base-Base interactions energy: -194.632
where: short stacking energy: -97.213
Base-Backbone interact. energy: -0.952
local terms energy: -126.604813
where:
bonds (distance) C4'-P energy: -24.534
bonds (distance) P-C4' energy: -28.294
flat angles C4'-P-C4' energy: -26.200
flat angles P-C4'-P energy: -19.984
tors. eta vs tors. theta energy: -27.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -174.061356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.061356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.061356 (E_RNA)
where:
Base-Base interactions energy: -82.872
where: short stacking energy: -51.084
Base-Backbone interact. energy: -0.917
local terms energy: -90.272207
where:
bonds (distance) C4'-P energy: -26.028
bonds (distance) P-C4' energy: -26.471
flat angles C4'-P-C4' energy: -27.419
flat angles P-C4'-P energy: -19.103
tors. eta vs tors. theta energy: 8.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -146.488922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.488922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.488922 (E_RNA)
where:
Base-Base interactions energy: -45.186
where: short stacking energy: -38.422
Base-Backbone interact. energy: -0.627
local terms energy: -100.675854
where:
bonds (distance) C4'-P energy: -31.336
bonds (distance) P-C4' energy: -29.648
flat angles C4'-P-C4' energy: -24.884
flat angles P-C4'-P energy: -15.149
tors. eta vs tors. theta energy: 0.341
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: 6
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -558.769680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.769680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.769680 (E_RNA)
where:
Base-Base interactions energy: -378.285
where: short stacking energy: -177.727
Base-Backbone interact. energy: -0.002
local terms energy: -180.482476
where:
bonds (distance) C4'-P energy: -28.309
bonds (distance) P-C4' energy: -35.621
flat angles C4'-P-C4' energy: -38.379
flat angles P-C4'-P energy: -27.106
tors. eta vs tors. theta energy: -51.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -530.367622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.367622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.367622 (E_RNA)
where:
Base-Base interactions energy: -374.895
where: short stacking energy: -143.498
Base-Backbone interact. energy: -0.897
local terms energy: -154.575354
where:
bonds (distance) C4'-P energy: -29.883
bonds (distance) P-C4' energy: -32.786
flat angles C4'-P-C4' energy: -30.625
flat angles P-C4'-P energy: -25.883
tors. eta vs tors. theta energy: -35.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -499.012198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.012198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.012198 (E_RNA)
where:
Base-Base interactions energy: -335.396
where: short stacking energy: -148.814
Base-Backbone interact. energy: -0.393
local terms energy: -163.223388
where:
bonds (distance) C4'-P energy: -26.053
bonds (distance) P-C4' energy: -29.521
flat angles C4'-P-C4' energy: -34.422
flat angles P-C4'-P energy: -27.386
tors. eta vs tors. theta energy: -45.841
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: 4, replica: 4
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -501.653902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.653902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.653902 (E_RNA)
where:
Base-Base interactions energy: -337.708
where: short stacking energy: -156.386
Base-Backbone interact. energy: -0.922
local terms energy: -163.023477
where:
bonds (distance) C4'-P energy: -26.432
bonds (distance) P-C4' energy: -30.869
flat angles C4'-P-C4' energy: -33.411
flat angles P-C4'-P energy: -24.055
tors. eta vs tors. theta energy: -48.256
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: 10
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -449.541346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.541346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.541346 (E_RNA)
where:
Base-Base interactions energy: -306.372
where: short stacking energy: -131.292
Base-Backbone interact. energy: -0.128
local terms energy: -143.041388
where:
bonds (distance) C4'-P energy: -27.737
bonds (distance) P-C4' energy: -31.178
flat angles C4'-P-C4' energy: -29.627
flat angles P-C4'-P energy: -16.166
tors. eta vs tors. theta energy: -38.332
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: 500
Temperature: 1.150000
Total energy: -361.490009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.490009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.490009 (E_RNA)
where:
Base-Base interactions energy: -229.243
where: short stacking energy: -111.122
Base-Backbone interact. energy: -0.148
local terms energy: -132.098918
where:
bonds (distance) C4'-P energy: -26.757
bonds (distance) P-C4' energy: -21.473
flat angles C4'-P-C4' energy: -37.159
flat angles P-C4'-P energy: -22.256
tors. eta vs tors. theta energy: -24.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -405.383181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.383181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.383181 (E_RNA)
