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/VL30_22mer_extended-390bfc49/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/VL30_22mer_extended-390bfc49/inputs/seq.fa: 1
curr_seq: _CAGAUCAACAGCUGCCCUGCCUCCCACUCCAACUCCAGAGAGCAGCCAGCGGGUCACAGUGGUCCCGCCCAUGAACCUGGAGCCUAGGGAAAAAUGAGCUCGGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGAUCAACAGCUGCCCUGCCUCCCACUCCAACUCCAGAGAGCAGCCAGCGGGUCACAGUGGUCCCGCCCAUGAACCUGGAGCCUAGGGAAAAAUGAGCUCGGA
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 104 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: 525
n_atoms_counter: 525
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 104.000000 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/VL30_22mer_extended-390bfc49/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/VL30_22mer_extended-390bfc49/inputs/seq.fa: 1
curr_seq: _CAGAUCAACAGCUGCCCUGCCUCCCACUCCAACUCCAGAGAGCAGCCAGCGGGUCACAGUGGUCCCGCCCAUGAACCUGGAGCCUAGGGAAAAAUGAGCUCGGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGAUCAACAGCUGCCCUGCCUCCCACUCCAACUCCAGAGAGCAGCCAGCGGGUCACAGUGGUCCCGCCCAUGAACCUGGAGCCUAGGGAAAAAUGAGCUCGGA
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 104 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: 525
n_atoms_counter: 525
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 104.000000 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/VL30_22mer_extended-390bfc49/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/VL30_22mer_extended-390bfc49/inputs/seq.fa: 1
curr_seq: _CAGAUCAACAGCUGCCCUGCCUCCCACUCCAACUCCAGAGAGCAGCCAGCGGGUCACAGUGGUCCCGCCCAUGAACCUGGAGCCUAGGGAAAAAUGAGCUCGGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGAUCAACAGCUGCCCUGCCUCCCACUCCAACUCCAGAGAGCAGCCAGCGGGUCACAGUGGUCCCGCCCAUGAACCUGGAGCCUAGGGAAAAAUGAGCUCGGA
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 104 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: 525
n_atoms_counter: 525
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 104.000000 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/VL30_22mer_extended-390bfc49/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/VL30_22mer_extended-390bfc49/inputs/seq.fa: 1
curr_seq: _CAGAUCAACAGCUGCCCUGCCUCCCACUCCAACUCCAGAGAGCAGCCAGCGGGUCACAGUGGUCCCGCCCAUGAACCUGGAGCCUAGGGAAAAAUGAGCUCGGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGAUCAACAGCUGCCCUGCCUCCCACUCCAACUCCAGAGAGCAGCCAGCGGGUCACAGUGGUCCCGCCCAUGAACCUGGAGCCUAGGGAAAAAUGAGCUCGGA
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 104 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: 525
n_atoms_counter: 525
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 104.000000 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/VL30_22mer_extended-390bfc49/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/VL30_22mer_extended-390bfc49/inputs/seq.fa: 1
curr_seq: _CAGAUCAACAGCUGCCCUGCCUCCCACUCCAACUCCAGAGAGCAGCCAGCGGGUCACAGUGGUCCCGCCCAUGAACCUGGAGCCUAGGGAAAAAUGAGCUCGGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGAUCAACAGCUGCCCUGCCUCCCACUCCAACUCCAGAGAGCAGCCAGCGGGUCACAGUGGUCCCGCCCAUGAACCUGGAGCCUAGGGAAAAAUGAGCUCGGA
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 104 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: 525
n_atoms_counter: 525
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 104.000000 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/VL30_22mer_extended-390bfc49/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/VL30_22mer_extended-390bfc49/inputs/seq.fa: 1
curr_seq: _CAGAUCAACAGCUGCCCUGCCUCCCACUCCAACUCCAGAGAGCAGCCAGCGGGUCACAGUGGUCCCGCCCAUGAACCUGGAGCCUAGGGAAAAAUGAGCUCGGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGAUCAACAGCUGCCCUGCCUCCCACUCCAACUCCAGAGAGCAGCCAGCGGGUCACAGUGGUCCCGCCCAUGAACCUGGAGCCUAGGGAAAAAUGAGCUCGGA
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 104 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: 525
n_atoms_counter: 525
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 104.000000 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/VL30_22mer_extended-390bfc49/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/VL30_22mer_extended-390bfc49/inputs/seq.fa: 1
curr_seq: _CAGAUCAACAGCUGCCCUGCCUCCCACUCCAACUCCAGAGAGCAGCCAGCGGGUCACAGUGGUCCCGCCCAUGAACCUGGAGCCUAGGGAAAAAUGAGCUCGGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGAUCAACAGCUGCCCUGCCUCCCACUCCAACUCCAGAGAGCAGCCAGCGGGUCACAGUGGUCCCGCCCAUGAACCUGGAGCCUAGGGAAAAAUGAGCUCGGA
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 104 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: 525
n_atoms_counter: 525
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 104.000000 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/VL30_22mer_extended-390bfc49/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/VL30_22mer_extended-390bfc49/inputs/seq.fa: 1
curr_seq: _CAGAUCAACAGCUGCCCUGCCUCCCACUCCAACUCCAGAGAGCAGCCAGCGGGUCACAGUGGUCCCGCCCAUGAACCUGGAGCCUAGGGAAAAAUGAGCUCGGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGAUCAACAGCUGCCCUGCCUCCCACUCCAACUCCAGAGAGCAGCCAGCGGGUCACAGUGGUCCCGCCCAUGAACCUGGAGCCUAGGGAAAAAUGAGCUCGGA
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 104 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: 525
n_atoms_counter: 525
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 104.000000 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/VL30_22mer_extended-390bfc49/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/VL30_22mer_extended-390bfc49/inputs/seq.fa: 1
curr_seq: _CAGAUCAACAGCUGCCCUGCCUCCCACUCCAACUCCAGAGAGCAGCCAGCGGGUCACAGUGGUCCCGCCCAUGAACCUGGAGCCUAGGGAAAAAUGAGCUCGGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGAUCAACAGCUGCCCUGCCUCCCACUCCAACUCCAGAGAGCAGCCAGCGGGUCACAGUGGUCCCGCCCAUGAACCUGGAGCCUAGGGAAAAAUGAGCUCGGA
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 104 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: 525
n_atoms_counter: 525
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 104.000000 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/VL30_22mer_extended-390bfc49/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/VL30_22mer_extended-390bfc49/inputs/seq.fa: 1
curr_seq: _CAGAUCAACAGCUGCCCUGCCUCCCACUCCAACUCCAGAGAGCAGCCAGCGGGUCACAGUGGUCCCGCCCAUGAACCUGGAGCCUAGGGAAAAAUGAGCUCGGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGAUCAACAGCUGCCCUGCCUCCCACUCCAACUCCAGAGAGCAGCCAGCGGGUCACAGUGGUCCCGCCCAUGAACCUGGAGCCUAGGGAAAAAUGAGCUCGGA
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 104 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: 525
n_atoms_counter: 525
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 104.000000 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: -414.798257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.798257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.798257 (E_RNA)
where:
Base-Base interactions energy: -9.792
where: short stacking energy: -9.792
Base-Backbone interact. energy: -0.000
local terms energy: -405.006460
where:
bonds (distance) C4'-P energy: -101.044
bonds (distance) P-C4' energy: -93.938
flat angles C4'-P-C4' energy: -76.359
flat angles P-C4'-P energy: -87.347
tors. eta vs tors. theta energy: -46.317
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: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -414.798257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.798257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.798257 (E_RNA)
where:
Base-Base interactions energy: -9.792
where: short stacking energy: -9.792
Base-Backbone interact. energy: -0.000
local terms energy: -405.006460
where:
bonds (distance) C4'-P energy: -101.044
bonds (distance) P-C4' energy: -93.938
flat angles C4'-P-C4' energy: -76.359
flat angles P-C4'-P energy: -87.347
tors. eta vs tors. theta energy: -46.317
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: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -414.798257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.798257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.798257 (E_RNA)
where:
Base-Base interactions energy: -9.792
where: short stacking energy: -9.792
Base-Backbone interact. energy: -0.000
local terms energy: -405.006460
where:
bonds (distance) C4'-P energy: -101.044
bonds (distance) P-C4' energy: -93.938
flat angles C4'-P-C4' energy: -76.359
flat angles P-C4'-P energy: -87.347
tors. eta vs tors. theta energy: -46.317
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: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -414.798257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.798257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.798257 (E_RNA)
where:
Base-Base interactions energy: -9.792
where: short stacking energy: -9.792
Base-Backbone interact. energy: -0.000
local terms energy: -405.006460
where:
bonds (distance) C4'-P energy: -101.044
bonds (distance) P-C4' energy: -93.938
flat angles C4'-P-C4' energy: -76.359
flat angles P-C4'-P energy: -87.347
tors. eta vs tors. theta energy: -46.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -414.798257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.798257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.798257 (E_RNA)
where:
Base-Base interactions energy: -9.792
where: short stacking energy: -9.792
Base-Backbone interact. energy: -0.000
local terms energy: -405.006460
where:
bonds (distance) C4'-P energy: -101.044
bonds (distance) P-C4' energy: -93.938
flat angles C4'-P-C4' energy: -76.359
flat angles P-C4'-P energy: -87.347
tors. eta vs tors. theta energy: -46.317
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: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -414.798257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.798257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.798257 (E_RNA)
where:
Base-Base interactions energy: -9.792
where: short stacking energy: -9.792
Base-Backbone interact. energy: -0.000
local terms energy: -405.006460
where:
bonds (distance) C4'-P energy: -101.044
bonds (distance) P-C4' energy: -93.938
flat angles C4'-P-C4' energy: -76.359
flat angles P-C4'-P energy: -87.347
tors. eta vs tors. theta energy: -46.317
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: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -414.798257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.798257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.798257 (E_RNA)
where:
Base-Base interactions energy: -9.792
where: short stacking energy: -9.792
Base-Backbone interact. energy: -0.000
local terms energy: -405.006460
where:
bonds (distance) C4'-P energy: -101.044
bonds (distance) P-C4' energy: -93.938
flat angles C4'-P-C4' energy: -76.359
flat angles P-C4'-P energy: -87.347
tors. eta vs tors. theta energy: -46.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -414.798257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.798257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.798257 (E_RNA)
where:
Base-Base interactions energy: -9.792
where: short stacking energy: -9.792
Base-Backbone interact. energy: -0.000
local terms energy: -405.006460
where:
bonds (distance) C4'-P energy: -101.044
bonds (distance) P-C4' energy: -93.938
flat angles C4'-P-C4' energy: -76.359
flat angles P-C4'-P energy: -87.347
tors. eta vs tors. theta energy: -46.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -414.798257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.798257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.798257 (E_RNA)
where:
Base-Base interactions energy: -9.792
where: short stacking energy: -9.792
Base-Backbone interact. energy: -0.000
local terms energy: -405.006460
where:
bonds (distance) C4'-P energy: -101.044
bonds (distance) P-C4' energy: -93.938
flat angles C4'-P-C4' energy: -76.359
flat angles P-C4'-P energy: -87.347
tors. eta vs tors. theta energy: -46.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -414.798257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.798257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.798257 (E_RNA)
where:
Base-Base interactions energy: -9.792
where: short stacking energy: -9.792
Base-Backbone interact. energy: -0.000
local terms energy: -405.006460
where:
bonds (distance) C4'-P energy: -101.044
bonds (distance) P-C4' energy: -93.938
flat angles C4'-P-C4' energy: -76.359
flat angles P-C4'-P energy: -87.347
tors. eta vs tors. theta energy: -46.317
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: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -549.438432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.438432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.438432 (E_RNA)
where:
Base-Base interactions energy: -248.105
where: short stacking energy: -231.597
Base-Backbone interact. energy: -0.483
local terms energy: -300.850214
where:
bonds (distance) C4'-P energy: -62.398
bonds (distance) P-C4' energy: -67.058
flat angles C4'-P-C4' energy: -63.523
flat angles P-C4'-P energy: -46.386
tors. eta vs tors. theta energy: -61.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -554.752407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.752407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.752407 (E_RNA)
where:
Base-Base interactions energy: -257.269
where: short stacking energy: -255.654
Base-Backbone interact. energy: -0.149
local terms energy: -297.334816
where:
bonds (distance) C4'-P energy: -62.963
bonds (distance) P-C4' energy: -68.623
flat angles C4'-P-C4' energy: -66.198
flat angles P-C4'-P energy: -38.886
tors. eta vs tors. theta energy: -60.666
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: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -471.642245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.642245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.642245 (E_RNA)
where:
Base-Base interactions energy: -204.261
where: short stacking energy: -196.283
Base-Backbone interact. energy: 1.019
local terms energy: -268.400666
where:
bonds (distance) C4'-P energy: -59.060
bonds (distance) P-C4' energy: -68.980
flat angles C4'-P-C4' energy: -63.230
flat angles P-C4'-P energy: -36.921
tors. eta vs tors. theta energy: -40.209
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: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -465.251426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.251426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.251426 (E_RNA)
where:
Base-Base interactions energy: -197.719
where: short stacking energy: -182.693
Base-Backbone interact. energy: -1.068
local terms energy: -266.464258
where:
bonds (distance) C4'-P energy: -53.682
bonds (distance) P-C4' energy: -71.749
flat angles C4'-P-C4' energy: -64.079
flat angles P-C4'-P energy: -46.156
tors. eta vs tors. theta energy: -30.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -419.735557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.735557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.735557 (E_RNA)
where:
Base-Base interactions energy: -161.645
where: short stacking energy: -159.624
Base-Backbone interact. energy: -0.090
local terms energy: -258.000623
where:
bonds (distance) C4'-P energy: -61.755
bonds (distance) P-C4' energy: -63.546
flat angles C4'-P-C4' energy: -63.236
flat angles P-C4'-P energy: -34.239
tors. eta vs tors. theta energy: -35.224
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: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -417.880585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.880585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.880585 (E_RNA)
where:
Base-Base interactions energy: -16.487
where: short stacking energy: -16.487
Base-Backbone interact. energy: -0.000
local terms energy: -401.393115
where:
bonds (distance) C4'-P energy: -98.763
bonds (distance) P-C4' energy: -93.677
flat angles C4'-P-C4' energy: -75.437
flat angles P-C4'-P energy: -87.188
tors. eta vs tors. theta energy: -46.328
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: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -418.061502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.061502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.061502 (E_RNA)
where:
Base-Base interactions energy: -16.668
where: short stacking energy: -16.668
Base-Backbone interact. energy: -0.000
local terms energy: -401.393115
where:
bonds (distance) C4'-P energy: -98.763
bonds (distance) P-C4' energy: -93.677
flat angles C4'-P-C4' energy: -75.437
flat angles P-C4'-P energy: -87.188
tors. eta vs tors. theta energy: -46.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -417.114228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.114228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.114228 (E_RNA)
where:
Base-Base interactions energy: -16.667
where: short stacking energy: -16.667
Base-Backbone interact. energy: -0.000
local terms energy: -400.447559
where:
bonds (distance) C4'-P energy: -97.902
bonds (distance) P-C4' energy: -93.677
flat angles C4'-P-C4' energy: -75.437
flat angles P-C4'-P energy: -87.103
tors. eta vs tors. theta energy: -46.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -417.051734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.051734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.051734 (E_RNA)
where:
Base-Base interactions energy: -16.848
where: short stacking energy: -16.848
Base-Backbone interact. energy: -0.000
local terms energy: -400.203265
where:
bonds (distance) C4'-P energy: -97.902
bonds (distance) P-C4' energy: -93.677
flat angles C4'-P-C4' energy: -75.193
flat angles P-C4'-P energy: -87.103
tors. eta vs tors. theta energy: -46.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -422.423552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.423552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.423552 (E_RNA)
where:
Base-Base interactions energy: -53.388
where: short stacking energy: -53.388
Base-Backbone interact. energy: -0.000
local terms energy: -369.034998
where:
bonds (distance) C4'-P energy: -87.864
bonds (distance) P-C4' energy: -73.235
flat angles C4'-P-C4' energy: -74.780
flat angles P-C4'-P energy: -84.072
tors. eta vs tors. theta energy: -49.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -706.646001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.646001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.646001 (E_RNA)
where:
Base-Base interactions energy: -387.752
where: short stacking energy: -238.335
Base-Backbone interact. energy: 0.747
local terms energy: -319.641623
where:
bonds (distance) C4'-P energy: -63.199
bonds (distance) P-C4' energy: -74.182
flat angles C4'-P-C4' energy: -64.369
flat angles P-C4'-P energy: -52.906
tors. eta vs tors. theta energy: -64.986
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: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -570.557648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.557648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.557648 (E_RNA)
where:
Base-Base interactions energy: -278.024
where: short stacking energy: -252.130
Base-Backbone interact. energy: 0.214
local terms energy: -292.747082
where:
bonds (distance) C4'-P energy: -57.450
bonds (distance) P-C4' energy: -68.475
flat angles C4'-P-C4' energy: -62.952
flat angles P-C4'-P energy: -43.580
tors. eta vs tors. theta energy: -60.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -521.123140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.123140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.123140 (E_RNA)
where:
Base-Base interactions energy: -238.691
where: short stacking energy: -206.510
Base-Backbone interact. energy: -0.439
local terms energy: -281.992841
where:
bonds (distance) C4'-P energy: -57.962
bonds (distance) P-C4' energy: -65.920
flat angles C4'-P-C4' energy: -71.794
flat angles P-C4'-P energy: -44.868
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: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -503.921575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.921575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.921575 (E_RNA)
where:
Base-Base interactions energy: -290.952
where: short stacking energy: -176.149
Base-Backbone interact. energy: 0.223
local terms energy: -213.192330
where:
bonds (distance) C4'-P energy: -56.712
bonds (distance) P-C4' energy: -53.050
flat angles C4'-P-C4' energy: -53.794
flat angles P-C4'-P energy: -30.589
tors. eta vs tors. theta energy: -19.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -437.309202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.309202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.309202 (E_RNA)
where:
Base-Base interactions energy: -198.210
where: short stacking energy: -151.274
Base-Backbone interact. energy: -1.927
local terms energy: -237.171905
where:
bonds (distance) C4'-P energy: -62.751
bonds (distance) P-C4' energy: -69.604
flat angles C4'-P-C4' energy: -48.965
flat angles P-C4'-P energy: -36.703
tors. eta vs tors. theta energy: -19.149
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: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -436.545074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.545074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.545074 (E_RNA)
where:
Base-Base interactions energy: -207.279
where: short stacking energy: -159.605
Base-Backbone interact. energy: 0.928
local terms energy: -230.194179
where:
bonds (distance) C4'-P energy: -53.323
bonds (distance) P-C4' energy: -65.283
flat angles C4'-P-C4' energy: -56.322
flat angles P-C4'-P energy: -37.475
tors. eta vs tors. theta energy: -17.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -372.738260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.738260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.738260 (E_RNA)
where:
Base-Base interactions energy: -141.360
where: short stacking energy: -116.113
Base-Backbone interact. energy: -2.340
local terms energy: -229.038880
where:
bonds (distance) C4'-P energy: -55.100
bonds (distance) P-C4' energy: -61.991
flat angles C4'-P-C4' energy: -61.377
flat angles P-C4'-P energy: -34.946
tors. eta vs tors. theta energy: -15.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -331.416861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.416861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.416861 (E_RNA)
where:
Base-Base interactions energy: -127.534
where: short stacking energy: -108.533
Base-Backbone interact. energy: -0.850
local terms energy: -203.032858
where:
bonds (distance) C4'-P energy: -62.649
bonds (distance) P-C4' energy: -65.539
flat angles C4'-P-C4' energy: -37.342
flat angles P-C4'-P energy: -25.990
tors. eta vs tors. theta energy: -11.512
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: 3
Temperature: 1.300000
Total energy: -290.592338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.592338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.592338 (E_RNA)
where:
Base-Base interactions energy: -93.068
where: short stacking energy: -79.169
Base-Backbone interact. energy: -0.125
local terms energy: -197.399155
where:
bonds (distance) C4'-P energy: -60.749
bonds (distance) P-C4' energy: -56.373
flat angles C4'-P-C4' energy: -51.432
flat angles P-C4'-P energy: -31.807
tors. eta vs tors. theta energy: 2.962
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: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -296.257325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.257325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.257325 (E_RNA)
where:
Base-Base interactions energy: -119.218
where: short stacking energy: -89.105
Base-Backbone interact. energy: 0.842
local terms energy: -177.881692
where:
bonds (distance) C4'-P energy: -51.708
bonds (distance) P-C4' energy: -44.430
flat angles C4'-P-C4' energy: -47.552
flat angles P-C4'-P energy: -34.413
tors. eta vs tors. theta energy: 0.222
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: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -764.970478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.970478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.970478 (E_RNA)
where:
Base-Base interactions energy: -454.228
where: short stacking energy: -262.203
Base-Backbone interact. energy: -0.323
local terms energy: -310.419233
where:
bonds (distance) C4'-P energy: -60.169
bonds (distance) P-C4' energy: -71.856
flat angles C4'-P-C4' energy: -74.281
flat angles P-C4'-P energy: -44.163
tors. eta vs tors. theta energy: -59.950
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: 4
Temperature: 0.950000
Total energy: -664.470556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.470556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.470556 (E_RNA)
where:
Base-Base interactions energy: -364.115
where: short stacking energy: -226.050
Base-Backbone interact. energy: -2.163
local terms energy: -298.192685
where:
bonds (distance) C4'-P energy: -64.494
bonds (distance) P-C4' energy: -74.788
flat angles C4'-P-C4' energy: -64.601
flat angles P-C4'-P energy: -48.334
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: 4
Temperature: 1.000000
Total energy: -654.181085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.181085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.181085 (E_RNA)
where:
Base-Base interactions energy: -379.611
where: short stacking energy: -216.687
Base-Backbone interact. energy: -1.550
local terms energy: -273.020106
where:
bonds (distance) C4'-P energy: -62.193
bonds (distance) P-C4' energy: -62.055
flat angles C4'-P-C4' energy: -51.797
flat angles P-C4'-P energy: -42.438
tors. eta vs tors. theta energy: -54.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -471.885561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.885561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.885561 (E_RNA)
where:
Base-Base interactions energy: -220.055
where: short stacking energy: -168.946
Base-Backbone interact. energy: -1.087
local terms energy: -250.743330
where:
bonds (distance) C4'-P energy: -59.008
bonds (distance) P-C4' energy: -66.919
flat angles C4'-P-C4' energy: -52.680
flat angles P-C4'-P energy: -44.580
tors. eta vs tors. theta energy: -27.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -530.376296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.376296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.376296 (E_RNA)
where:
Base-Base interactions energy: -285.778
where: short stacking energy: -192.338
Base-Backbone interact. energy: 0.654
local terms energy: -245.252263
where:
bonds (distance) C4'-P energy: -54.356
bonds (distance) P-C4' energy: -64.735
flat angles C4'-P-C4' energy: -65.386
flat angles P-C4'-P energy: -33.863
tors. eta vs tors. theta energy: -26.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -466.383008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.383008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.383008 (E_RNA)
where:
Base-Base interactions energy: -270.636
where: short stacking energy: -153.653
Base-Backbone interact. energy: -1.389
local terms energy: -194.357969
where:
bonds (distance) C4'-P energy: -48.018
bonds (distance) P-C4' energy: -57.393
flat angles C4'-P-C4' energy: -47.254
flat angles P-C4'-P energy: -30.311
tors. eta vs tors. theta energy: -11.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -404.329636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.329636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.329636 (E_RNA)
where:
Base-Base interactions energy: -198.404
where: short stacking energy: -150.652
Base-Backbone interact. energy: -0.936
local terms energy: -204.989384
where:
bonds (distance) C4'-P energy: -46.120
bonds (distance) P-C4' energy: -48.545
flat angles C4'-P-C4' energy: -52.532
flat angles P-C4'-P energy: -39.010
tors. eta vs tors. theta energy: -18.783
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: 8, replica: 8
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -333.058628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.058628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.058628 (E_RNA)
where:
Base-Base interactions energy: -120.572
where: short stacking energy: -104.725
Base-Backbone interact. energy: 3.472
local terms energy: -215.958657
where:
bonds (distance) C4'-P energy: -57.083
bonds (distance) P-C4' energy: -59.143
flat angles C4'-P-C4' energy: -56.718
flat angles P-C4'-P energy: -46.778
tors. eta vs tors. theta energy: 3.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -286.071229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.071229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.071229 (E_RNA)
where:
Base-Base interactions energy: -129.794
where: short stacking energy: -96.793
Base-Backbone interact. energy: 1.605
local terms energy: -157.881860
where:
bonds (distance) C4'-P energy: -44.040
bonds (distance) P-C4' energy: -46.292
flat angles C4'-P-C4' energy: -41.997
flat angles P-C4'-P energy: -29.952
tors. eta vs tors. theta energy: 4.398
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: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -302.489199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.489199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.489199 (E_RNA)
where:
Base-Base interactions energy: -132.233
where: short stacking energy: -89.608
Base-Backbone interact. energy: -0.534
local terms energy: -169.722435
where:
bonds (distance) C4'-P energy: -53.532
bonds (distance) P-C4' energy: -62.659
flat angles C4'-P-C4' energy: -40.069
flat angles P-C4'-P energy: -29.048
tors. eta vs tors. theta energy: 15.587
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: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -810.873236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.873236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.873236 (E_RNA)
where:
Base-Base interactions energy: -488.165
where: short stacking energy: -275.733
Base-Backbone interact. energy: -1.247
local terms energy: -321.460733
where:
bonds (distance) C4'-P energy: -67.162
bonds (distance) P-C4' energy: -61.399
flat angles C4'-P-C4' energy: -72.005
flat angles P-C4'-P energy: -45.883
tors. eta vs tors. theta energy: -75.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -741.558876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.558876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.558876 (E_RNA)
where:
Base-Base interactions energy: -437.950
where: short stacking energy: -223.730
Base-Backbone interact. energy: -0.532
local terms energy: -303.076638
where:
bonds (distance) C4'-P energy: -72.393
bonds (distance) P-C4' energy: -74.534
flat angles C4'-P-C4' energy: -62.043
flat angles P-C4'-P energy: -37.669
tors. eta vs tors. theta energy: -56.437
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: 3, replica: 2
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -651.389035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.389035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.389035 (E_RNA)
where:
Base-Base interactions energy: -386.400
where: short stacking energy: -204.645
Base-Backbone interact. energy: 2.207
local terms energy: -267.195805
where:
bonds (distance) C4'-P energy: -63.682
bonds (distance) P-C4' energy: -58.057
flat angles C4'-P-C4' energy: -62.429
flat angles P-C4'-P energy: -34.102
tors. eta vs tors. theta energy: -48.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -612.492654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.492654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.492654 (E_RNA)
where:
Base-Base interactions energy: -351.190
where: short stacking energy: -203.043
Base-Backbone interact. energy: -0.398
local terms energy: -260.905019
where:
bonds (distance) C4'-P energy: -63.929
bonds (distance) P-C4' energy: -62.697
flat angles C4'-P-C4' energy: -52.884
flat angles P-C4'-P energy: -34.095
tors. eta vs tors. theta energy: -47.300
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: 3
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -422.267010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.267010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.267010 (E_RNA)
where:
Base-Base interactions energy: -178.608
where: short stacking energy: -164.318
Base-Backbone interact. energy: -0.519
local terms energy: -243.140195
where:
bonds (distance) C4'-P energy: -55.651
bonds (distance) P-C4' energy: -63.767
flat angles C4'-P-C4' energy: -60.083
flat angles P-C4'-P energy: -34.906
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: 6, replica: 5
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -576.910626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.910626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.910626 (E_RNA)
where:
Base-Base interactions energy: -323.908
where: short stacking energy: -184.846
Base-Backbone interact. energy: -1.002
local terms energy: -252.000467
where:
bonds (distance) C4'-P energy: -63.395
bonds (distance) P-C4' energy: -49.502
flat angles C4'-P-C4' energy: -59.224
flat angles P-C4'-P energy: -40.848
tors. eta vs tors. theta energy: -39.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -440.453955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.453955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.453955 (E_RNA)
where:
Base-Base interactions energy: -224.529
where: short stacking energy: -116.676
Base-Backbone interact. energy: -1.450
local terms energy: -214.475255
where:
bonds (distance) C4'-P energy: -51.272
bonds (distance) P-C4' energy: -64.184
flat angles C4'-P-C4' energy: -59.980
flat angles P-C4'-P energy: -27.057
tors. eta vs tors. theta energy: -11.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -339.302097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.302097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.302097 (E_RNA)
where:
Base-Base interactions energy: -107.845
where: short stacking energy: -104.272
Base-Backbone interact. energy: 0.845
local terms energy: -232.302297
where:
bonds (distance) C4'-P energy: -63.221
bonds (distance) P-C4' energy: -57.840
flat angles C4'-P-C4' energy: -66.590
flat angles P-C4'-P energy: -30.632
tors. eta vs tors. theta energy: -14.019
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: 5
Temperature: 1.300000
Total energy: -295.790380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.790380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.790380 (E_RNA)
where:
Base-Base interactions energy: -116.798
where: short stacking energy: -83.742
Base-Backbone interact. energy: -0.320
local terms energy: -178.672902
where:
bonds (distance) C4'-P energy: -59.144
bonds (distance) P-C4' energy: -57.386
flat angles C4'-P-C4' energy: -46.483
flat angles P-C4'-P energy: -27.761
tors. eta vs tors. theta energy: 12.101
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: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -329.960554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.960554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.960554 (E_RNA)
where:
Base-Base interactions energy: -152.119
where: short stacking energy: -89.041
Base-Backbone interact. energy: -0.753
local terms energy: -177.089044
where:
bonds (distance) C4'-P energy: -52.569
bonds (distance) P-C4' energy: -57.604
flat angles C4'-P-C4' energy: -41.192
flat angles P-C4'-P energy: -28.909
tors. eta vs tors. theta energy: 3.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -830.699667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.699667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.699667 (E_RNA)
where:
Base-Base interactions energy: -514.830
where: short stacking energy: -274.430
Base-Backbone interact. energy: -1.814
local terms energy: -314.055729
where:
bonds (distance) C4'-P energy: -56.740
bonds (distance) P-C4' energy: -70.126
flat angles C4'-P-C4' energy: -77.917
flat angles P-C4'-P energy: -41.539
tors. eta vs tors. theta energy: -67.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -777.308038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.308038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.308038 (E_RNA)
where:
Base-Base interactions energy: -481.828
where: short stacking energy: -262.760
Base-Backbone interact. energy: -0.415
local terms energy: -295.064432
where:
bonds (distance) C4'-P energy: -58.109
bonds (distance) P-C4' energy: -66.630
flat angles C4'-P-C4' energy: -60.689
flat angles P-C4'-P energy: -39.795
tors. eta vs tors. theta energy: -69.841
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: 2
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -675.992688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.992688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.992688 (E_RNA)
where:
Base-Base interactions energy: -414.724
where: short stacking energy: -219.853
Base-Backbone interact. energy: -2.225
local terms energy: -259.043618
where:
bonds (distance) C4'-P energy: -58.219
bonds (distance) P-C4' energy: -62.642
flat angles C4'-P-C4' energy: -58.081
flat angles P-C4'-P energy: -36.050
tors. eta vs tors. theta energy: -44.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -692.741870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.741870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.741870 (E_RNA)
where:
Base-Base interactions energy: -397.254
where: short stacking energy: -245.400
Base-Backbone interact. energy: -0.236
local terms energy: -295.252260
where:
bonds (distance) C4'-P energy: -50.479
bonds (distance) P-C4' energy: -61.812
flat angles C4'-P-C4' energy: -61.772
flat angles P-C4'-P energy: -54.164
tors. eta vs tors. theta energy: -67.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -641.251550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.251550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.251550 (E_RNA)
where:
Base-Base interactions energy: -402.407
where: short stacking energy: -185.751
Base-Backbone interact. energy: -1.391
local terms energy: -237.453551
where:
bonds (distance) C4'-P energy: -53.025
bonds (distance) P-C4' energy: -56.960
flat angles C4'-P-C4' energy: -58.645
flat angles P-C4'-P energy: -39.210
tors. eta vs tors. theta energy: -29.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -442.040603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.040603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.040603 (E_RNA)
where:
Base-Base interactions energy: -201.482
where: short stacking energy: -160.753
Base-Backbone interact. energy: -1.251
local terms energy: -239.307530
where:
bonds (distance) C4'-P energy: -59.943
bonds (distance) P-C4' energy: -60.867
flat angles C4'-P-C4' energy: -47.635
flat angles P-C4'-P energy: -37.185
tors. eta vs tors. theta energy: -33.678
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: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -395.905695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.905695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.905695 (E_RNA)
where:
Base-Base interactions energy: -174.072
where: short stacking energy: -107.180
Base-Backbone interact. energy: 0.987
local terms energy: -222.820645
where:
bonds (distance) C4'-P energy: -51.241
bonds (distance) P-C4' energy: -58.452
flat angles C4'-P-C4' energy: -64.071
flat angles P-C4'-P energy: -40.355
tors. eta vs tors. theta energy: -8.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -436.962937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.962937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.962937 (E_RNA)
where:
Base-Base interactions energy: -224.855
where: short stacking energy: -120.073
Base-Backbone interact. energy: 1.296
local terms energy: -213.404732
where:
bonds (distance) C4'-P energy: -49.000
bonds (distance) P-C4' energy: -66.783
flat angles C4'-P-C4' energy: -64.606
flat angles P-C4'-P energy: -21.001
tors. eta vs tors. theta energy: -12.016
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: 9, replica: 9
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -357.607330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.607330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.607330 (E_RNA)
where:
Base-Base interactions energy: -166.761
where: short stacking energy: -95.545
Base-Backbone interact. energy: -0.523
local terms energy: -190.324118
where:
bonds (distance) C4'-P energy: -52.535
bonds (distance) P-C4' energy: -54.160
flat angles C4'-P-C4' energy: -49.284
flat angles P-C4'-P energy: -26.674
tors. eta vs tors. theta energy: -7.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -295.714671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.714671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.714671 (E_RNA)
where:
Base-Base interactions energy: -106.512
where: short stacking energy: -70.897
Base-Backbone interact. energy: 1.283
local terms energy: -190.485045
where:
bonds (distance) C4'-P energy: -57.830
bonds (distance) P-C4' energy: -66.133
flat angles C4'-P-C4' energy: -49.756
flat angles P-C4'-P energy: -29.127
tors. eta vs tors. theta energy: 12.360
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: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -834.267003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.267003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.267003 (E_RNA)
where:
Base-Base interactions energy: -538.711
where: short stacking energy: -288.539
Base-Backbone interact. energy: -1.715
local terms energy: -293.841879
where:
bonds (distance) C4'-P energy: -57.353
bonds (distance) P-C4' energy: -66.853
flat angles C4'-P-C4' energy: -67.880
flat angles P-C4'-P energy: -42.376
tors. eta vs tors. theta energy: -59.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -793.310868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.310868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.310868 (E_RNA)
where:
Base-Base interactions energy: -471.337
where: short stacking energy: -250.765
Base-Backbone interact. energy: -0.335
local terms energy: -321.638869
where:
bonds (distance) C4'-P energy: -69.382
bonds (distance) P-C4' energy: -66.764
flat angles C4'-P-C4' energy: -68.129
flat angles P-C4'-P energy: -43.000
tors. eta vs tors. theta energy: -74.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -678.328552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.328552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.328552 (E_RNA)
where:
Base-Base interactions energy: -398.845
where: short stacking energy: -215.194
Base-Backbone interact. energy: -1.424
local terms energy: -278.059110
where:
bonds (distance) C4'-P energy: -65.075
bonds (distance) P-C4' energy: -57.940
flat angles C4'-P-C4' energy: -67.499
flat angles P-C4'-P energy: -43.859
tors. eta vs tors. theta energy: -43.686
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: 5
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -689.522541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.522541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.522541 (E_RNA)
where:
Base-Base interactions energy: -422.135
where: short stacking energy: -209.929
Base-Backbone interact. energy: 0.362
local terms energy: -267.748725
where:
bonds (distance) C4'-P energy: -69.341
bonds (distance) P-C4' energy: -58.646
flat angles C4'-P-C4' energy: -56.670
flat angles P-C4'-P energy: -39.615
tors. eta vs tors. theta energy: -43.475
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: 6
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -640.449072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.449072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.449072 (E_RNA)
where:
Base-Base interactions energy: -381.195
where: short stacking energy: -193.655
Base-Backbone interact. energy: -2.594
local terms energy: -256.660468
where:
bonds (distance) C4'-P energy: -65.358
bonds (distance) P-C4' energy: -54.468
flat angles C4'-P-C4' energy: -63.096
flat angles P-C4'-P energy: -22.030
tors. eta vs tors. theta energy: -51.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -494.027112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.027112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.027112 (E_RNA)
where:
Base-Base interactions energy: -272.985
where: short stacking energy: -163.735
Base-Backbone interact. energy: 0.385
local terms energy: -221.427158
where:
bonds (distance) C4'-P energy: -54.024
bonds (distance) P-C4' energy: -52.452
flat angles C4'-P-C4' energy: -61.421
flat angles P-C4'-P energy: -27.966
tors. eta vs tors. theta energy: -25.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -388.521258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.521258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.521258 (E_RNA)
where:
Base-Base interactions energy: -173.152
where: short stacking energy: -123.297
Base-Backbone interact. energy: 0.093
local terms energy: -215.461882
where:
bonds (distance) C4'-P energy: -51.906
bonds (distance) P-C4' energy: -65.005
flat angles C4'-P-C4' energy: -61.474
flat angles P-C4'-P energy: -29.390
tors. eta vs tors. theta energy: -7.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -449.091578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.091578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.091578 (E_RNA)
where:
Base-Base interactions energy: -230.041
where: short stacking energy: -119.740
Base-Backbone interact. energy: -1.521
local terms energy: -217.529147
where:
bonds (distance) C4'-P energy: -55.885
bonds (distance) P-C4' energy: -60.251
flat angles C4'-P-C4' energy: -54.844
flat angles P-C4'-P energy: -40.195
tors. eta vs tors. theta energy: -6.353
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: 9, replica: 9
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -385.975895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.975895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.975895 (E_RNA)
where:
Base-Base interactions energy: -196.728
where: short stacking energy: -110.578
Base-Backbone interact. energy: -1.454
local terms energy: -187.793946
where:
bonds (distance) C4'-P energy: -52.888
bonds (distance) P-C4' energy: -62.062
flat angles C4'-P-C4' energy: -56.715
flat angles P-C4'-P energy: -23.312
tors. eta vs tors. theta energy: 7.183
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: 10, replica: 8
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -285.899511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.899511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.899511 (E_RNA)
where:
Base-Base interactions energy: -95.933
where: short stacking energy: -74.959
Base-Backbone interact. energy: 1.037
local terms energy: -191.003673
where:
bonds (distance) C4'-P energy: -60.629
bonds (distance) P-C4' energy: -57.859
flat angles C4'-P-C4' energy: -53.438
flat angles P-C4'-P energy: -26.940
tors. eta vs tors. theta energy: 7.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -853.921222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.921222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.921222 (E_RNA)
where:
Base-Base interactions energy: -524.733
where: short stacking energy: -273.994
Base-Backbone interact. energy: -0.780
local terms energy: -328.408167
where:
bonds (distance) C4'-P energy: -69.276
bonds (distance) P-C4' energy: -65.393
flat angles C4'-P-C4' energy: -78.098
flat angles P-C4'-P energy: -43.186
tors. eta vs tors. theta energy: -72.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -811.541245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.541245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.541245 (E_RNA)
where:
Base-Base interactions energy: -498.745
where: short stacking energy: -263.311
Base-Backbone interact. energy: -0.413
local terms energy: -312.382913
where:
bonds (distance) C4'-P energy: -55.614
bonds (distance) P-C4' energy: -70.760
flat angles C4'-P-C4' energy: -74.335
flat angles P-C4'-P energy: -44.884
tors. eta vs tors. theta energy: -66.790
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: 3, replica: 2
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -749.335551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.335551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.335551 (E_RNA)
where:
Base-Base interactions energy: -454.260
where: short stacking energy: -235.975
Base-Backbone interact. energy: -0.385
local terms energy: -294.690942
where:
bonds (distance) C4'-P energy: -64.256
bonds (distance) P-C4' energy: -68.795
flat angles C4'-P-C4' energy: -64.543
flat angles P-C4'-P energy: -39.753
tors. eta vs tors. theta energy: -57.344
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: 8
Temperature: 1.050000
Total energy: -681.152159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.152159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.152159 (E_RNA)
where:
Base-Base interactions energy: -417.813
where: short stacking energy: -210.724
Base-Backbone interact. energy: 0.750
local terms energy: -264.089672
where:
bonds (distance) C4'-P energy: -57.585
bonds (distance) P-C4' energy: -57.500
flat angles C4'-P-C4' energy: -73.037
flat angles P-C4'-P energy: -35.795
tors. eta vs tors. theta energy: -40.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -661.516436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.516436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.516436 (E_RNA)
where:
Base-Base interactions energy: -395.451
where: short stacking energy: -221.572
Base-Backbone interact. energy: -1.668