where:
Base-Base interactions energy: -264.153
where: short stacking energy: -116.235
Base-Backbone interact. energy: -0.654
local terms energy: -140.576016
where:
bonds (distance) C4'-P energy: -28.456
bonds (distance) P-C4' energy: -23.530
flat angles C4'-P-C4' energy: -29.078
flat angles P-C4'-P energy: -25.532
tors. eta vs tors. theta energy: -33.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -322.965341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.965341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.965341 (E_RNA)
where:
Base-Base interactions energy: -190.149
where: short stacking energy: -96.504
Base-Backbone interact. energy: -0.583
local terms energy: -132.233733
where:
bonds (distance) C4'-P energy: -31.362
bonds (distance) P-C4' energy: -24.593
flat angles C4'-P-C4' energy: -32.466
flat angles P-C4'-P energy: -22.290
tors. eta vs tors. theta energy: -21.523
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: 5
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -168.695923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.695923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.695923 (E_RNA)
where:
Base-Base interactions energy: -80.371
where: short stacking energy: -57.951
Base-Backbone interact. energy: -0.125
local terms energy: -88.199469
where:
bonds (distance) C4'-P energy: -17.007
bonds (distance) P-C4' energy: -31.444
flat angles C4'-P-C4' energy: -23.918
flat angles P-C4'-P energy: -15.068
tors. eta vs tors. theta energy: -0.762
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: 8
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -141.721839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.721839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.721839 (E_RNA)
where:
Base-Base interactions energy: -49.399
where: short stacking energy: -46.252
Base-Backbone interact. energy: 0.429
local terms energy: -92.751406
where:
bonds (distance) C4'-P energy: -25.375
bonds (distance) P-C4' energy: -26.529
flat angles C4'-P-C4' energy: -27.667
flat angles P-C4'-P energy: -15.403
tors. eta vs tors. theta energy: 2.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -550.468589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.468589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.468589 (E_RNA)
where:
Base-Base interactions energy: -367.203
where: short stacking energy: -155.886
Base-Backbone interact. energy: -0.467
local terms energy: -182.798943
where:
bonds (distance) C4'-P energy: -35.575
bonds (distance) P-C4' energy: -32.624
flat angles C4'-P-C4' energy: -40.248
flat angles P-C4'-P energy: -26.616
tors. eta vs tors. theta energy: -47.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -545.425064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.425064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.425064 (E_RNA)
where:
Base-Base interactions energy: -389.570
where: short stacking energy: -163.593
Base-Backbone interact. energy: -0.126
local terms energy: -155.728870
where:
bonds (distance) C4'-P energy: -26.327
bonds (distance) P-C4' energy: -32.749
flat angles C4'-P-C4' energy: -32.037
flat angles P-C4'-P energy: -24.075
tors. eta vs tors. theta energy: -40.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -496.302700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.302700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.302700 (E_RNA)
where:
Base-Base interactions energy: -341.450
where: short stacking energy: -164.485
Base-Backbone interact. energy: -0.463
local terms energy: -154.389675
where:
bonds (distance) C4'-P energy: -24.135
bonds (distance) P-C4' energy: -26.381
flat angles C4'-P-C4' energy: -32.737
flat angles P-C4'-P energy: -21.781
tors. eta vs tors. theta energy: -49.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -482.351002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.351002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.351002 (E_RNA)
where:
Base-Base interactions energy: -339.093
where: short stacking energy: -142.695
Base-Backbone interact. energy: -0.117
local terms energy: -143.141209
where:
bonds (distance) C4'-P energy: -26.410
bonds (distance) P-C4' energy: -35.939
flat angles C4'-P-C4' energy: -27.136
flat angles P-C4'-P energy: -17.334
tors. eta vs tors. theta energy: -36.322
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: 5, replica: 4
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -489.958644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.958644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.958644 (E_RNA)
where:
Base-Base interactions energy: -338.136
where: short stacking energy: -153.087
Base-Backbone interact. energy: 1.778
local terms energy: -153.600372
where:
bonds (distance) C4'-P energy: -28.180
bonds (distance) P-C4' energy: -26.548
flat angles C4'-P-C4' energy: -31.724
flat angles P-C4'-P energy: -21.038
tors. eta vs tors. theta energy: -46.111
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: 7
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -419.588490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.588490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.588490 (E_RNA)