local terms energy: -264.397937
where:
bonds (distance) C4'-P energy: -63.516
bonds (distance) P-C4' energy: -57.757
flat angles C4'-P-C4' energy: -51.499
flat angles P-C4'-P energy: -39.548
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: 6, replica: 10
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -578.413920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.413920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.413920 (E_RNA)
where:
Base-Base interactions energy: -341.397
where: short stacking energy: -201.630
Base-Backbone interact. energy: -0.068
local terms energy: -236.948770
where:
bonds (distance) C4'-P energy: -50.108
bonds (distance) P-C4' energy: -54.728
flat angles C4'-P-C4' energy: -58.828
flat angles P-C4'-P energy: -38.915
tors. eta vs tors. theta energy: -34.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -506.665832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.665832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.665832 (E_RNA)
where:
Base-Base interactions energy: -282.021
where: short stacking energy: -158.885
Base-Backbone interact. energy: -1.021
local terms energy: -223.624590
where:
bonds (distance) C4'-P energy: -61.336
bonds (distance) P-C4' energy: -57.255
flat angles C4'-P-C4' energy: -51.666
flat angles P-C4'-P energy: -40.409
tors. eta vs tors. theta energy: -12.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -399.849229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.849229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.849229 (E_RNA)
where:
Base-Base interactions energy: -175.620
where: short stacking energy: -116.779
Base-Backbone interact. energy: 2.308
local terms energy: -226.537108
where:
bonds (distance) C4'-P energy: -51.176
bonds (distance) P-C4' energy: -64.295
flat angles C4'-P-C4' energy: -57.839
flat angles P-C4'-P energy: -37.656
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: 9, replica: 9
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -441.752979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.752979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.752979 (E_RNA)
where:
Base-Base interactions energy: -234.221
where: short stacking energy: -120.933
Base-Backbone interact. energy: -0.870
local terms energy: -206.661503
where:
bonds (distance) C4'-P energy: -58.433
bonds (distance) P-C4' energy: -58.848
flat angles C4'-P-C4' energy: -42.169
flat angles P-C4'-P energy: -32.047
tors. eta vs tors. theta energy: -15.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -277.359868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.359868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.359868 (E_RNA)
where:
Base-Base interactions energy: -99.244
where: short stacking energy: -82.491
Base-Backbone interact. energy: 2.561
local terms energy: -180.676426
where:
bonds (distance) C4'-P energy: -56.828
bonds (distance) P-C4' energy: -61.107
flat angles C4'-P-C4' energy: -48.100
flat angles P-C4'-P energy: -25.986
tors. eta vs tors. theta energy: 11.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -868.712665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.712665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.712665 (E_RNA)
where:
Base-Base interactions energy: -548.574
where: short stacking energy: -289.499
Base-Backbone interact. energy: -0.681
local terms energy: -319.457565
where:
bonds (distance) C4'-P energy: -69.746
bonds (distance) P-C4' energy: -68.895
flat angles C4'-P-C4' energy: -65.561
flat angles P-C4'-P energy: -47.863
tors. eta vs tors. theta energy: -67.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -891.713581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.713581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.713581 (E_RNA)
where:
Base-Base interactions energy: -578.645
where: short stacking energy: -290.562
Base-Backbone interact. energy: -1.067
local terms energy: -312.000871
where:
bonds (distance) C4'-P energy: -53.118
bonds (distance) P-C4' energy: -72.820
flat angles C4'-P-C4' energy: -69.231
flat angles P-C4'-P energy: -49.448
tors. eta vs tors. theta energy: -67.384
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: 2
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -815.418783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.418783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.418783 (E_RNA)
where:
Base-Base interactions energy: -515.385
where: short stacking energy: -249.210
Base-Backbone interact. energy: -0.623
local terms energy: -299.410556
where:
bonds (distance) C4'-P energy: -69.145
bonds (distance) P-C4' energy: -66.200
flat angles C4'-P-C4' energy: -66.412
flat angles P-C4'-P energy: -41.526
tors. eta vs tors. theta energy: -56.128
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: 4, replica: 6
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -783.668065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.668065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.668065 (E_RNA)
where:
Base-Base interactions energy: -511.444
where: short stacking energy: -231.330
Base-Backbone interact. energy: -1.602
local terms energy: -270.621849
where:
bonds (distance) C4'-P energy: -65.584
bonds (distance) P-C4' energy: -61.128
flat angles C4'-P-C4' energy: -61.459
flat angles P-C4'-P energy: -35.652
tors. eta vs tors. theta energy: -46.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -642.155149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.155149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.155149 (E_RNA)
where:
Base-Base interactions energy: -389.881
where: short stacking energy: -194.373
Base-Backbone interact. energy: -0.107
local terms energy: -252.167134
where:
bonds (distance) C4'-P energy: -54.970
bonds (distance) P-C4' energy: -65.326
flat angles C4'-P-C4' energy: -59.205
flat angles P-C4'-P energy: -40.705
tors. eta vs tors. theta energy: -31.961
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: 9
Temperature: 1.150000
Total energy: -586.537192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.537192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.537192 (E_RNA)
where:
Base-Base interactions energy: -343.639
where: short stacking energy: -175.290
Base-Backbone interact. energy: 0.174
local terms energy: -243.071943
where:
bonds (distance) C4'-P energy: -55.364
bonds (distance) P-C4' energy: -65.467
flat angles C4'-P-C4' energy: -54.754
flat angles P-C4'-P energy: -34.744
tors. eta vs tors. theta energy: -32.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -500.945751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.945751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.945751 (E_RNA)
where:
Base-Base interactions energy: -281.014
where: short stacking energy: -153.681
Base-Backbone interact. energy: 0.990
local terms energy: -220.921575
where:
bonds (distance) C4'-P energy: -45.324
bonds (distance) P-C4' energy: -69.150
flat angles C4'-P-C4' energy: -61.069
flat angles P-C4'-P energy: -25.213
tors. eta vs tors. theta energy: -20.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -419.968451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.968451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.968451 (E_RNA)
where:
Base-Base interactions energy: -204.382
where: short stacking energy: -141.642
Base-Backbone interact. energy: -0.572
local terms energy: -215.014418
where:
bonds (distance) C4'-P energy: -50.364
bonds (distance) P-C4' energy: -61.758
flat angles C4'-P-C4' energy: -54.938
flat angles P-C4'-P energy: -24.770
tors. eta vs tors. theta energy: -23.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -370.315032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.315032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.315032 (E_RNA)
where:
Base-Base interactions energy: -178.002
where: short stacking energy: -109.696
Base-Backbone interact. energy: -2.570
local terms energy: -189.743082
where:
bonds (distance) C4'-P energy: -50.147
bonds (distance) P-C4' energy: -52.718
flat angles C4'-P-C4' energy: -44.533
flat angles P-C4'-P energy: -28.502
tors. eta vs tors. theta energy: -13.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -277.323013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.323013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.323013 (E_RNA)
where:
Base-Base interactions energy: -124.882
where: short stacking energy: -87.796
Base-Backbone interact. energy: 2.862
local terms energy: -155.302785
where:
bonds (distance) C4'-P energy: -56.442
bonds (distance) P-C4' energy: -51.843
flat angles C4'-P-C4' energy: -31.177
flat angles P-C4'-P energy: -25.591
tors. eta vs tors. theta energy: 9.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -880.322589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.322589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.322589 (E_RNA)
where:
Base-Base interactions energy: -576.016
where: short stacking energy: -292.532
Base-Backbone interact. energy: -0.652
local terms energy: -303.654504
where:
bonds (distance) C4'-P energy: -56.439
bonds (distance) P-C4' energy: -57.603
flat angles C4'-P-C4' energy: -74.423
flat angles P-C4'-P energy: -50.437
tors. eta vs tors. theta energy: -64.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -862.938937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.938937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.938937 (E_RNA)
where:
Base-Base interactions energy: -541.006
where: short stacking energy: -287.850
Base-Backbone interact. energy: -2.015
local terms energy: -319.917675
where:
bonds (distance) C4'-P energy: -65.390
bonds (distance) P-C4' energy: -65.662
flat angles C4'-P-C4' energy: -72.691
flat angles P-C4'-P energy: -43.187
tors. eta vs tors. theta energy: -72.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -813.863846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.863846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.863846 (E_RNA)
where:
Base-Base interactions energy: -520.600
where: short stacking energy: -239.315
Base-Backbone interact. energy: -1.419
local terms energy: -291.845151
where:
bonds (distance) C4'-P energy: -56.193
bonds (distance) P-C4' energy: -70.726
flat angles C4'-P-C4' energy: -62.246
flat angles P-C4'-P energy: -42.683
tors. eta vs tors. theta energy: -59.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -751.204505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.204505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.204505 (E_RNA)
where:
Base-Base interactions energy: -467.011
where: short stacking energy: -228.443
Base-Backbone interact. energy: 0.672
local terms energy: -284.866045
where:
bonds (distance) C4'-P energy: -59.153
bonds (distance) P-C4' energy: -73.119
flat angles C4'-P-C4' energy: -62.981
flat angles P-C4'-P energy: -41.983
tors. eta vs tors. theta energy: -47.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -686.993226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.993226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.993226 (E_RNA)
where:
Base-Base interactions energy: -430.499
where: short stacking energy: -203.851
Base-Backbone interact. energy: -0.753
local terms energy: -255.740818
where:
bonds (distance) C4'-P energy: -56.805
bonds (distance) P-C4' energy: -55.095
flat angles C4'-P-C4' energy: -66.189
flat angles P-C4'-P energy: -34.648
tors. eta vs tors. theta energy: -43.004
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: 5
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -659.173367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.173367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.173367 (E_RNA)
where:
Base-Base interactions energy: -382.743
where: short stacking energy: -197.764
Base-Backbone interact. energy: -0.167
local terms energy: -276.263353
where:
bonds (distance) C4'-P energy: -58.641
bonds (distance) P-C4' energy: -61.630
flat angles C4'-P-C4' energy: -66.210
flat angles P-C4'-P energy: -36.915
tors. eta vs tors. theta energy: -52.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -474.481500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.481500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.481500 (E_RNA)
where:
Base-Base interactions energy: -249.779
where: short stacking energy: -147.134
Base-Backbone interact. energy: -1.218
local terms energy: -223.485178
where:
bonds (distance) C4'-P energy: -50.340
bonds (distance) P-C4' energy: -60.673
flat angles C4'-P-C4' energy: -61.750
flat angles P-C4'-P energy: -37.657
tors. eta vs tors. theta energy: -13.065
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: 9
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -410.867978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.867978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.867978 (E_RNA)
where:
Base-Base interactions energy: -209.300
where: short stacking energy: -144.883
Base-Backbone interact. energy: 0.431
local terms energy: -201.999359
where:
bonds (distance) C4'-P energy: -53.510
bonds (distance) P-C4' energy: -57.943
flat angles C4'-P-C4' energy: -49.959
flat angles P-C4'-P energy: -25.760
tors. eta vs tors. theta energy: -14.827
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: 9, replica: 3
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -318.283419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.283419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.283419 (E_RNA)
where:
Base-Base interactions energy: -128.037
where: short stacking energy: -104.498
Base-Backbone interact. energy: 1.860
local terms energy: -192.107097
where:
bonds (distance) C4'-P energy: -63.992
bonds (distance) P-C4' energy: -48.652
flat angles C4'-P-C4' energy: -49.379
flat angles P-C4'-P energy: -29.801
tors. eta vs tors. theta energy: -0.283
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: 8
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -291.761872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.761872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.761872 (E_RNA)
where:
Base-Base interactions energy: -125.742
where: short stacking energy: -84.422
Base-Backbone interact. energy: -0.148
local terms energy: -165.871742
where:
bonds (distance) C4'-P energy: -39.764
bonds (distance) P-C4' energy: -46.973
flat angles C4'-P-C4' energy: -58.122
flat angles P-C4'-P energy: -28.712
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: 1, replica: 1
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -852.098636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.098636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.098636 (E_RNA)
where:
Base-Base interactions energy: -547.662
where: short stacking energy: -267.287
Base-Backbone interact. energy: -2.512
local terms energy: -301.924647
where:
bonds (distance) C4'-P energy: -58.761
bonds (distance) P-C4' energy: -65.958
flat angles C4'-P-C4' energy: -67.246
flat angles P-C4'-P energy: -54.815
tors. eta vs tors. theta energy: -55.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -903.954521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.954521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.954521 (E_RNA)
where:
Base-Base interactions energy: -583.930
where: short stacking energy: -292.891
Base-Backbone interact. energy: -2.276
local terms energy: -317.748209
where:
bonds (distance) C4'-P energy: -58.879
bonds (distance) P-C4' energy: -67.835
flat angles C4'-P-C4' energy: -74.959
flat angles P-C4'-P energy: -40.061
tors. eta vs tors. theta energy: -76.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -800.862636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.862636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.862636 (E_RNA)
where:
Base-Base interactions energy: -504.024
where: short stacking energy: -226.608
Base-Backbone interact. energy: -1.441
local terms energy: -295.397154
where:
bonds (distance) C4'-P energy: -53.016
bonds (distance) P-C4' energy: -65.955
flat angles C4'-P-C4' energy: -72.599
flat angles P-C4'-P energy: -48.936
tors. eta vs tors. theta energy: -54.892
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: 2
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -740.407584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.407584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.407584 (E_RNA)
where:
Base-Base interactions energy: -467.833
where: short stacking energy: -216.818
Base-Backbone interact. energy: -0.949
local terms energy: -271.626176
where:
bonds (distance) C4'-P energy: -62.782
bonds (distance) P-C4' energy: -61.613
flat angles C4'-P-C4' energy: -62.419
flat angles P-C4'-P energy: -39.746
tors. eta vs tors. theta energy: -45.066
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: 11
Temperature: 1.100000
Total energy: -678.171659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.171659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.171659 (E_RNA)
where:
Base-Base interactions energy: -425.764
where: short stacking energy: -206.014
Base-Backbone interact. energy: -1.265
local terms energy: -251.142601
where:
bonds (distance) C4'-P energy: -58.024
bonds (distance) P-C4' energy: -67.381
flat angles C4'-P-C4' energy: -57.892
flat angles P-C4'-P energy: -21.537
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: 6, replica: 5
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -655.689858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.689858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.689858 (E_RNA)
where:
Base-Base interactions energy: -408.054
where: short stacking energy: -233.000
Base-Backbone interact. energy: 2.345
local terms energy: -249.980248
where:
bonds (distance) C4'-P energy: -42.618
bonds (distance) P-C4' energy: -66.712
flat angles C4'-P-C4' energy: -69.907
flat angles P-C4'-P energy: -17.599
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: 7, replica: 7
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -612.918989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.918989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.918989 (E_RNA)
where:
Base-Base interactions energy: -360.205
where: short stacking energy: -206.657
Base-Backbone interact. energy: -1.575
local terms energy: -251.138715
where:
bonds (distance) C4'-P energy: -50.322
bonds (distance) P-C4' energy: -58.964
flat angles C4'-P-C4' energy: -53.673
flat angles P-C4'-P energy: -35.881
tors. eta vs tors. theta energy: -52.298
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: 9
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -451.329071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.329071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.329071 (E_RNA)
where:
Base-Base interactions energy: -214.188
where: short stacking energy: -126.024
Base-Backbone interact. energy: -2.634
local terms energy: -234.506484
where:
bonds (distance) C4'-P energy: -55.285
bonds (distance) P-C4' energy: -71.997
flat angles C4'-P-C4' energy: -53.509
flat angles P-C4'-P energy: -36.597
tors. eta vs tors. theta energy: -17.119
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: 3
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -331.042316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.042316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.042316 (E_RNA)
where:
Base-Base interactions energy: -156.786
where: short stacking energy: -100.520
Base-Backbone interact. energy: 0.318
local terms energy: -174.574845
where:
bonds (distance) C4'-P energy: -45.821
bonds (distance) P-C4' energy: -55.958
flat angles C4'-P-C4' energy: -44.333
flat angles P-C4'-P energy: -22.988
tors. eta vs tors. theta energy: -5.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -282.967673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.967673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.967673 (E_RNA)
where:
Base-Base interactions energy: -87.824
where: short stacking energy: -75.104
Base-Backbone interact. energy: 1.025
local terms energy: -196.168246
where:
bonds (distance) C4'-P energy: -60.885
bonds (distance) P-C4' energy: -66.243
flat angles C4'-P-C4' energy: -50.218
flat angles P-C4'-P energy: -21.990
tors. eta vs tors. theta energy: 3.167
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: 6
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -926.064458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.064458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.064458 (E_RNA)
where:
Base-Base interactions energy: -608.491
where: short stacking energy: -285.406
Base-Backbone interact. energy: 1.237
local terms energy: -318.810821
where:
bonds (distance) C4'-P energy: -63.733
bonds (distance) P-C4' energy: -64.461
flat angles C4'-P-C4' energy: -71.562
flat angles P-C4'-P energy: -53.034
tors. eta vs tors. theta energy: -66.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -820.617242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.617242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.617242 (E_RNA)
where:
Base-Base interactions energy: -513.578
where: short stacking energy: -263.009
Base-Backbone interact. energy: -1.557
local terms energy: -305.482093
where:
bonds (distance) C4'-P energy: -58.432
bonds (distance) P-C4' energy: -65.180
flat angles C4'-P-C4' energy: -66.559
flat angles P-C4'-P energy: -53.631
tors. eta vs tors. theta energy: -61.680
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: 3, replica: 4
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -797.688838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.688838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.688838 (E_RNA)
where:
Base-Base interactions energy: -503.826
where: short stacking energy: -239.391
Base-Backbone interact. energy: 0.786
local terms energy: -294.648743
where:
bonds (distance) C4'-P energy: -63.567
bonds (distance) P-C4' energy: -57.848
flat angles C4'-P-C4' energy: -68.860
flat angles P-C4'-P energy: -39.239
tors. eta vs tors. theta energy: -65.135
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: 2
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -732.114133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.114133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.114133 (E_RNA)
where:
Base-Base interactions energy: -460.176
where: short stacking energy: -218.202
Base-Backbone interact. energy: -1.965
local terms energy: -269.972606
where:
bonds (distance) C4'-P energy: -57.260
bonds (distance) P-C4' energy: -64.711
flat angles C4'-P-C4' energy: -69.845
flat angles P-C4'-P energy: -43.636
tors. eta vs tors. theta energy: -34.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -731.390136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.390136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.390136 (E_RNA)
where:
Base-Base interactions energy: -467.279
where: short stacking energy: -236.539
Base-Backbone interact. energy: 2.095
local terms energy: -266.205813
where:
bonds (distance) C4'-P energy: -56.183
bonds (distance) P-C4' energy: -59.073
flat angles C4'-P-C4' energy: -63.632
flat angles P-C4'-P energy: -42.014
tors. eta vs tors. theta energy: -45.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -614.794488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.794488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.794488 (E_RNA)
where:
Base-Base interactions energy: -367.395
where: short stacking energy: -176.397
Base-Backbone interact. energy: 0.021
local terms energy: -247.420547
where:
bonds (distance) C4'-P energy: -45.041
bonds (distance) P-C4' energy: -69.922
flat angles C4'-P-C4' energy: -56.677
flat angles P-C4'-P energy: -39.117
tors. eta vs tors. theta energy: -36.664
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: 7
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -623.488553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.488553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.488553 (E_RNA)
where:
Base-Base interactions energy: -371.024
where: short stacking energy: -190.369
Base-Backbone interact. energy: 0.414
local terms energy: -252.878825
where:
bonds (distance) C4'-P energy: -68.773
bonds (distance) P-C4' energy: -66.250
flat angles C4'-P-C4' energy: -58.701
flat angles P-C4'-P energy: -20.610
tors. eta vs tors. theta energy: -38.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -429.811248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.811248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.811248 (E_RNA)
where:
Base-Base interactions energy: -203.327
where: short stacking energy: -132.830
Base-Backbone interact. energy: 4.444
local terms energy: -230.928287
where:
bonds (distance) C4'-P energy: -56.773
bonds (distance) P-C4' energy: -59.079
flat angles C4'-P-C4' energy: -55.048
flat angles P-C4'-P energy: -41.660
tors. eta vs tors. theta energy: -18.369
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: 8
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -328.672427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.672427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.672427 (E_RNA)
where:
Base-Base interactions energy: -135.775
where: short stacking energy: -97.335
Base-Backbone interact. energy: -0.655
local terms energy: -192.241853
where:
bonds (distance) C4'-P energy: -50.586
bonds (distance) P-C4' energy: -56.114
flat angles C4'-P-C4' energy: -46.648
flat angles P-C4'-P energy: -32.328
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: 10, replica: 3
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -364.103971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.103971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.103971 (E_RNA)
where:
Base-Base interactions energy: -173.015
where: short stacking energy: -99.889
Base-Backbone interact. energy: 3.018
local terms energy: -194.106921
where:
bonds (distance) C4'-P energy: -54.046
bonds (distance) P-C4' energy: -52.409
flat angles C4'-P-C4' energy: -49.877
flat angles P-C4'-P energy: -33.913
tors. eta vs tors. theta energy: -3.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -920.234514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.234514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.234514 (E_RNA)
where:
Base-Base interactions energy: -593.124
where: short stacking energy: -288.356
Base-Backbone interact. energy: 0.802
local terms energy: -327.912384
where:
bonds (distance) C4'-P energy: -71.946
bonds (distance) P-C4' energy: -67.425
flat angles C4'-P-C4' energy: -74.762
flat angles P-C4'-P energy: -47.691
tors. eta vs tors. theta energy: -66.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -828.320700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.320700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.320700 (E_RNA)
where:
Base-Base interactions energy: -520.940
where: short stacking energy: -261.975
Base-Backbone interact. energy: -0.353
local terms energy: -307.027379
where:
bonds (distance) C4'-P energy: -65.817
bonds (distance) P-C4' energy: -70.010
flat angles C4'-P-C4' energy: -65.915
flat angles P-C4'-P energy: -43.112
tors. eta vs tors. theta energy: -62.173
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: 4
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -834.510103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.510103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.510103 (E_RNA)
where:
Base-Base interactions energy: -535.372
where: short stacking energy: -258.010
Base-Backbone interact. energy: 0.013
local terms energy: -299.151662
where:
bonds (distance) C4'-P energy: -59.607
bonds (distance) P-C4' energy: -58.601
flat angles C4'-P-C4' energy: -69.506
flat angles P-C4'-P energy: -50.558
tors. eta vs tors. theta energy: -60.879
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: 10
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -769.666289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.666289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.666289 (E_RNA)
where:
Base-Base interactions energy: -479.430
where: short stacking energy: -256.089
Base-Backbone interact. energy: -0.451
local terms energy: -289.784924
where:
bonds (distance) C4'-P energy: -46.408
bonds (distance) P-C4' energy: -67.334
flat angles C4'-P-C4' energy: -66.628
flat angles P-C4'-P energy: -50.363
tors. eta vs tors. theta energy: -59.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -734.167871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.167871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.167871 (E_RNA)
where:
Base-Base interactions energy: -487.708
where: short stacking energy: -187.849
Base-Backbone interact. energy: -1.405
local terms energy: -245.054206
where:
bonds (distance) C4'-P energy: -57.607
bonds (distance) P-C4' energy: -65.439
flat angles C4'-P-C4' energy: -62.666
flat angles P-C4'-P energy: -32.385
tors. eta vs tors. theta energy: -26.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -672.883072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.883072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.883072 (E_RNA)
where:
Base-Base interactions energy: -414.936
where: short stacking energy: -206.343
Base-Backbone interact. energy: -1.352
local terms energy: -256.595303
where:
bonds (distance) C4'-P energy: -51.628
bonds (distance) P-C4' energy: -64.261
flat angles C4'-P-C4' energy: -64.583
flat angles P-C4'-P energy: -31.555
tors. eta vs tors. theta energy: -44.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -522.586441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.586441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.586441 (E_RNA)
where:
Base-Base interactions energy: -310.756
where: short stacking energy: -162.377
Base-Backbone interact. energy: -0.592
local terms energy: -211.238063
where:
bonds (distance) C4'-P energy: -50.895
bonds (distance) P-C4' energy: -60.173
flat angles C4'-P-C4' energy: -53.831
flat angles P-C4'-P energy: -23.062
tors. eta vs tors. theta energy: -23.276
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: 9
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -448.335941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.335941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.335941 (E_RNA)
where:
Base-Base interactions energy: -218.399
where: short stacking energy: -139.512
Base-Backbone interact. energy: 0.986
local terms energy: -230.922883
where:
bonds (distance) C4'-P energy: -58.831
bonds (distance) P-C4' energy: -54.735
flat angles C4'-P-C4' energy: -57.440
flat angles P-C4'-P energy: -34.404
tors. eta vs tors. theta energy: -25.513
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: 8
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -335.437842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.437842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.437842 (E_RNA)
where:
Base-Base interactions energy: -154.453
where: short stacking energy: -110.373
Base-Backbone interact. energy: -1.073
local terms energy: -179.911889
where:
bonds (distance) C4'-P energy: -46.232
bonds (distance) P-C4' energy: -68.586
flat angles C4'-P-C4' energy: -27.541
flat angles P-C4'-P energy: -42.401
tors. eta vs tors. theta energy: 4.848
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: 3
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -383.415863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.415863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.415863 (E_RNA)
where:
Base-Base interactions energy: -192.471
where: short stacking energy: -100.849
Base-Backbone interact. energy: 2.367
local terms energy: -193.312382
where:
bonds (distance) C4'-P energy: -48.752
bonds (distance) P-C4' energy: -71.246
flat angles C4'-P-C4' energy: -53.835
flat angles P-C4'-P energy: -32.528
tors. eta vs tors. theta energy: 13.049
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: 1, replica: 6
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -914.197676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.197676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.197676 (E_RNA)
where:
Base-Base interactions energy: -578.408
where: short stacking energy: -280.790
Base-Backbone interact. energy: 0.538
local terms energy: -336.328119
where:
bonds (distance) C4'-P energy: -64.996
bonds (distance) P-C4' energy: -68.063
flat angles C4'-P-C4' energy: -70.887
flat angles P-C4'-P energy: -57.278
tors. eta vs tors. theta energy: -75.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -860.035914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.035914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.035914 (E_RNA)
where:
Base-Base interactions energy: -548.722
where: short stacking energy: -266.025
Base-Backbone interact. energy: -0.469
local terms energy: -310.844161
where:
bonds (distance) C4'-P energy: -60.890
bonds (distance) P-C4' energy: -65.346
flat angles C4'-P-C4' energy: -69.264
flat angles P-C4'-P energy: -49.048
tors. eta vs tors. theta energy: -66.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -819.739805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.739805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.739805 (E_RNA)
where:
Base-Base interactions energy: -525.950
where: short stacking energy: -257.821
Base-Backbone interact. energy: -0.784
local terms energy: -293.005195
where:
bonds (distance) C4'-P energy: -62.702
bonds (distance) P-C4' energy: -63.849
flat angles C4'-P-C4' energy: -62.458
flat angles P-C4'-P energy: -42.983
tors. eta vs tors. theta energy: -61.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -728.439077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.439077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.439077 (E_RNA)
where:
Base-Base interactions energy: -457.302
where: short stacking energy: -227.336
Base-Backbone interact. energy: 4.637
local terms energy: -275.773977
where:
bonds (distance) C4'-P energy: -65.878
bonds (distance) P-C4' energy: -67.237
flat angles C4'-P-C4' energy: -50.231
flat angles P-C4'-P energy: -44.873
tors. eta vs tors. theta energy: -47.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -751.491724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.491724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.491724 (E_RNA)
where:
Base-Base interactions energy: -495.116
where: short stacking energy: -217.420
Base-Backbone interact. energy: -0.555
local terms energy: -255.821083
where:
bonds (distance) C4'-P energy: -50.767
bonds (distance) P-C4' energy: -58.992
flat angles C4'-P-C4' energy: -73.337
flat angles P-C4'-P energy: -32.596
tors. eta vs tors. theta energy: -40.129
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: 5
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -666.384280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.384280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.384280 (E_RNA)
where:
Base-Base interactions energy: -419.240
where: short stacking energy: -197.715
Base-Backbone interact. energy: -0.533
local terms energy: -246.611376
where:
bonds (distance) C4'-P energy: -57.689
bonds (distance) P-C4' energy: -61.829
flat angles C4'-P-C4' energy: -62.325
flat angles P-C4'-P energy: -32.736
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: 7, replica: 9
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -450.169320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.169320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.169320 (E_RNA)
where:
Base-Base interactions energy: -220.214
where: short stacking energy: -142.033
Base-Backbone interact. energy: 2.362
local terms energy: -232.317638
where:
bonds (distance) C4'-P energy: -61.251
bonds (distance) P-C4' energy: -53.332
flat angles C4'-P-C4' energy: -58.379
flat angles P-C4'-P energy: -33.628
tors. eta vs tors. theta energy: -25.727
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: 8, replica: 7
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -471.877710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.877710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.877710 (E_RNA)
where:
Base-Base interactions energy: -227.493
where: short stacking energy: -121.317
Base-Backbone interact. energy: 1.514
local terms energy: -245.898397
where:
bonds (distance) C4'-P energy: -57.374
bonds (distance) P-C4' energy: -64.742
flat angles C4'-P-C4' energy: -61.480
flat angles P-C4'-P energy: -33.893
tors. eta vs tors. theta energy: -28.409
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: 3
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -382.158957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.158957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.158957 (E_RNA)
where:
Base-Base interactions energy: -188.365
where: short stacking energy: -107.549
Base-Backbone interact. energy: -0.129
local terms energy: -193.665635
where:
bonds (distance) C4'-P energy: -51.428
bonds (distance) P-C4' energy: -54.140
flat angles C4'-P-C4' energy: -56.018
flat angles P-C4'-P energy: -30.477
tors. eta vs tors. theta energy: -1.603
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: 8
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -342.625714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.625714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.625714 (E_RNA)
where:
Base-Base interactions energy: -168.676
where: short stacking energy: -91.753
Base-Backbone interact. energy: -1.395
local terms energy: -172.554140
where:
bonds (distance) C4'-P energy: -43.488
bonds (distance) P-C4' energy: -50.516
flat angles C4'-P-C4' energy: -54.597
flat angles P-C4'-P energy: -32.671
tors. eta vs tors. theta energy: 8.718
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: 1, replica: 6
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -905.359145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.359145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.359145 (E_RNA)
where:
Base-Base interactions energy: -605.164
where: short stacking energy: -277.617
Base-Backbone interact. energy: -0.570
local terms energy: -299.625138
where:
bonds (distance) C4'-P energy: -70.349
bonds (distance) P-C4' energy: -62.901
flat angles C4'-P-C4' energy: -67.143
flat angles P-C4'-P energy: -37.887
tors. eta vs tors. theta energy: -61.346
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: 2, replica: 1
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -856.113131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.113131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.113131 (E_RNA)
where:
Base-Base interactions energy: -543.863
where: short stacking energy: -253.047
Base-Backbone interact. energy: -0.306
local terms energy: -311.943327
where:
bonds (distance) C4'-P energy: -58.689
bonds (distance) P-C4' energy: -61.682
flat angles C4'-P-C4' energy: -69.272
flat angles P-C4'-P energy: -49.133
tors. eta vs tors. theta energy: -73.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -827.806210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.806210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.806210 (E_RNA)
where:
Base-Base interactions energy: -517.797
where: short stacking energy: -244.146
Base-Backbone interact. energy: -1.939
local terms energy: -308.070162
where:
bonds (distance) C4'-P energy: -69.611
bonds (distance) P-C4' energy: -58.615
flat angles C4'-P-C4' energy: -79.896
flat angles P-C4'-P energy: -47.512
tors. eta vs tors. theta energy: -52.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -803.749549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.749549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.749549 (E_RNA)
where:
Base-Base interactions energy: -509.954
where: short stacking energy: -226.077
Base-Backbone interact. energy: -1.868
local terms energy: -291.927617
where:
bonds (distance) C4'-P energy: -59.148
bonds (distance) P-C4' energy: -67.733
flat angles C4'-P-C4' energy: -68.512
flat angles P-C4'-P energy: -50.916
tors. eta vs tors. theta energy: -45.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -728.850971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.850971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.850971 (E_RNA)
where:
Base-Base interactions energy: -474.784
where: short stacking energy: -245.578
Base-Backbone interact. energy: -1.224
local terms energy: -252.843141
where:
bonds (distance) C4'-P energy: -45.021
bonds (distance) P-C4' energy: -62.254
flat angles C4'-P-C4' energy: -59.054
flat angles P-C4'-P energy: -29.140
tors. eta vs tors. theta energy: -57.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -642.384093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.384093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.384093 (E_RNA)
where:
Base-Base interactions energy: -380.074
where: short stacking energy: -185.455
Base-Backbone interact. energy: -1.218
local terms energy: -261.091950
where:
bonds (distance) C4'-P energy: -59.765
bonds (distance) P-C4' energy: -62.586
flat angles C4'-P-C4' energy: -62.556
flat angles P-C4'-P energy: -43.773
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: 7, replica: 9
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -435.322343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.322343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.322343 (E_RNA)
where:
Base-Base interactions energy: -217.070
where: short stacking energy: -139.343
Base-Backbone interact. energy: 4.551
local terms energy: -222.803020
where:
bonds (distance) C4'-P energy: -55.969
bonds (distance) P-C4' energy: -58.741
flat angles C4'-P-C4' energy: -58.490
flat angles P-C4'-P energy: -22.065
tors. eta vs tors. theta energy: -27.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -474.876029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.876029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.876029 (E_RNA)
where:
Base-Base interactions energy: -269.771
where: short stacking energy: -116.269
Base-Backbone interact. energy: -1.263
local terms energy: -203.842213
where:
bonds (distance) C4'-P energy: -60.320
bonds (distance) P-C4' energy: -53.086
flat angles C4'-P-C4' energy: -48.019
flat angles P-C4'-P energy: -29.415
tors. eta vs tors. theta energy: -13.003
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: 7
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -368.013938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.013938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.013938 (E_RNA)
where:
Base-Base interactions energy: -175.383
where: short stacking energy: -91.426
Base-Backbone interact. energy: 2.086
local terms energy: -194.716682
where:
bonds (distance) C4'-P energy: -43.494
bonds (distance) P-C4' energy: -63.656
flat angles C4'-P-C4' energy: -54.629
flat angles P-C4'-P energy: -35.582
tors. eta vs tors. theta energy: 2.644
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: 8
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -337.246583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.246583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.246583 (E_RNA)
where:
Base-Base interactions energy: -163.533
where: short stacking energy: -108.955
Base-Backbone interact. energy: -2.243
local terms energy: -171.470253
where:
bonds (distance) C4'-P energy: -52.170
bonds (distance) P-C4' energy: -47.748
flat angles C4'-P-C4' energy: -42.818
flat angles P-C4'-P energy: -22.479
tors. eta vs tors. theta energy: -6.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -904.660859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.660859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.660859 (E_RNA)
where:
Base-Base interactions energy: -594.542
where: short stacking energy: -284.972
Base-Backbone interact. energy: -1.654
local terms energy: -308.465411
where:
bonds (distance) C4'-P energy: -54.867
bonds (distance) P-C4' energy: -69.045
flat angles C4'-P-C4' energy: -76.054
flat angles P-C4'-P energy: -42.265
tors. eta vs tors. theta energy: -66.234
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: 2, replica: 1
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -896.052806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.052806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.052806 (E_RNA)
where:
Base-Base interactions energy: -572.690
where: short stacking energy: -290.490
Base-Backbone interact. energy: -2.242
local terms energy: -321.121000
where:
bonds (distance) C4'-P energy: -62.838
bonds (distance) P-C4' energy: -62.223
flat angles C4'-P-C4' energy: -75.071
flat angles P-C4'-P energy: -45.254
tors. eta vs tors. theta energy: -75.735
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: 2
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -865.769644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.769644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.769644 (E_RNA)
where:
Base-Base interactions energy: -560.469
where: short stacking energy: -257.668
Base-Backbone interact. energy: -1.009
local terms energy: -304.291133
where:
bonds (distance) C4'-P energy: -60.557
bonds (distance) P-C4' energy: -66.363
flat angles C4'-P-C4' energy: -68.756
flat angles P-C4'-P energy: -51.456
tors. eta vs tors. theta energy: -57.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -823.211596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.211596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.211596 (E_RNA)
where:
Base-Base interactions energy: -531.131
where: short stacking energy: -248.989
Base-Backbone interact. energy: -1.035
local terms energy: -291.045063
where:
bonds (distance) C4'-P energy: -50.078
bonds (distance) P-C4' energy: -62.961
flat angles C4'-P-C4' energy: -66.468
flat angles P-C4'-P energy: -52.742
tors. eta vs tors. theta energy: -58.796
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: 16
Temperature: 1.100000
Total energy: -730.461822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.461822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.461822 (E_RNA)
where:
Base-Base interactions energy: -465.071
where: short stacking energy: -207.922
Base-Backbone interact. energy: -0.782
local terms energy: -264.608767
where:
bonds (distance) C4'-P energy: -65.810
bonds (distance) P-C4' energy: -61.120
flat angles C4'-P-C4' energy: -63.291
flat angles P-C4'-P energy: -36.856
tors. eta vs tors. theta energy: -37.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -661.158371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.158371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.158371 (E_RNA)
where:
Base-Base interactions energy: -405.880
where: short stacking energy: -191.483
Base-Backbone interact. energy: 0.084
local terms energy: -255.362504
where:
bonds (distance) C4'-P energy: -54.151
bonds (distance) P-C4' energy: -63.280
flat angles C4'-P-C4' energy: -67.192
flat angles P-C4'-P energy: -28.774
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: 7, replica: 3
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -518.379520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.379520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.379520 (E_RNA)
where:
Base-Base interactions energy: -290.345
where: short stacking energy: -146.684
Base-Backbone interact. energy: 1.134
local terms energy: -229.168401
where:
bonds (distance) C4'-P energy: -57.956
bonds (distance) P-C4' energy: -55.954
flat angles C4'-P-C4' energy: -57.893
flat angles P-C4'-P energy: -41.395
tors. eta vs tors. theta energy: -15.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -457.699614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.699614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.699614 (E_RNA)
where:
Base-Base interactions energy: -247.559
where: short stacking energy: -132.242
Base-Backbone interact. energy: 0.741
local terms energy: -210.881879
where:
bonds (distance) C4'-P energy: -60.015
bonds (distance) P-C4' energy: -65.513
flat angles C4'-P-C4' energy: -53.279
flat angles P-C4'-P energy: -24.589
tors. eta vs tors. theta energy: -7.485
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: 9, replica: 8
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -343.087168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.087168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.087168 (E_RNA)
where:
Base-Base interactions energy: -146.993
where: short stacking energy: -99.242
Base-Backbone interact. energy: -0.524
local terms energy: -195.569696
where:
bonds (distance) C4'-P energy: -68.473
bonds (distance) P-C4' energy: -64.208
flat angles C4'-P-C4' energy: -41.411
flat angles P-C4'-P energy: -20.641
tors. eta vs tors. theta energy: -0.836
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: 7
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -350.780256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.780256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.780256 (E_RNA)
where:
Base-Base interactions energy: -171.062
where: short stacking energy: -115.408
Base-Backbone interact. energy: -1.058
local terms energy: -178.660299
where:
bonds (distance) C4'-P energy: -48.555
bonds (distance) P-C4' energy: -61.139
flat angles C4'-P-C4' energy: -50.211
flat angles P-C4'-P energy: -10.178
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: 1, replica: 6