where:
Base-Base interactions energy: -273.065
where: short stacking energy: -127.667
Base-Backbone interact. energy: 0.479
local terms energy: -147.001660
where:
bonds (distance) C4'-P energy: -29.882
bonds (distance) P-C4' energy: -34.867
flat angles C4'-P-C4' energy: -27.495
flat angles P-C4'-P energy: -18.172
tors. eta vs tors. theta energy: -36.586
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: 3
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -349.893715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.893715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.893715 (E_RNA)
where:
Base-Base interactions energy: -211.639
where: short stacking energy: -104.000
Base-Backbone interact. energy: -0.207
local terms energy: -138.047476
where:
bonds (distance) C4'-P energy: -30.800
bonds (distance) P-C4' energy: -32.605
flat angles C4'-P-C4' energy: -31.809
flat angles P-C4'-P energy: -23.210
tors. eta vs tors. theta energy: -19.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -323.543086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.543086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.543086 (E_RNA)
where:
Base-Base interactions energy: -187.798
where: short stacking energy: -94.350
Base-Backbone interact. energy: -1.385
local terms energy: -134.360299
where:
bonds (distance) C4'-P energy: -31.339
bonds (distance) P-C4' energy: -25.607
flat angles C4'-P-C4' energy: -33.826
flat angles P-C4'-P energy: -20.997
tors. eta vs tors. theta energy: -22.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -172.121928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.121928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.121928 (E_RNA)
where:
Base-Base interactions energy: -77.429
where: short stacking energy: -71.079
Base-Backbone interact. energy: -0.376
local terms energy: -94.317485
where:
bonds (distance) C4'-P energy: -20.589
bonds (distance) P-C4' energy: -27.028
flat angles C4'-P-C4' energy: -29.443
flat angles P-C4'-P energy: -5.526
tors. eta vs tors. theta energy: -11.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -154.201132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.201132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.201132 (E_RNA)
where:
Base-Base interactions energy: -66.580
where: short stacking energy: -55.006
Base-Backbone interact. energy: -0.584
local terms energy: -87.037735
where:
bonds (distance) C4'-P energy: -21.859
bonds (distance) P-C4' energy: -28.855
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -14.978
tors. eta vs tors. theta energy: -4.389
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)
replica 9 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 52021251
moves confirmed later: 62594840
all moves confirmed: 114616091
percent of confirmed moves: 14.327011
current total energy: -504.179082
recalc. total energy: -504.179082
replica 6 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 22202946
moves confirmed later: 23451798
all moves confirmed: 45654744
percent of confirmed moves: 5.706843
current total energy: -473.463241
recalc. total energy: -473.463241
replica 2 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 22587801
moves confirmed later: 24304234
all moves confirmed: 46892035
percent of confirmed moves: 5.861504
current total energy: -445.041635
recalc. total energy: -445.041635
replica 10 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 28287821
moves confirmed later: 31620566
all moves confirmed: 59908387
percent of confirmed moves: 7.488548
current total energy: -420.812365
recalc. total energy: -420.812365
replica 4 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 50524190
moves confirmed later: 60711271
all moves confirmed: 111235461
percent of confirmed moves: 13.904433
current total energy: -431.297182
recalc. total energy: -431.297182
replica 7 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 33027354
moves confirmed later: 37808848
all moves confirmed: 70836202
percent of confirmed moves: 8.854525
current total energy: -356.265344
recalc. total energy: -356.265344
replica 1 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 33564129
moves confirmed later: 38478177
all moves confirmed: 72042306
percent of confirmed moves: 9.005288
current total energy: -269.816644
recalc. total energy: -269.816644
replica 3 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 38740520
moves confirmed later: 45381359
all moves confirmed: 84121879
percent of confirmed moves: 10.515235
current total energy: -240.761636
recalc. total energy: -240.761636
replica 5 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 40304071
moves confirmed later: 47308695
all moves confirmed: 87612766
percent of confirmed moves: 10.951596
current total energy: -82.848770
recalc. total energy: -82.848770
replica 8 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 44286554
moves confirmed later: 52609814
all moves confirmed: 96896368
percent of confirmed moves: 12.112046
current total energy: -24.500992
recalc. total energy: -24.500992
out arg RESULTS//1/test-c326dcf5_01
Time of doing 8000000 iterations: 6324.617 seconds