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -911.277442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.277442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.277442 (E_RNA)
where:
Base-Base interactions energy: -599.465
where: short stacking energy: -287.316
Base-Backbone interact. energy: -1.637
local terms energy: -310.175885
where:
bonds (distance) C4'-P energy: -62.353
bonds (distance) P-C4' energy: -65.039
flat angles C4'-P-C4' energy: -72.832
flat angles P-C4'-P energy: -40.503
tors. eta vs tors. theta energy: -69.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -894.669825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.669825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.669825 (E_RNA)
where:
Base-Base interactions energy: -593.224
where: short stacking energy: -287.746
Base-Backbone interact. energy: -0.876
local terms energy: -300.570378
where:
bonds (distance) C4'-P energy: -55.472
bonds (distance) P-C4' energy: -59.338
flat angles C4'-P-C4' energy: -68.440
flat angles P-C4'-P energy: -38.468
tors. eta vs tors. theta energy: -78.853
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: 17
Temperature: 1.000000
Total energy: -834.213060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.213060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.213060 (E_RNA)
where:
Base-Base interactions energy: -538.138
where: short stacking energy: -257.333
Base-Backbone interact. energy: -0.243
local terms energy: -295.831782
where:
bonds (distance) C4'-P energy: -52.473
bonds (distance) P-C4' energy: -68.161
flat angles C4'-P-C4' energy: -62.287
flat angles P-C4'-P energy: -53.162
tors. eta vs tors. theta energy: -59.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -794.641454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.641454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.641454 (E_RNA)
where:
Base-Base interactions energy: -501.647
where: short stacking energy: -229.500
Base-Backbone interact. energy: -0.607
local terms energy: -292.386975
where:
bonds (distance) C4'-P energy: -55.884
bonds (distance) P-C4' energy: -64.194
flat angles C4'-P-C4' energy: -62.733
flat angles P-C4'-P energy: -45.328
tors. eta vs tors. theta energy: -64.248
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: 10
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -717.830768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.830768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.830768 (E_RNA)
where:
Base-Base interactions energy: -450.842
where: short stacking energy: -208.617
Base-Backbone interact. energy: -1.148
local terms energy: -265.840751
where:
bonds (distance) C4'-P energy: -64.750
bonds (distance) P-C4' energy: -69.592
flat angles C4'-P-C4' energy: -51.263
flat angles P-C4'-P energy: -35.451
tors. eta vs tors. theta energy: -44.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -699.735958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.735958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.735958 (E_RNA)
where:
Base-Base interactions energy: -431.409
where: short stacking energy: -230.655
Base-Backbone interact. energy: -0.065
local terms energy: -268.261987
where:
bonds (distance) C4'-P energy: -57.906
bonds (distance) P-C4' energy: -59.433
flat angles C4'-P-C4' energy: -57.592
flat angles P-C4'-P energy: -40.483
tors. eta vs tors. theta energy: -52.848
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: 7, replica: 3
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -498.089014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.089014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.089014 (E_RNA)
where:
Base-Base interactions energy: -259.687
where: short stacking energy: -161.222
Base-Backbone interact. energy: -2.375
local terms energy: -236.027053
where:
bonds (distance) C4'-P energy: -60.293
bonds (distance) P-C4' energy: -63.717
flat angles C4'-P-C4' energy: -64.754
flat angles P-C4'-P energy: -26.869
tors. eta vs tors. theta energy: -20.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -424.978184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.978184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.978184 (E_RNA)
where:
Base-Base interactions energy: -221.972
where: short stacking energy: -117.982
Base-Backbone interact. energy: -2.382
local terms energy: -200.623469
where:
bonds (distance) C4'-P energy: -53.457
bonds (distance) P-C4' energy: -60.651
flat angles C4'-P-C4' energy: -55.755
flat angles P-C4'-P energy: -25.177
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: 9, replica: 8
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -367.870650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.870650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.870650 (E_RNA)
where:
Base-Base interactions energy: -178.812
where: short stacking energy: -97.284
Base-Backbone interact. energy: 1.692
local terms energy: -190.751257
where:
bonds (distance) C4'-P energy: -47.023
bonds (distance) P-C4' energy: -55.225
flat angles C4'-P-C4' energy: -48.543
flat angles P-C4'-P energy: -35.555
tors. eta vs tors. theta energy: -4.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -301.069161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.069161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.069161 (E_RNA)
where:
Base-Base interactions energy: -130.972
where: short stacking energy: -84.135
Base-Backbone interact. energy: -1.467
local terms energy: -168.629666
where:
bonds (distance) C4'-P energy: -49.333
bonds (distance) P-C4' energy: -63.843
flat angles C4'-P-C4' energy: -42.066
flat angles P-C4'-P energy: -22.068
tors. eta vs tors. theta energy: 8.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -917.707946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.707946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.707946 (E_RNA)
where:
Base-Base interactions energy: -593.370
where: short stacking energy: -290.222
Base-Backbone interact. energy: 1.727
local terms energy: -326.064792
where:
bonds (distance) C4'-P energy: -67.353
bonds (distance) P-C4' energy: -68.140
flat angles C4'-P-C4' energy: -75.443
flat angles P-C4'-P energy: -45.076
tors. eta vs tors. theta energy: -70.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -946.888595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.888595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.888595 (E_RNA)
where:
Base-Base interactions energy: -611.030
where: short stacking energy: -295.600
Base-Backbone interact. energy: -0.121
local terms energy: -335.737507
where:
bonds (distance) C4'-P energy: -64.767
bonds (distance) P-C4' energy: -69.910
flat angles C4'-P-C4' energy: -72.045
flat angles P-C4'-P energy: -44.879
tors. eta vs tors. theta energy: -84.136
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: 4
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -854.036049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.036049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.036049 (E_RNA)
where:
Base-Base interactions energy: -553.314
where: short stacking energy: -273.203
Base-Backbone interact. energy: -2.181
local terms energy: -298.540672
where:
bonds (distance) C4'-P energy: -54.294
bonds (distance) P-C4' energy: -56.453
flat angles C4'-P-C4' energy: -63.228
flat angles P-C4'-P energy: -48.956
tors. eta vs tors. theta energy: -75.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -833.073260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.073260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.073260 (E_RNA)
where:
Base-Base interactions energy: -549.657
where: short stacking energy: -229.095
Base-Backbone interact. energy: -2.631
local terms energy: -280.785096
where:
bonds (distance) C4'-P energy: -63.332
bonds (distance) P-C4' energy: -59.613
flat angles C4'-P-C4' energy: -68.942
flat angles P-C4'-P energy: -44.060
tors. eta vs tors. theta energy: -44.837
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: 5
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -713.648741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.648741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.648741 (E_RNA)
where:
Base-Base interactions energy: -446.824
where: short stacking energy: -225.549
Base-Backbone interact. energy: -0.446
local terms energy: -266.378425
where:
bonds (distance) C4'-P energy: -64.324
bonds (distance) P-C4' energy: -55.645
flat angles C4'-P-C4' energy: -63.350
flat angles P-C4'-P energy: -35.784
tors. eta vs tors. theta energy: -47.276
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: 6, replica: 10
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -715.924276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.924276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.924276 (E_RNA)
where:
Base-Base interactions energy: -441.773
where: short stacking energy: -218.378
Base-Backbone interact. energy: -0.149
local terms energy: -274.002542
where:
bonds (distance) C4'-P energy: -57.672
bonds (distance) P-C4' energy: -56.711
flat angles C4'-P-C4' energy: -64.699
flat angles P-C4'-P energy: -38.955
tors. eta vs tors. theta energy: -55.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -530.568220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.568220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.568220 (E_RNA)
where:
Base-Base interactions energy: -298.261
where: short stacking energy: -172.322
Base-Backbone interact. energy: 1.730
local terms energy: -234.037170
where:
bonds (distance) C4'-P energy: -69.953
bonds (distance) P-C4' energy: -56.101
flat angles C4'-P-C4' energy: -56.392
flat angles P-C4'-P energy: -27.274
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: 9
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -369.288697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.288697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.288697 (E_RNA)
where:
Base-Base interactions energy: -152.672
where: short stacking energy: -105.828
Base-Backbone interact. energy: 5.430
local terms energy: -222.046125
where:
bonds (distance) C4'-P energy: -66.307
bonds (distance) P-C4' energy: -72.811
flat angles C4'-P-C4' energy: -48.437
flat angles P-C4'-P energy: -29.074
tors. eta vs tors. theta energy: -5.416
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: 8
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -385.115510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.115510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.115510 (E_RNA)
where:
Base-Base interactions energy: -169.746
where: short stacking energy: -113.020
Base-Backbone interact. energy: -0.787
local terms energy: -214.582928
where:
bonds (distance) C4'-P energy: -66.686
bonds (distance) P-C4' energy: -53.062
flat angles C4'-P-C4' energy: -60.897
flat angles P-C4'-P energy: -31.572
tors. eta vs tors. theta energy: -2.365
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: 7
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -306.195854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.195854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.195854 (E_RNA)
where:
Base-Base interactions energy: -126.928
where: short stacking energy: -99.322
Base-Backbone interact. energy: 0.757
local terms energy: -180.024718
where:
bonds (distance) C4'-P energy: -43.746
bonds (distance) P-C4' energy: -58.073
flat angles C4'-P-C4' energy: -45.842
flat angles P-C4'-P energy: -31.890
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: 1, replica: 6
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -917.654504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.654504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.654504 (E_RNA)
where:
Base-Base interactions energy: -614.960
where: short stacking energy: -283.694
Base-Backbone interact. energy: -0.932
local terms energy: -301.761854
where:
bonds (distance) C4'-P energy: -62.737
bonds (distance) P-C4' energy: -63.310
flat angles C4'-P-C4' energy: -70.207
flat angles P-C4'-P energy: -39.305
tors. eta vs tors. theta energy: -66.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -953.648646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.648646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.648646 (E_RNA)
where:
Base-Base interactions energy: -609.308
where: short stacking energy: -302.447
Base-Backbone interact. energy: -1.583
local terms energy: -342.757062
where:
bonds (distance) C4'-P energy: -65.870
bonds (distance) P-C4' energy: -72.674
flat angles C4'-P-C4' energy: -75.698
flat angles P-C4'-P energy: -47.694
tors. eta vs tors. theta energy: -80.820
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: 4
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -867.555486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.555486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.555486 (E_RNA)
where:
Base-Base interactions energy: -569.662
where: short stacking energy: -261.537
Base-Backbone interact. energy: -0.617
local terms energy: -297.276275
where:
bonds (distance) C4'-P energy: -59.432
bonds (distance) P-C4' energy: -58.978
flat angles C4'-P-C4' energy: -71.472
flat angles P-C4'-P energy: -40.516
tors. eta vs tors. theta energy: -66.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -820.791383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.791383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.791383 (E_RNA)
where:
Base-Base interactions energy: -542.384
where: short stacking energy: -243.075
Base-Backbone interact. energy: 2.280
local terms energy: -280.687521
where:
bonds (distance) C4'-P energy: -51.919
bonds (distance) P-C4' energy: -66.945
flat angles C4'-P-C4' energy: -70.267
flat angles P-C4'-P energy: -38.396
tors. eta vs tors. theta energy: -53.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -757.514064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.514064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.514064 (E_RNA)
where:
Base-Base interactions energy: -476.054
where: short stacking energy: -228.883
Base-Backbone interact. energy: -1.053
local terms energy: -280.407586
where:
bonds (distance) C4'-P energy: -63.866
bonds (distance) P-C4' energy: -69.879
flat angles C4'-P-C4' energy: -60.601
flat angles P-C4'-P energy: -35.713
tors. eta vs tors. theta energy: -50.348
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: 6, replica: 10
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -706.298213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.298213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.298213 (E_RNA)
where:
Base-Base interactions energy: -448.282
where: short stacking energy: -215.256
Base-Backbone interact. energy: -2.193
local terms energy: -255.823123
where:
bonds (distance) C4'-P energy: -56.511
bonds (distance) P-C4' energy: -52.258
flat angles C4'-P-C4' energy: -54.991
flat angles P-C4'-P energy: -35.813
tors. eta vs tors. theta energy: -56.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -554.261669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.261669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.261669 (E_RNA)
where:
Base-Base interactions energy: -317.884
where: short stacking energy: -191.219
Base-Backbone interact. energy: -1.694
local terms energy: -234.683890
where:
bonds (distance) C4'-P energy: -55.144
bonds (distance) P-C4' energy: -48.924
flat angles C4'-P-C4' energy: -56.676
flat angles P-C4'-P energy: -42.049
tors. eta vs tors. theta energy: -31.891
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: 8, replica: 9
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -417.950208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.950208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.950208 (E_RNA)
where:
Base-Base interactions energy: -230.843
where: short stacking energy: -134.499
Base-Backbone interact. energy: 4.300
local terms energy: -191.407370
where:
bonds (distance) C4'-P energy: -42.504
bonds (distance) P-C4' energy: -49.032
flat angles C4'-P-C4' energy: -52.591
flat angles P-C4'-P energy: -37.077
tors. eta vs tors. theta energy: -10.203
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: 8
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -371.271713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.271713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.271713 (E_RNA)
where:
Base-Base interactions energy: -167.950
where: short stacking energy: -121.336
Base-Backbone interact. energy: -1.656
local terms energy: -201.666060
where:
bonds (distance) C4'-P energy: -56.415
bonds (distance) P-C4' energy: -61.125
flat angles C4'-P-C4' energy: -51.361
flat angles P-C4'-P energy: -22.358
tors. eta vs tors. theta energy: -10.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -301.705587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.705587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.705587 (E_RNA)
where:
Base-Base interactions energy: -102.215
where: short stacking energy: -80.917
Base-Backbone interact. energy: 2.032
local terms energy: -201.521670
where:
bonds (distance) C4'-P energy: -51.026
bonds (distance) P-C4' energy: -58.528
flat angles C4'-P-C4' energy: -56.136
flat angles P-C4'-P energy: -34.702
tors. eta vs tors. theta energy: -1.129
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: 1
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -1024.287914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.287914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.287914 (E_RNA)
where:
Base-Base interactions energy: -688.722
where: short stacking energy: -313.368
Base-Backbone interact. energy: -0.289
local terms energy: -335.277674
where:
bonds (distance) C4'-P energy: -68.335
bonds (distance) P-C4' energy: -63.687
flat angles C4'-P-C4' energy: -65.985
flat angles P-C4'-P energy: -49.453
tors. eta vs tors. theta energy: -87.817
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: 20
Temperature: 0.950000
Total energy: -919.780539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.780539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.780539 (E_RNA)
where:
Base-Base interactions energy: -616.160
where: short stacking energy: -280.605
Base-Backbone interact. energy: 1.248
local terms energy: -304.868215
where:
bonds (distance) C4'-P energy: -54.265
bonds (distance) P-C4' energy: -68.268
flat angles C4'-P-C4' energy: -68.936
flat angles P-C4'-P energy: -48.330
tors. eta vs tors. theta energy: -65.069
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: 4
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -850.886438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.886438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.886438 (E_RNA)
where:
Base-Base interactions energy: -574.016
where: short stacking energy: -264.763
Base-Backbone interact. energy: 0.219
local terms energy: -277.088727
where:
bonds (distance) C4'-P energy: -54.285
bonds (distance) P-C4' energy: -64.961
flat angles C4'-P-C4' energy: -62.488
flat angles P-C4'-P energy: -37.190
tors. eta vs tors. theta energy: -58.164
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: 2
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -824.553234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.553234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.553234 (E_RNA)
where:
Base-Base interactions energy: -541.785
where: short stacking energy: -238.347
Base-Backbone interact. energy: -3.159
local terms energy: -279.608531
where:
bonds (distance) C4'-P energy: -59.190
bonds (distance) P-C4' energy: -58.735
flat angles C4'-P-C4' energy: -57.847
flat angles P-C4'-P energy: -46.539
tors. eta vs tors. theta energy: -57.298
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: 5, replica: 10
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -760.442163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.442163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.442163 (E_RNA)
where:
Base-Base interactions energy: -502.475
where: short stacking energy: -235.107
Base-Backbone interact. energy: -1.053
local terms energy: -256.914346
where:
bonds (distance) C4'-P energy: -59.193
bonds (distance) P-C4' energy: -47.981
flat angles C4'-P-C4' energy: -55.601
flat angles P-C4'-P energy: -32.334
tors. eta vs tors. theta energy: -61.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -689.742069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.742069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.742069 (E_RNA)
where:
Base-Base interactions energy: -419.375
where: short stacking energy: -207.741
Base-Backbone interact. energy: -1.473
local terms energy: -268.893879
where:
bonds (distance) C4'-P energy: -60.979
bonds (distance) P-C4' energy: -61.472
flat angles C4'-P-C4' energy: -60.692
flat angles P-C4'-P energy: -40.432
tors. eta vs tors. theta energy: -45.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -547.642839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.642839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.642839 (E_RNA)
where:
Base-Base interactions energy: -300.061
where: short stacking energy: -156.384
Base-Backbone interact. energy: -0.904
local terms energy: -246.677110
where:
bonds (distance) C4'-P energy: -55.855
bonds (distance) P-C4' energy: -56.688
flat angles C4'-P-C4' energy: -61.279
flat angles P-C4'-P energy: -37.879
tors. eta vs tors. theta energy: -34.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -455.708330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.708330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.708330 (E_RNA)
where:
Base-Base interactions energy: -263.337
where: short stacking energy: -121.115
Base-Backbone interact. energy: 2.467
local terms energy: -194.838111
where:
bonds (distance) C4'-P energy: -40.883
bonds (distance) P-C4' energy: -67.708
flat angles C4'-P-C4' energy: -55.890
flat angles P-C4'-P energy: -26.834
tors. eta vs tors. theta energy: -3.524
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: 8
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -400.738394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.738394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.738394 (E_RNA)
where:
Base-Base interactions energy: -188.399
where: short stacking energy: -111.444
Base-Backbone interact. energy: -1.774
local terms energy: -210.565780
where:
bonds (distance) C4'-P energy: -57.232
bonds (distance) P-C4' energy: -52.010
flat angles C4'-P-C4' energy: -59.760
flat angles P-C4'-P energy: -39.678
tors. eta vs tors. theta energy: -1.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -284.391575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.391575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.391575 (E_RNA)
where:
Base-Base interactions energy: -107.841
where: short stacking energy: -88.061
Base-Backbone interact. energy: -1.724
local terms energy: -174.826921
where:
bonds (distance) C4'-P energy: -56.498
bonds (distance) P-C4' energy: -55.930
flat angles C4'-P-C4' energy: -44.747
flat angles P-C4'-P energy: -23.860
tors. eta vs tors. theta energy: 6.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -1014.456152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.456152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.456152 (E_RNA)
where:
Base-Base interactions energy: -683.892
where: short stacking energy: -324.444
Base-Backbone interact. energy: -1.366
local terms energy: -329.198052
where:
bonds (distance) C4'-P energy: -64.822
bonds (distance) P-C4' energy: -68.432
flat angles C4'-P-C4' energy: -72.034
flat angles P-C4'-P energy: -44.291
tors. eta vs tors. theta energy: -79.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -911.557408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.557408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.557408 (E_RNA)
where:
Base-Base interactions energy: -602.294
where: short stacking energy: -287.780
Base-Backbone interact. energy: -0.217
local terms energy: -309.046457
where:
bonds (distance) C4'-P energy: -66.618
bonds (distance) P-C4' energy: -60.015
flat angles C4'-P-C4' energy: -77.025
flat angles P-C4'-P energy: -38.172
tors. eta vs tors. theta energy: -67.217
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: 3, replica: 4
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -897.261928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.261928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.261928 (E_RNA)
where:
Base-Base interactions energy: -591.997
where: short stacking energy: -271.061
Base-Backbone interact. energy: -1.297
local terms energy: -303.968168
where:
bonds (distance) C4'-P energy: -54.610
bonds (distance) P-C4' energy: -61.408
flat angles C4'-P-C4' energy: -63.700
flat angles P-C4'-P energy: -43.752
tors. eta vs tors. theta energy: -80.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -847.358003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.358003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.358003 (E_RNA)
where:
Base-Base interactions energy: -576.031
where: short stacking energy: -229.568
Base-Backbone interact. energy: -1.042
local terms energy: -270.284898
where:
bonds (distance) C4'-P energy: -51.795
bonds (distance) P-C4' energy: -62.134
flat angles C4'-P-C4' energy: -67.208
flat angles P-C4'-P energy: -43.674
tors. eta vs tors. theta energy: -45.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -755.869286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.869286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.869286 (E_RNA)
where:
Base-Base interactions energy: -495.682
where: short stacking energy: -227.601
Base-Backbone interact. energy: 4.747
local terms energy: -264.933840
where:
bonds (distance) C4'-P energy: -65.248
bonds (distance) P-C4' energy: -55.690
flat angles C4'-P-C4' energy: -44.507
flat angles P-C4'-P energy: -47.789
tors. eta vs tors. theta energy: -51.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -675.364262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.364262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.364262 (E_RNA)
where:
Base-Base interactions energy: -418.764
where: short stacking energy: -208.900
Base-Backbone interact. energy: 0.878
local terms energy: -257.478391
where:
bonds (distance) C4'-P energy: -54.563
bonds (distance) P-C4' energy: -60.454
flat angles C4'-P-C4' energy: -61.648
flat angles P-C4'-P energy: -39.188
tors. eta vs tors. theta energy: -41.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -538.708286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.708286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.708286 (E_RNA)
where:
Base-Base interactions energy: -288.265
where: short stacking energy: -156.953
Base-Backbone interact. energy: 0.244
local terms energy: -250.687873
where:
bonds (distance) C4'-P energy: -61.059
bonds (distance) P-C4' energy: -66.242
flat angles C4'-P-C4' energy: -70.009
flat angles P-C4'-P energy: -38.908
tors. eta vs tors. theta energy: -14.470
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: 8
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -414.273207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.273207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.273207 (E_RNA)
where:
Base-Base interactions energy: -200.668
where: short stacking energy: -125.488
Base-Backbone interact. energy: -1.993
local terms energy: -211.611981
where:
bonds (distance) C4'-P energy: -56.637
bonds (distance) P-C4' energy: -58.858
flat angles C4'-P-C4' energy: -53.048
flat angles P-C4'-P energy: -31.912
tors. eta vs tors. theta energy: -11.157
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: 9
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -519.432801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.432801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.432801 (E_RNA)
where:
Base-Base interactions energy: -320.864
where: short stacking energy: -152.444
Base-Backbone interact. energy: -0.556
local terms energy: -198.012789
where:
bonds (distance) C4'-P energy: -49.521
bonds (distance) P-C4' energy: -55.437
flat angles C4'-P-C4' energy: -47.475
flat angles P-C4'-P energy: -30.136
tors. eta vs tors. theta energy: -15.443
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: 7
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -301.552103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.552103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.552103 (E_RNA)
where:
Base-Base interactions energy: -113.381
where: short stacking energy: -76.829
Base-Backbone interact. energy: 2.074
local terms energy: -190.245147
where:
bonds (distance) C4'-P energy: -54.287
bonds (distance) P-C4' energy: -59.308
flat angles C4'-P-C4' energy: -43.876
flat angles P-C4'-P energy: -28.106
tors. eta vs tors. theta energy: -4.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -1024.268437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.268437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.268437 (E_RNA)
where:
Base-Base interactions energy: -702.577
where: short stacking energy: -324.774
Base-Backbone interact. energy: -1.896
local terms energy: -319.795658
where:
bonds (distance) C4'-P energy: -51.278
bonds (distance) P-C4' energy: -64.467
flat angles C4'-P-C4' energy: -73.009
flat angles P-C4'-P energy: -43.683
tors. eta vs tors. theta energy: -87.357
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: 2, replica: 6
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -890.067698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.067698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.067698 (E_RNA)
where:
Base-Base interactions energy: -602.324
where: short stacking energy: -275.579
Base-Backbone interact. energy: -1.278
local terms energy: -286.466241
where:
bonds (distance) C4'-P energy: -64.879
bonds (distance) P-C4' energy: -66.860
flat angles C4'-P-C4' energy: -58.682
flat angles P-C4'-P energy: -30.799
tors. eta vs tors. theta energy: -65.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -846.792526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.792526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.792526 (E_RNA)
where:
Base-Base interactions energy: -557.895
where: short stacking energy: -235.560
Base-Backbone interact. energy: -0.753
local terms energy: -288.144734
where:
bonds (distance) C4'-P energy: -60.794
bonds (distance) P-C4' energy: -65.587
flat angles C4'-P-C4' energy: -68.774
flat angles P-C4'-P energy: -43.730
tors. eta vs tors. theta energy: -49.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -841.758263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.758263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.758263 (E_RNA)
where:
Base-Base interactions energy: -544.198
where: short stacking energy: -237.151
Base-Backbone interact. energy: -1.589
local terms energy: -295.971596
where:
bonds (distance) C4'-P energy: -61.175
bonds (distance) P-C4' energy: -62.681
flat angles C4'-P-C4' energy: -64.946
flat angles P-C4'-P energy: -48.961
tors. eta vs tors. theta energy: -58.209
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: 5, replica: 10
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -806.053084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.053084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.053084 (E_RNA)
where:
Base-Base interactions energy: -506.983
where: short stacking energy: -241.334
Base-Backbone interact. energy: 0.450
local terms energy: -299.520584
where:
bonds (distance) C4'-P energy: -62.409
bonds (distance) P-C4' energy: -68.715
flat angles C4'-P-C4' energy: -65.936
flat angles P-C4'-P energy: -39.130
tors. eta vs tors. theta energy: -63.331
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: 6, replica: 5
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -614.711005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.711005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.711005 (E_RNA)
where:
Base-Base interactions energy: -376.109
where: short stacking energy: -191.121
Base-Backbone interact. energy: 0.685
local terms energy: -239.286897
where:
bonds (distance) C4'-P energy: -60.494
bonds (distance) P-C4' energy: -56.318
flat angles C4'-P-C4' energy: -60.292
flat angles P-C4'-P energy: -30.279
tors. eta vs tors. theta energy: -31.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -583.243817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.243817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.243817 (E_RNA)
where:
Base-Base interactions energy: -348.753
where: short stacking energy: -180.737
Base-Backbone interact. energy: -1.107
local terms energy: -233.383993
where:
bonds (distance) C4'-P energy: -62.777
bonds (distance) P-C4' energy: -66.315
flat angles C4'-P-C4' energy: -54.064
flat angles P-C4'-P energy: -22.672
tors. eta vs tors. theta energy: -27.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -484.105765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.105765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.105765 (E_RNA)
where:
Base-Base interactions energy: -270.384
where: short stacking energy: -134.399
Base-Backbone interact. energy: -0.889
local terms energy: -212.833232
where:
bonds (distance) C4'-P energy: -52.390
bonds (distance) P-C4' energy: -50.167
flat angles C4'-P-C4' energy: -48.937
flat angles P-C4'-P energy: -41.180
tors. eta vs tors. theta energy: -20.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -475.542278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.542278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.542278 (E_RNA)
where:
Base-Base interactions energy: -274.177
where: short stacking energy: -135.712
Base-Backbone interact. energy: -0.486
local terms energy: -200.878877
where:
bonds (distance) C4'-P energy: -50.442
bonds (distance) P-C4' energy: -50.025
flat angles C4'-P-C4' energy: -48.292
flat angles P-C4'-P energy: -34.764
tors. eta vs tors. theta energy: -17.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -273.326748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.326748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.326748 (E_RNA)
where:
Base-Base interactions energy: -104.712
where: short stacking energy: -95.854
Base-Backbone interact. energy: -0.567
local terms energy: -168.047454
where:
bonds (distance) C4'-P energy: -55.049
bonds (distance) P-C4' energy: -50.487
flat angles C4'-P-C4' energy: -40.576
flat angles P-C4'-P energy: -24.999
tors. eta vs tors. theta energy: 3.064
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: 1, replica: 1
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -1025.816121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.816121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.816121 (E_RNA)
where:
Base-Base interactions energy: -698.765
where: short stacking energy: -313.100
Base-Backbone interact. energy: -1.504
local terms energy: -325.547612
where:
bonds (distance) C4'-P energy: -67.452
bonds (distance) P-C4' energy: -66.931
flat angles C4'-P-C4' energy: -69.893
flat angles P-C4'-P energy: -44.164
tors. eta vs tors. theta energy: -77.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -896.849528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.849528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.849528 (E_RNA)
where:
Base-Base interactions energy: -585.003
where: short stacking energy: -289.226
Base-Backbone interact. energy: -0.256
local terms energy: -311.590960
where:
bonds (distance) C4'-P energy: -63.913
bonds (distance) P-C4' energy: -63.971
flat angles C4'-P-C4' energy: -71.023
flat angles P-C4'-P energy: -45.171
tors. eta vs tors. theta energy: -67.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -830.362639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.362639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.362639 (E_RNA)
where:
Base-Base interactions energy: -536.465
where: short stacking energy: -230.816
Base-Backbone interact. energy: 1.991
local terms energy: -295.888426
where:
bonds (distance) C4'-P energy: -59.176
bonds (distance) P-C4' energy: -76.830
flat angles C4'-P-C4' energy: -69.611
flat angles P-C4'-P energy: -44.530
tors. eta vs tors. theta energy: -45.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -830.848981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.848981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.848981 (E_RNA)
where:
Base-Base interactions energy: -570.773
where: short stacking energy: -235.103
Base-Backbone interact. energy: -1.850
local terms energy: -258.226046
where:
bonds (distance) C4'-P energy: -51.689
bonds (distance) P-C4' energy: -51.019
flat angles C4'-P-C4' energy: -62.416
flat angles P-C4'-P energy: -36.359
tors. eta vs tors. theta energy: -56.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -774.046467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.046467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.046467 (E_RNA)
where:
Base-Base interactions energy: -507.138
where: short stacking energy: -239.905
Base-Backbone interact. energy: 3.194
local terms energy: -270.101901
where:
bonds (distance) C4'-P energy: -63.866
bonds (distance) P-C4' energy: -54.126
flat angles C4'-P-C4' energy: -53.750
flat angles P-C4'-P energy: -43.997
tors. eta vs tors. theta energy: -54.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -639.661170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.661170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.661170 (E_RNA)
where:
Base-Base interactions energy: -417.164
where: short stacking energy: -205.581
Base-Backbone interact. energy: 3.085
local terms energy: -225.581546
where:
bonds (distance) C4'-P energy: -54.896
bonds (distance) P-C4' energy: -42.546
flat angles C4'-P-C4' energy: -50.308
flat angles P-C4'-P energy: -54.332
tors. eta vs tors. theta energy: -23.501
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: 7, replica: 3
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -562.799427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.799427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.799427 (E_RNA)
where:
Base-Base interactions energy: -324.770
where: short stacking energy: -156.287
Base-Backbone interact. energy: -0.982
local terms energy: -237.047392
where:
bonds (distance) C4'-P energy: -58.203
bonds (distance) P-C4' energy: -54.608
flat angles C4'-P-C4' energy: -59.874
flat angles P-C4'-P energy: -42.968
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: 9
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -541.224712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.224712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.224712 (E_RNA)
where:
Base-Base interactions energy: -310.651
where: short stacking energy: -147.532
Base-Backbone interact. energy: -3.080
local terms energy: -227.493677
where:
bonds (distance) C4'-P energy: -57.514
bonds (distance) P-C4' energy: -67.614
flat angles C4'-P-C4' energy: -51.067
flat angles P-C4'-P energy: -36.216
tors. eta vs tors. theta energy: -15.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -451.057209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.057209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.057209 (E_RNA)
where:
Base-Base interactions energy: -249.732
where: short stacking energy: -134.988
Base-Backbone interact. energy: 2.313
local terms energy: -203.638363
where:
bonds (distance) C4'-P energy: -49.486
bonds (distance) P-C4' energy: -48.989
flat angles C4'-P-C4' energy: -59.179
flat angles P-C4'-P energy: -29.023
tors. eta vs tors. theta energy: -16.961
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: 7
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -288.722392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.722392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.722392 (E_RNA)
where:
Base-Base interactions energy: -119.429
where: short stacking energy: -84.560
Base-Backbone interact. energy: 0.987
local terms energy: -170.280371
where:
bonds (distance) C4'-P energy: -41.190
bonds (distance) P-C4' energy: -60.061
flat angles C4'-P-C4' energy: -48.280
flat angles P-C4'-P energy: -35.986
tors. eta vs tors. theta energy: 15.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -1029.480768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.480768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.480768 (E_RNA)
where:
Base-Base interactions energy: -690.804
where: short stacking energy: -310.019
Base-Backbone interact. energy: 0.926
local terms energy: -339.602234
where:
bonds (distance) C4'-P energy: -66.586
bonds (distance) P-C4' energy: -67.976
flat angles C4'-P-C4' energy: -69.666
flat angles P-C4'-P energy: -50.367
tors. eta vs tors. theta energy: -85.007
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: 24
Temperature: 0.950000
Total energy: -885.667147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.667147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.667147 (E_RNA)
where:
Base-Base interactions energy: -582.648
where: short stacking energy: -282.888
Base-Backbone interact. energy: -2.690
local terms energy: -300.329691
where:
bonds (distance) C4'-P energy: -63.714
bonds (distance) P-C4' energy: -64.959
flat angles C4'-P-C4' energy: -66.374
flat angles P-C4'-P energy: -37.049
tors. eta vs tors. theta energy: -68.234
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: 4
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -911.804608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.804608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.804608 (E_RNA)
where:
Base-Base interactions energy: -595.281
where: short stacking energy: -273.685
Base-Backbone interact. energy: -0.683
local terms energy: -315.840661
where:
bonds (distance) C4'-P energy: -66.863
bonds (distance) P-C4' energy: -65.581
flat angles C4'-P-C4' energy: -66.431
flat angles P-C4'-P energy: -43.178
tors. eta vs tors. theta energy: -73.787
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: 2
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -775.573097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.573097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.573097 (E_RNA)
where:
Base-Base interactions energy: -516.357
where: short stacking energy: -235.471
Base-Backbone interact. energy: 0.526
local terms energy: -259.741890
where:
bonds (distance) C4'-P energy: -48.058
bonds (distance) P-C4' energy: -67.054
flat angles C4'-P-C4' energy: -56.359
flat angles P-C4'-P energy: -37.894
tors. eta vs tors. theta energy: -50.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -769.046201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.046201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.046201 (E_RNA)
where:
Base-Base interactions energy: -487.117
where: short stacking energy: -241.698
Base-Backbone interact. energy: -0.948
local terms energy: -280.981136
where:
bonds (distance) C4'-P energy: -59.228
bonds (distance) P-C4' energy: -67.937
flat angles C4'-P-C4' energy: -68.435
flat angles P-C4'-P energy: -32.232
tors. eta vs tors. theta energy: -53.149
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: 6, replica: 5
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -676.394858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.394858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.394858 (E_RNA)
where:
Base-Base interactions energy: -415.136
where: short stacking energy: -218.956
Base-Backbone interact. energy: 3.444
local terms energy: -264.703088
where:
bonds (distance) C4'-P energy: -62.971
bonds (distance) P-C4' energy: -61.653
flat angles C4'-P-C4' energy: -66.667
flat angles P-C4'-P energy: -36.086
tors. eta vs tors. theta energy: -37.327
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: 9
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -649.213885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.213885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.213885 (E_RNA)
where:
Base-Base interactions energy: -391.097
where: short stacking energy: -196.335
Base-Backbone interact. energy: -2.222
local terms energy: -255.895388
where:
bonds (distance) C4'-P energy: -68.931
bonds (distance) P-C4' energy: -60.515
flat angles C4'-P-C4' energy: -48.655
flat angles P-C4'-P energy: -37.763
tors. eta vs tors. theta energy: -40.031
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: 3
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -541.367712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.367712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.367712 (E_RNA)
where:
Base-Base interactions energy: -319.125
where: short stacking energy: -170.601
Base-Backbone interact. energy: 1.796
local terms energy: -224.038774
where:
bonds (distance) C4'-P energy: -51.324
bonds (distance) P-C4' energy: -58.079
flat angles C4'-P-C4' energy: -49.193
flat angles P-C4'-P energy: -42.446
tors. eta vs tors. theta energy: -22.997
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: 8
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -446.022611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.022611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.022611 (E_RNA)
where:
Base-Base interactions energy: -251.192
where: short stacking energy: -126.703
Base-Backbone interact. energy: -2.156
local terms energy: -192.674601
where:
bonds (distance) C4'-P energy: -32.460
bonds (distance) P-C4' energy: -58.655
flat angles C4'-P-C4' energy: -51.396
flat angles P-C4'-P energy: -34.952
tors. eta vs tors. theta energy: -15.212
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: 7
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -315.572028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.572028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.572028 (E_RNA)
where:
Base-Base interactions energy: -120.677
where: short stacking energy: -117.624
Base-Backbone interact. energy: 4.470
local terms energy: -199.365628
where:
bonds (distance) C4'-P energy: -49.708
bonds (distance) P-C4' energy: -46.940
flat angles C4'-P-C4' energy: -62.279
flat angles P-C4'-P energy: -33.484
tors. eta vs tors. theta energy: -6.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -1029.329969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.329969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.329969 (E_RNA)
where:
Base-Base interactions energy: -699.547
where: short stacking energy: -299.685
Base-Backbone interact. energy: -1.239
local terms energy: -328.544617
where:
bonds (distance) C4'-P energy: -67.182
bonds (distance) P-C4' energy: -63.062
flat angles C4'-P-C4' energy: -74.420
flat angles P-C4'-P energy: -45.333
tors. eta vs tors. theta energy: -78.548
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: 2, replica: 4
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -936.189963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.189963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.189963 (E_RNA)
where:
Base-Base interactions energy: -599.027
where: short stacking energy: -294.881
Base-Backbone interact. energy: 0.490
local terms energy: -337.653252
where:
bonds (distance) C4'-P energy: -66.995
bonds (distance) P-C4' energy: -66.049
flat angles C4'-P-C4' energy: -74.485
flat angles P-C4'-P energy: -52.686
tors. eta vs tors. theta energy: -77.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -888.462847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.462847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.462847 (E_RNA)
where:
Base-Base interactions energy: -583.481
where: short stacking energy: -302.454
Base-Backbone interact. energy: -0.045
local terms energy: -304.937344
where:
bonds (distance) C4'-P energy: -61.070
bonds (distance) P-C4' energy: -57.369
flat angles C4'-P-C4' energy: -65.807
flat angles P-C4'-P energy: -36.762
tors. eta vs tors. theta energy: -83.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -787.476774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.476774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.476774 (E_RNA)
where:
Base-Base interactions energy: -522.435
where: short stacking energy: -220.243
Base-Backbone interact. energy: -0.367
local terms energy: -264.674509
where:
bonds (distance) C4'-P energy: -50.336
bonds (distance) P-C4' energy: -70.563
flat angles C4'-P-C4' energy: -62.179
flat angles P-C4'-P energy: -37.446
tors. eta vs tors. theta energy: -44.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -759.763243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.763243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.763243 (E_RNA)
where:
Base-Base interactions energy: -470.923
where: short stacking energy: -215.834
Base-Backbone interact. energy: -0.920
local terms energy: -287.920562
where:
bonds (distance) C4'-P energy: -60.421
bonds (distance) P-C4' energy: -66.245
flat angles C4'-P-C4' energy: -62.563
flat angles P-C4'-P energy: -42.648
tors. eta vs tors. theta energy: -56.043
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: 9
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -661.481536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.481536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.481536 (E_RNA)
where:
Base-Base interactions energy: -389.598
where: short stacking energy: -202.657
Base-Backbone interact. energy: -2.000
local terms energy: -269.883770
where:
bonds (distance) C4'-P energy: -53.943
bonds (distance) P-C4' energy: -64.568
flat angles C4'-P-C4' energy: -61.319
flat angles P-C4'-P energy: -37.129
tors. eta vs tors. theta energy: -52.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -656.467242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.467242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.467242 (E_RNA)
where:
Base-Base interactions energy: -406.300
where: short stacking energy: -193.934
Base-Backbone interact. energy: 1.905
local terms energy: -252.072236
where:
bonds (distance) C4'-P energy: -43.094
bonds (distance) P-C4' energy: -67.854
flat angles C4'-P-C4' energy: -57.934
flat angles P-C4'-P energy: -46.066
tors. eta vs tors. theta energy: -37.124
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: 3
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -537.518710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.518710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.518710 (E_RNA)
where:
Base-Base interactions energy: -303.048
where: short stacking energy: -141.897
Base-Backbone interact. energy: -0.388
local terms energy: -234.082795
where:
bonds (distance) C4'-P energy: -70.487
bonds (distance) P-C4' energy: -53.986
flat angles C4'-P-C4' energy: -57.025
flat angles P-C4'-P energy: -26.908
tors. eta vs tors. theta energy: -25.677
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: 8
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -479.777620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.777620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.777620 (E_RNA)
where:
Base-Base interactions energy: -255.859
where: short stacking energy: -123.980
Base-Backbone interact. energy: 0.534
local terms energy: -224.453117
where:
bonds (distance) C4'-P energy: -55.529
bonds (distance) P-C4' energy: -52.989
flat angles C4'-P-C4' energy: -44.989
flat angles P-C4'-P energy: -48.468
tors. eta vs tors. theta energy: -22.479
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: 7
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -293.180451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.180451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.180451 (E_RNA)
where:
Base-Base interactions energy: -128.465
where: short stacking energy: -103.093
Base-Backbone interact. energy: -1.093
local terms energy: -163.622619
where:
bonds (distance) C4'-P energy: -52.910
bonds (distance) P-C4' energy: -46.617
flat angles C4'-P-C4' energy: -46.366
flat angles P-C4'-P energy: -22.028
tors. eta vs tors. theta energy: 4.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -1048.633079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.633079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.633079 (E_RNA)
where:
Base-Base interactions energy: -708.818
where: short stacking energy: -301.607
Base-Backbone interact. energy: -1.019
local terms energy: -338.796149
where:
bonds (distance) C4'-P energy: -69.211
bonds (distance) P-C4' energy: -70.429
flat angles C4'-P-C4' energy: -73.966
flat angles P-C4'-P energy: -46.162
tors. eta vs tors. theta energy: -79.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -935.156114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.156114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.156114 (E_RNA)
where:
Base-Base interactions energy: -624.381
where: short stacking energy: -281.579
Base-Backbone interact. energy: 3.367
local terms energy: -314.141819
where:
bonds (distance) C4'-P energy: -66.565
bonds (distance) P-C4' energy: -63.798
flat angles C4'-P-C4' energy: -63.234
flat angles P-C4'-P energy: -44.745
tors. eta vs tors. theta energy: -75.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -879.284089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.284089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.284089 (E_RNA)
where:
Base-Base interactions energy: -597.278
where: short stacking energy: -266.888
Base-Backbone interact. energy: -0.553
local terms energy: -281.452677
where:
bonds (distance) C4'-P energy: -66.843
bonds (distance) P-C4' energy: -54.807
flat angles C4'-P-C4' energy: -65.590
flat angles P-C4'-P energy: -40.437
tors. eta vs tors. theta energy: -53.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -828.400506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.400506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.400506 (E_RNA)
where:
Base-Base interactions energy: -524.854
where: short stacking energy: -256.568
Base-Backbone interact. energy: -1.133
local terms energy: -302.413413
where:
bonds (distance) C4'-P energy: -49.144
bonds (distance) P-C4' energy: -63.809
flat angles C4'-P-C4' energy: -74.826
flat angles P-C4'-P energy: -52.862
tors. eta vs tors. theta energy: -61.772
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: 10
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -734.815869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.815869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.815869 (E_RNA)
where:
Base-Base interactions energy: -462.086
where: short stacking energy: -219.212
Base-Backbone interact. energy: -0.962
local terms energy: -271.767785
where:
bonds (distance) C4'-P energy: -54.912
bonds (distance) P-C4' energy: -64.840
flat angles C4'-P-C4' energy: -59.873
flat angles P-C4'-P energy: -47.534
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: 6, replica: 9
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -726.840186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.840186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.840186 (E_RNA)
where:
Base-Base interactions energy: -442.902
where: short stacking energy: -231.170
Base-Backbone interact. energy: 0.526
local terms energy: -284.464992
where:
bonds (distance) C4'-P energy: -57.794
bonds (distance) P-C4' energy: -61.330
flat angles C4'-P-C4' energy: -62.533
flat angles P-C4'-P energy: -45.677
tors. eta vs tors. theta energy: -57.130
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: 5
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -650.850187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.850187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.850187 (E_RNA)
where:
Base-Base interactions energy: -387.188
where: short stacking energy: -185.178
Base-Backbone interact. energy: -1.447
local terms energy: -262.215463
where:
bonds (distance) C4'-P energy: -49.910
bonds (distance) P-C4' energy: -69.045
flat angles C4'-P-C4' energy: -62.522
flat angles P-C4'-P energy: -37.276
tors. eta vs tors. theta energy: -43.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -468.210650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.210650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.210650 (E_RNA)
where:
Base-Base interactions energy: -259.603
where: short stacking energy: -148.354
Base-Backbone interact. energy: 4.621
local terms energy: -213.228157
where:
bonds (distance) C4'-P energy: -59.832
bonds (distance) P-C4' energy: -59.501
flat angles C4'-P-C4' energy: -35.729
flat angles P-C4'-P energy: -35.298
tors. eta vs tors. theta energy: -22.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -450.481311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.481311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.481311 (E_RNA)
where:
Base-Base interactions energy: -239.546
where: short stacking energy: -138.049
Base-Backbone interact. energy: -0.775
local terms energy: -210.160932
where:
bonds (distance) C4'-P energy: -56.755
bonds (distance) P-C4' energy: -50.032
flat angles C4'-P-C4' energy: -58.878
flat angles P-C4'-P energy: -28.585
tors. eta vs tors. theta energy: -15.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -292.579983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.579983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.579983 (E_RNA)
where:
Base-Base interactions energy: -109.799
where: short stacking energy: -89.150
Base-Backbone interact. energy: -0.563
local terms energy: -182.218629
where:
bonds (distance) C4'-P energy: -55.244
bonds (distance) P-C4' energy: -46.789
flat angles C4'-P-C4' energy: -52.440
flat angles P-C4'-P energy: -21.191
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: 1, replica: 1
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -1037.108574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.108574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.108574 (E_RNA)
where:
Base-Base interactions energy: -691.456
where: short stacking energy: -323.118
Base-Backbone interact. energy: 1.053
local terms energy: -346.705945
where:
bonds (distance) C4'-P energy: -67.088
bonds (distance) P-C4' energy: -68.884
flat angles C4'-P-C4' energy: -75.032
flat angles P-C4'-P energy: -47.803
tors. eta vs tors. theta energy: -87.899
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: 2, replica: 4
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -960.110833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.110833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.110833 (E_RNA)
where:
Base-Base interactions energy: -635.231
where: short stacking energy: -306.174
Base-Backbone interact. energy: -0.848
local terms energy: -324.031522
where:
bonds (distance) C4'-P energy: -56.921
bonds (distance) P-C4' energy: -65.614
flat angles C4'-P-C4' energy: -75.393
flat angles P-C4'-P energy: -45.823
tors. eta vs tors. theta energy: -80.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -838.210013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.210013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.210013 (E_RNA)
where:
Base-Base interactions energy: -552.952
where: short stacking energy: -242.002
Base-Backbone interact. energy: -1.982
local terms energy: -283.275622
where:
bonds (distance) C4'-P energy: -59.410
bonds (distance) P-C4' energy: -74.229
flat angles C4'-P-C4' energy: -66.353
flat angles P-C4'-P energy: -39.696
tors. eta vs tors. theta energy: -43.587
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: 6
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -851.811386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.811386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.811386 (E_RNA)
where:
Base-Base interactions energy: -565.138
where: short stacking energy: -263.625
Base-Backbone interact. energy: 0.152
local terms energy: -286.824700
where:
bonds (distance) C4'-P energy: -61.453
bonds (distance) P-C4' energy: -64.672
flat angles C4'-P-C4' energy: -59.522
flat angles P-C4'-P energy: -41.063
tors. eta vs tors. theta energy: -60.115
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: 10
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -720.522096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.522096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.522096 (E_RNA)
where:
Base-Base interactions energy: -452.942
where: short stacking energy: -219.322
Base-Backbone interact. energy: -1.382
local terms energy: -266.198082
where:
bonds (distance) C4'-P energy: -67.553
bonds (distance) P-C4' energy: -51.287
flat angles C4'-P-C4' energy: -55.920
flat angles P-C4'-P energy: -44.854
tors. eta vs tors. theta energy: -46.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -659.323566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.323566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.323566 (E_RNA)
where:
Base-Base interactions energy: -392.734
where: short stacking energy: -204.813
Base-Backbone interact. energy: -0.460
local terms energy: -266.129543
where:
bonds (distance) C4'-P energy: -61.812
bonds (distance) P-C4' energy: -58.821
flat angles C4'-P-C4' energy: -68.081
flat angles P-C4'-P energy: -34.330
tors. eta vs tors. theta energy: -43.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -653.376448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.376448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.376448 (E_RNA)
where:
Base-Base interactions energy: -401.990
where: short stacking energy: -189.028
Base-Backbone interact. energy: -0.630
local terms energy: -250.756615
where:
bonds (distance) C4'-P energy: -69.217
bonds (distance) P-C4' energy: -54.109
flat angles C4'-P-C4' energy: -58.164
flat angles P-C4'-P energy: -31.809
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: 8, replica: 8
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -522.218800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.218800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.218800 (E_RNA)
where:
Base-Base interactions energy: -310.616
where: short stacking energy: -182.402
Base-Backbone interact. energy: -1.844
local terms energy: -209.758220
where:
bonds (distance) C4'-P energy: -48.157
bonds (distance) P-C4' energy: -55.494
flat angles C4'-P-C4' energy: -50.018
flat angles P-C4'-P energy: -34.158
tors. eta vs tors. theta energy: -21.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -481.101226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.101226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.101226 (E_RNA)
where:
Base-Base interactions energy: -270.862
where: short stacking energy: -132.836
Base-Backbone interact. energy: -0.706
local terms energy: -209.534035
where:
bonds (distance) C4'-P energy: -62.323
bonds (distance) P-C4' energy: -54.884
flat angles C4'-P-C4' energy: -52.807
flat angles P-C4'-P energy: -33.338
tors. eta vs tors. theta energy: -6.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -306.832180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.832180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.832180 (E_RNA)
where:
Base-Base interactions energy: -138.450
where: short stacking energy: -82.817
Base-Backbone interact. energy: 1.812
local terms energy: -170.193659
where:
bonds (distance) C4'-P energy: -58.127
bonds (distance) P-C4' energy: -54.015
flat angles C4'-P-C4' energy: -49.802
flat angles P-C4'-P energy: -24.256
tors. eta vs tors. theta energy: 16.007
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: 1
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -1061.908442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.908442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.908442 (E_RNA)
where:
Base-Base interactions energy: -715.372
where: short stacking energy: -337.317
Base-Backbone interact. energy: -1.115
local terms energy: -345.421371
where:
bonds (distance) C4'-P energy: -74.384
bonds (distance) P-C4' energy: -64.641
flat angles C4'-P-C4' energy: -68.185
flat angles P-C4'-P energy: -53.184
tors. eta vs tors. theta energy: -85.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -936.322772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.322772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.322772 (E_RNA)
where:
Base-Base interactions energy: -620.482
where: short stacking energy: -294.966
Base-Backbone interact. energy: -0.200
local terms energy: -315.640898
where:
bonds (distance) C4'-P energy: -59.133
bonds (distance) P-C4' energy: -60.725
flat angles C4'-P-C4' energy: -75.265
flat angles P-C4'-P energy: -46.903
tors. eta vs tors. theta energy: -73.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -848.803047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.803047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.803047 (E_RNA)
where:
Base-Base interactions energy: -538.776
where: short stacking energy: -253.045
Base-Backbone interact. energy: 0.646
local terms energy: -310.673057
where:
bonds (distance) C4'-P energy: -73.355
bonds (distance) P-C4' energy: -60.987
flat angles C4'-P-C4' energy: -67.578
flat angles P-C4'-P energy: -45.531
tors. eta vs tors. theta energy: -63.223
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: 28
Temperature: 1.050000
Total energy: -800.039731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.039731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.039731 (E_RNA)
where:
Base-Base interactions energy: -543.140
where: short stacking energy: -220.769
Base-Backbone interact. energy: -1.000
local terms energy: -255.899483
where:
bonds (distance) C4'-P energy: -53.690
bonds (distance) P-C4' energy: -68.015
flat angles C4'-P-C4' energy: -56.554
flat angles P-C4'-P energy: -38.166
tors. eta vs tors. theta energy: -39.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -783.719727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.719727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.719727 (E_RNA)
where:
Base-Base interactions energy: -501.963
where: short stacking energy: -237.910
Base-Backbone interact. energy: -0.257
local terms energy: -281.500070
where:
bonds (distance) C4'-P energy: -50.543
bonds (distance) P-C4' energy: -68.907
flat angles C4'-P-C4' energy: -63.108
flat angles P-C4'-P energy: -46.664
tors. eta vs tors. theta energy: -52.279
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: 9
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -643.101360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.101360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.101360 (E_RNA)
where:
Base-Base interactions energy: -384.320
where: short stacking energy: -198.503
Base-Backbone interact. energy: 3.905
local terms energy: -262.686392
where:
bonds (distance) C4'-P energy: -53.671
bonds (distance) P-C4' energy: -66.959
flat angles C4'-P-C4' energy: -58.635
flat angles P-C4'-P energy: -39.425
tors. eta vs tors. theta energy: -43.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -661.366157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.366157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.366157 (E_RNA)
where:
Base-Base interactions energy: -392.631
where: short stacking energy: -184.846
Base-Backbone interact. energy: -0.647
local terms energy: -268.088102
where:
bonds (distance) C4'-P energy: -61.552
bonds (distance) P-C4' energy: -60.484
flat angles C4'-P-C4' energy: -56.313
flat angles P-C4'-P energy: -41.150
tors. eta vs tors. theta energy: -48.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -530.714337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.714337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.714337 (E_RNA)
where:
Base-Base interactions energy: -282.018
where: short stacking energy: -179.560
Base-Backbone interact. energy: -2.079
local terms energy: -246.617725
where:
bonds (distance) C4'-P energy: -48.833
bonds (distance) P-C4' energy: -58.646
flat angles C4'-P-C4' energy: -55.566
flat angles P-C4'-P energy: -40.095
tors. eta vs tors. theta energy: -43.477
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: 3
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -521.297848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.297848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.297848 (E_RNA)
where:
Base-Base interactions energy: -289.570
where: short stacking energy: -131.929
Base-Backbone interact. energy: -1.389
local terms energy: -230.338729
where:
bonds (distance) C4'-P energy: -60.430
bonds (distance) P-C4' energy: -54.278
flat angles C4'-P-C4' energy: -62.566
flat angles P-C4'-P energy: -35.194
tors. eta vs tors. theta energy: -17.870
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: 10, replica: 7
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -261.541054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.541054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.541054 (E_RNA)
where:
Base-Base interactions energy: -84.547
where: short stacking energy: -64.162
Base-Backbone interact. energy: -0.519
local terms energy: -176.474885
where:
bonds (distance) C4'-P energy: -64.963
bonds (distance) P-C4' energy: -56.523
flat angles C4'-P-C4' energy: -43.308
flat angles P-C4'-P energy: -35.076
tors. eta vs tors. theta energy: 23.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -1070.578691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.578691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.578691 (E_RNA)
where:
Base-Base interactions energy: -731.169
where: short stacking energy: -331.685
Base-Backbone interact. energy: -0.904
local terms energy: -338.505994
where:
bonds (distance) C4'-P energy: -71.500
bonds (distance) P-C4' energy: -70.228
flat angles C4'-P-C4' energy: -61.085
flat angles P-C4'-P energy: -49.021
tors. eta vs tors. theta energy: -86.673
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: 4
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -955.583291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.583291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.583291 (E_RNA)
where:
Base-Base interactions energy: -635.049
where: short stacking energy: -278.362
Base-Backbone interact. energy: -1.301
local terms energy: -319.232344
where:
bonds (distance) C4'-P energy: -64.729
bonds (distance) P-C4' energy: -69.762
flat angles C4'-P-C4' energy: -71.910
flat angles P-C4'-P energy: -35.380
tors. eta vs tors. theta energy: -77.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -870.688479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.688479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.688479 (E_RNA)
where:
Base-Base interactions energy: -553.722
where: short stacking energy: -266.039
Base-Backbone interact. energy: -1.830
local terms energy: -315.137242
where:
bonds (distance) C4'-P energy: -58.013
bonds (distance) P-C4' energy: -72.944
flat angles C4'-P-C4' energy: -61.378
flat angles P-C4'-P energy: -44.968
tors. eta vs tors. theta energy: -77.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -859.642563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.642563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.642563 (E_RNA)
where:
Base-Base interactions energy: -583.125
where: short stacking energy: -240.972
Base-Backbone interact. energy: -0.706
local terms energy: -275.811639
where:
bonds (distance) C4'-P energy: -54.317
bonds (distance) P-C4' energy: -59.631
flat angles C4'-P-C4' energy: -68.910
flat angles P-C4'-P energy: -41.667
tors. eta vs tors. theta energy: -51.286
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: 10
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -799.207367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.207367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.207367 (E_RNA)
where:
Base-Base interactions energy: -502.794
where: short stacking energy: -243.959
Base-Backbone interact. energy: 0.103
local terms energy: -296.516241
where:
bonds (distance) C4'-P energy: -68.312
bonds (distance) P-C4' energy: -68.665
flat angles C4'-P-C4' energy: -61.393
flat angles P-C4'-P energy: -34.564
tors. eta vs tors. theta energy: -63.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -719.384584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.384584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.384584 (E_RNA)
where:
Base-Base interactions energy: -440.836
where: short stacking energy: -197.551
Base-Backbone interact. energy: -0.869
local terms energy: -277.679514
where:
bonds (distance) C4'-P energy: -59.244
bonds (distance) P-C4' energy: -58.701
flat angles C4'-P-C4' energy: -67.540
flat angles P-C4'-P energy: -46.414
tors. eta vs tors. theta energy: -45.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -588.063916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.063916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.063916 (E_RNA)
where:
Base-Base interactions energy: -362.099
where: short stacking energy: -184.213
Base-Backbone interact. energy: -1.093
local terms energy: -224.871950
where:
bonds (distance) C4'-P energy: -54.345
bonds (distance) P-C4' energy: -52.645
flat angles C4'-P-C4' energy: -52.076
flat angles P-C4'-P energy: -36.115
tors. eta vs tors. theta energy: -29.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -538.664575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.664575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.664575 (E_RNA)
where:
Base-Base interactions energy: -314.457
where: short stacking energy: -147.011
Base-Backbone interact. energy: -2.259
local terms energy: -221.948568
where:
bonds (distance) C4'-P energy: -55.554
bonds (distance) P-C4' energy: -59.441
flat angles C4'-P-C4' energy: -49.135
flat angles P-C4'-P energy: -42.408
tors. eta vs tors. theta energy: -15.411
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: 9, replica: 8
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -516.847331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.847331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.847331 (E_RNA)
where:
Base-Base interactions energy: -299.324
where: short stacking energy: -148.341
Base-Backbone interact. energy: -0.199
local terms energy: -217.323901
where:
bonds (distance) C4'-P energy: -57.445
bonds (distance) P-C4' energy: -51.515
flat angles C4'-P-C4' energy: -57.144
flat angles P-C4'-P energy: -29.687
tors. eta vs tors. theta energy: -21.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -280.684831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.684831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.684831 (E_RNA)
where:
Base-Base interactions energy: -95.233
where: short stacking energy: -65.954
Base-Backbone interact. energy: -0.373
local terms energy: -185.078793
where:
bonds (distance) C4'-P energy: -38.710
bonds (distance) P-C4' energy: -62.777
flat angles C4'-P-C4' energy: -51.467
flat angles P-C4'-P energy: -30.025
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: 1, replica: 1
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -1069.033313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.033313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.033313 (E_RNA)
where:
Base-Base interactions energy: -732.757
where: short stacking energy: -330.873
Base-Backbone interact. energy: -0.199
local terms energy: -336.077231
where:
bonds (distance) C4'-P energy: -64.615
bonds (distance) P-C4' energy: -67.332
flat angles C4'-P-C4' energy: -69.070
flat angles P-C4'-P energy: -46.380
tors. eta vs tors. theta energy: -88.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -974.286902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.286902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.286902 (E_RNA)
where:
Base-Base interactions energy: -656.316
where: short stacking energy: -279.037
Base-Backbone interact. energy: 1.814
local terms energy: -319.785231
where:
bonds (distance) C4'-P energy: -56.413
bonds (distance) P-C4' energy: -65.653
flat angles C4'-P-C4' energy: -74.517
flat angles P-C4'-P energy: -43.808
tors. eta vs tors. theta energy: -79.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -862.126266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.126266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.126266 (E_RNA)
where:
Base-Base interactions energy: -572.753
where: short stacking energy: -258.141
Base-Backbone interact. energy: -1.990
local terms energy: -287.383008
where:
bonds (distance) C4'-P energy: -50.680
bonds (distance) P-C4' energy: -61.725
flat angles C4'-P-C4' energy: -71.753
flat angles P-C4'-P energy: -40.348
tors. eta vs tors. theta energy: -62.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -845.976978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.976978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.976978 (E_RNA)
where:
Base-Base interactions energy: -574.459
where: short stacking energy: -243.860
Base-Backbone interact. energy: 5.128
local terms energy: -276.646330
where:
bonds (distance) C4'-P energy: -59.558
bonds (distance) P-C4' energy: -56.122
flat angles C4'-P-C4' energy: -69.047
flat angles P-C4'-P energy: -35.798
tors. eta vs tors. theta energy: -56.122
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: 10
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -822.326660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.326660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.326660 (E_RNA)
where:
Base-Base interactions energy: -546.585
where: short stacking energy: -261.255
Base-Backbone interact. energy: 0.569
local terms energy: -276.310729
where:
bonds (distance) C4'-P energy: -54.755
bonds (distance) P-C4' energy: -70.529
flat angles C4'-P-C4' energy: -58.599
flat angles P-C4'-P energy: -34.065
tors. eta vs tors. theta energy: -58.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -717.912044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.912044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.912044 (E_RNA)
where:
Base-Base interactions energy: -456.640
where: short stacking energy: -214.778
Base-Backbone interact. energy: -0.944
local terms energy: -260.327969
where:
bonds (distance) C4'-P energy: -58.669
bonds (distance) P-C4' energy: -54.257
flat angles C4'-P-C4' energy: -67.217
flat angles P-C4'-P energy: -33.843
tors. eta vs tors. theta energy: -46.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -593.229510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.229510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.229510 (E_RNA)
where:
Base-Base interactions energy: -342.409
where: short stacking energy: -169.177
Base-Backbone interact. energy: -0.949
local terms energy: -249.871852
where:
bonds (distance) C4'-P energy: -50.711
bonds (distance) P-C4' energy: -65.926
flat angles C4'-P-C4' energy: -58.967
flat angles P-C4'-P energy: -38.066
tors. eta vs tors. theta energy: -36.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -568.762845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.762845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.762845 (E_RNA)
where:
Base-Base interactions energy: -327.498
where: short stacking energy: -151.866
Base-Backbone interact. energy: 1.734
local terms energy: -242.999590
where:
bonds (distance) C4'-P energy: -52.447
bonds (distance) P-C4' energy: -63.033
flat angles C4'-P-C4' energy: -65.903
flat angles P-C4'-P energy: -34.624
tors. eta vs tors. theta energy: -26.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -504.671876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.671876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.671876 (E_RNA)
where:
Base-Base interactions energy: -307.975
where: short stacking energy: -151.717
Base-Backbone interact. energy: 0.737
local terms energy: -197.433726
where:
bonds (distance) C4'-P energy: -47.236
bonds (distance) P-C4' energy: -52.096
flat angles C4'-P-C4' energy: -48.548
flat angles P-C4'-P energy: -32.888
tors. eta vs tors. theta energy: -16.666
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: 10, replica: 7
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -279.635278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.635278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.635278 (E_RNA)
where:
Base-Base interactions energy: -97.511
where: short stacking energy: -90.678
Base-Backbone interact. energy: -1.087
local terms energy: -181.037054
where:
bonds (distance) C4'-P energy: -60.553
bonds (distance) P-C4' energy: -58.265
flat angles C4'-P-C4' energy: -55.166
flat angles P-C4'-P energy: -20.747
tors. eta vs tors. theta energy: 13.695
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: 1
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -1063.239325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.239325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.239325 (E_RNA)
where:
Base-Base interactions energy: -721.272
where: short stacking energy: -329.975
Base-Backbone interact. energy: -1.357
local terms energy: -340.609536
where:
bonds (distance) C4'-P energy: -66.992
bonds (distance) P-C4' energy: -63.758
flat angles C4'-P-C4' energy: -76.554
flat angles P-C4'-P energy: -50.567
tors. eta vs tors. theta energy: -82.737
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: 4
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -997.121672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.121672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.121672 (E_RNA)
where:
Base-Base interactions energy: -655.323
where: short stacking energy: -287.209
Base-Backbone interact. energy: -2.497
local terms energy: -339.301227
where:
bonds (distance) C4'-P energy: -62.744
bonds (distance) P-C4' energy: -75.371
flat angles C4'-P-C4' energy: -71.944
flat angles P-C4'-P energy: -50.177
tors. eta vs tors. theta energy: -79.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -892.320978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.320978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.320978 (E_RNA)
where:
Base-Base interactions energy: -584.912
where: short stacking energy: -275.972
Base-Backbone interact. energy: -0.199
local terms energy: -307.209637
where:
bonds (distance) C4'-P energy: -66.200
bonds (distance) P-C4' energy: -68.562
flat angles C4'-P-C4' energy: -67.004
flat angles P-C4'-P energy: -40.879
tors. eta vs tors. theta energy: -64.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -869.405444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.405444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.405444 (E_RNA)
where:
Base-Base interactions energy: -580.362
where: short stacking energy: -235.161
Base-Backbone interact. energy: -0.960
local terms energy: -288.083272
where:
bonds (distance) C4'-P energy: -64.116
bonds (distance) P-C4' energy: -66.617
flat angles C4'-P-C4' energy: -64.424
flat angles P-C4'-P energy: -31.540
tors. eta vs tors. theta energy: -61.387
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: 10
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -834.158902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.158902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.158902 (E_RNA)
where:
Base-Base interactions energy: -547.078
where: short stacking energy: -256.211
Base-Backbone interact. energy: -2.163
local terms energy: -284.917807
where:
bonds (distance) C4'-P energy: -49.354
bonds (distance) P-C4' energy: -65.294
flat angles C4'-P-C4' energy: -59.546
flat angles P-C4'-P energy: -39.491
tors. eta vs tors. theta energy: -71.233
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: 9
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -752.989020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.989020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.989020 (E_RNA)
where:
Base-Base interactions energy: -496.308
where: short stacking energy: -196.877
Base-Backbone interact. energy: -0.945
local terms energy: -255.735699
where:
bonds (distance) C4'-P energy: -49.645
bonds (distance) P-C4' energy: -59.641
flat angles C4'-P-C4' energy: -62.118
flat angles P-C4'-P energy: -48.075
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: 7, replica: 3
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -622.865740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.865740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.865740 (E_RNA)
where:
Base-Base interactions energy: -371.427
where: short stacking energy: -182.590
Base-Backbone interact. energy: 0.332
local terms energy: -251.770858
where:
bonds (distance) C4'-P energy: -67.218
bonds (distance) P-C4' energy: -55.893
flat angles C4'-P-C4' energy: -56.018
flat angles P-C4'-P energy: -35.281
tors. eta vs tors. theta energy: -37.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -581.080190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.080190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.080190 (E_RNA)
where:
Base-Base interactions energy: -338.624
where: short stacking energy: -159.489
Base-Backbone interact. energy: -1.236
local terms energy: -241.220186
where:
bonds (distance) C4'-P energy: -59.743
bonds (distance) P-C4' energy: -68.586
flat angles C4'-P-C4' energy: -48.520
flat angles P-C4'-P energy: -30.148
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: 9, replica: 8
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -483.500979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.500979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.500979 (E_RNA)
where:
Base-Base interactions energy: -275.432
where: short stacking energy: -155.051
Base-Backbone interact. energy: -1.018
local terms energy: -207.050856
where:
bonds (distance) C4'-P energy: -56.338
bonds (distance) P-C4' energy: -65.591
flat angles C4'-P-C4' energy: -48.011
flat angles P-C4'-P energy: -22.823
tors. eta vs tors. theta energy: -14.288
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: 7
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -288.013857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.013857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.013857 (E_RNA)
where:
Base-Base interactions energy: -99.710
where: short stacking energy: -94.644
Base-Backbone interact. energy: -0.937
local terms energy: -187.366316
where:
bonds (distance) C4'-P energy: -56.933
bonds (distance) P-C4' energy: -54.185
flat angles C4'-P-C4' energy: -47.468
flat angles P-C4'-P energy: -39.349
tors. eta vs tors. theta energy: 10.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -1023.015403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.015403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.015403 (E_RNA)
where:
Base-Base interactions energy: -672.924
where: short stacking energy: -299.092
Base-Backbone interact. energy: -1.768
local terms energy: -348.323097
where:
bonds (distance) C4'-P energy: -64.148
bonds (distance) P-C4' energy: -64.126
flat angles C4'-P-C4' energy: -78.994
flat angles P-C4'-P energy: -57.001
tors. eta vs tors. theta energy: -84.054
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: 1
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -1028.363573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.363573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.363573 (E_RNA)
where:
Base-Base interactions energy: -683.925
where: short stacking energy: -312.775
Base-Backbone interact. energy: -1.747
local terms energy: -342.691498
where:
bonds (distance) C4'-P energy: -63.640
bonds (distance) P-C4' energy: -67.553
flat angles C4'-P-C4' energy: -71.437
flat angles P-C4'-P energy: -48.337
tors. eta vs tors. theta energy: -91.724
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: 6
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -894.099568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.099568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.099568 (E_RNA)
where:
Base-Base interactions energy: -590.143
where: short stacking energy: -271.750
Base-Backbone interact. energy: -0.360
local terms energy: -303.596491
where:
bonds (distance) C4'-P energy: -63.771
bonds (distance) P-C4' energy: -65.465
flat angles C4'-P-C4' energy: -72.172
flat angles P-C4'-P energy: -46.998
tors. eta vs tors. theta energy: -55.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -818.417909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.417909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.417909 (E_RNA)
where:
Base-Base interactions energy: -526.590
where: short stacking energy: -237.053
Base-Backbone interact. energy: -1.182
local terms energy: -290.645515
where:
bonds (distance) C4'-P energy: -49.044
bonds (distance) P-C4' energy: -73.992
flat angles C4'-P-C4' energy: -66.247
flat angles P-C4'-P energy: -42.184
tors. eta vs tors. theta energy: -59.179
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: 10
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -792.995283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.995283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.995283 (E_RNA)
where:
Base-Base interactions energy: -502.289
where: short stacking energy: -238.368
Base-Backbone interact. energy: -0.922
local terms energy: -289.784593
where:
bonds (distance) C4'-P energy: -70.912
bonds (distance) P-C4' energy: -53.095
flat angles C4'-P-C4' energy: -64.285
flat angles P-C4'-P energy: -41.683
tors. eta vs tors. theta energy: -59.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -789.102393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.102393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.102393 (E_RNA)
where:
Base-Base interactions energy: -512.371
where: short stacking energy: -230.262
Base-Backbone interact. energy: 2.751
local terms energy: -279.482330
where:
bonds (distance) C4'-P energy: -58.918
bonds (distance) P-C4' energy: -62.378
flat angles C4'-P-C4' energy: -68.153
flat angles P-C4'-P energy: -39.084
tors. eta vs tors. theta energy: -50.949
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: 7, replica: 3
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -624.842047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.842047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.842047 (E_RNA)
where:
Base-Base interactions energy: -389.721
where: short stacking energy: -183.820
Base-Backbone interact. energy: 0.037
local terms energy: -235.158382
where:
bonds (distance) C4'-P energy: -49.795
bonds (distance) P-C4' energy: -54.035
flat angles C4'-P-C4' energy: -45.803
flat angles P-C4'-P energy: -51.239
tors. eta vs tors. theta energy: -34.287
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: 32
Temperature: 1.250000
Total energy: -497.813988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.813988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.813988 (E_RNA)
where:
Base-Base interactions energy: -284.106
where: short stacking energy: -154.404
Base-Backbone interact. energy: -2.017
local terms energy: -211.691120
where:
bonds (distance) C4'-P energy: -53.208
bonds (distance) P-C4' energy: -57.522
flat angles C4'-P-C4' energy: -44.387
flat angles P-C4'-P energy: -34.668
tors. eta vs tors. theta energy: -21.906
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: 8
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -478.364542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.364542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.364542 (E_RNA)
where:
Base-Base interactions energy: -261.547
where: short stacking energy: -138.325
Base-Backbone interact. energy: 1.264
local terms energy: -218.081538
where:
bonds (distance) C4'-P energy: -63.870
bonds (distance) P-C4' energy: -49.022
flat angles C4'-P-C4' energy: -48.748
flat angles P-C4'-P energy: -37.519
tors. eta vs tors. theta energy: -18.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -307.880724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.880724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.880724 (E_RNA)
where:
Base-Base interactions energy: -107.430
where: short stacking energy: -100.973
Base-Backbone interact. energy: -1.004
local terms energy: -199.446376
where:
bonds (distance) C4'-P energy: -55.466
bonds (distance) P-C4' energy: -60.556
flat angles C4'-P-C4' energy: -46.646
flat angles P-C4'-P energy: -37.877
tors. eta vs tors. theta energy: 1.098
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: 4
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -1004.982874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.982874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.982874 (E_RNA)
where:
Base-Base interactions energy: -680.915
where: short stacking energy: -289.053
Base-Backbone interact. energy: -1.885
local terms energy: -322.182304
where:
bonds (distance) C4'-P energy: -67.295
bonds (distance) P-C4' energy: -66.437
flat angles C4'-P-C4' energy: -71.000
flat angles P-C4'-P energy: -49.906
tors. eta vs tors. theta energy: -67.544
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: 1
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -1033.627172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.627172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.627172 (E_RNA)
where:
Base-Base interactions energy: -679.402
where: short stacking energy: -318.065
Base-Backbone interact. energy: -1.091
local terms energy: -353.134213
where:
bonds (distance) C4'-P energy: -69.588
bonds (distance) P-C4' energy: -70.365
flat angles C4'-P-C4' energy: -75.755
flat angles P-C4'-P energy: -50.194
tors. eta vs tors. theta energy: -87.232
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: 6
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -886.740628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.740628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.740628 (E_RNA)
where:
Base-Base interactions energy: -567.512
where: short stacking energy: -275.914
Base-Backbone interact. energy: -1.045
local terms energy: -318.184443
where:
bonds (distance) C4'-P energy: -55.977
bonds (distance) P-C4' energy: -63.955
flat angles C4'-P-C4' energy: -74.881
flat angles P-C4'-P energy: -50.761
tors. eta vs tors. theta energy: -72.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -824.206897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.206897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.206897 (E_RNA)
where:
Base-Base interactions energy: -536.616
where: short stacking energy: -228.678
Base-Backbone interact. energy: -1.180
local terms energy: -286.410895
where:
bonds (distance) C4'-P energy: -52.819
bonds (distance) P-C4' energy: -64.667
flat angles C4'-P-C4' energy: -64.863
flat angles P-C4'-P energy: -46.894
tors. eta vs tors. theta energy: -57.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -806.993998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.993998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.993998 (E_RNA)
where:
Base-Base interactions energy: -542.018
where: short stacking energy: -252.134
Base-Backbone interact. energy: 0.705
local terms energy: -265.681196
where:
bonds (distance) C4'-P energy: -46.954
bonds (distance) P-C4' energy: -51.264
flat angles C4'-P-C4' energy: -68.495
flat angles P-C4'-P energy: -36.902
tors. eta vs tors. theta energy: -62.067
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: 9
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -806.106284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.106284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.106284 (E_RNA)
where:
Base-Base interactions energy: -527.104
where: short stacking energy: -252.651
Base-Backbone interact. energy: -0.980
local terms energy: -278.023076
where:
bonds (distance) C4'-P energy: -50.595
bonds (distance) P-C4' energy: -63.631
flat angles C4'-P-C4' energy: -68.112
flat angles P-C4'-P energy: -37.233
tors. eta vs tors. theta energy: -58.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -689.331769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.331769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.331769 (E_RNA)
where:
Base-Base interactions energy: -437.488
where: short stacking energy: -211.829
Base-Backbone interact. energy: -0.492
local terms energy: -251.351468
where:
bonds (distance) C4'-P energy: -48.774
bonds (distance) P-C4' energy: -52.472
flat angles C4'-P-C4' energy: -60.783
flat angles P-C4'-P energy: -45.387
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: 8, replica: 8
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -515.220939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.220939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.220939 (E_RNA)
where:
Base-Base interactions energy: -299.453
where: short stacking energy: -154.559
Base-Backbone interact. energy: 2.958
local terms energy: -218.726047
where:
bonds (distance) C4'-P energy: -52.725
bonds (distance) P-C4' energy: -54.445
flat angles C4'-P-C4' energy: -56.230
flat angles P-C4'-P energy: -32.425
tors. eta vs tors. theta energy: -22.900
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: 9, replica: 5
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -486.236668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.236668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.236668 (E_RNA)
where:
Base-Base interactions energy: -284.645
where: short stacking energy: -132.785
Base-Backbone interact. energy: -0.676
local terms energy: -200.915860
where:
bonds (distance) C4'-P energy: -45.769
bonds (distance) P-C4' energy: -55.170
flat angles C4'-P-C4' energy: -58.403
flat angles P-C4'-P energy: -29.392
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: 10, replica: 7
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -339.663597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.663597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.663597 (E_RNA)
where:
Base-Base interactions energy: -157.316
where: short stacking energy: -100.834
Base-Backbone interact. energy: -0.841
local terms energy: -181.507318
where:
bonds (distance) C4'-P energy: -48.237
bonds (distance) P-C4' energy: -58.362
flat angles C4'-P-C4' energy: -50.589
flat angles P-C4'-P energy: -23.984
tors. eta vs tors. theta energy: -0.335
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: 1
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -1071.514529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.514529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.514529 (E_RNA)
where:
Base-Base interactions energy: -717.767
where: short stacking energy: -330.310
Base-Backbone interact. energy: -1.028
local terms energy: -352.719671
where:
bonds (distance) C4'-P energy: -65.944
bonds (distance) P-C4' energy: -71.113
flat angles C4'-P-C4' energy: -68.026
flat angles P-C4'-P energy: -45.707
tors. eta vs tors. theta energy: -101.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -965.247430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.247430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.247430 (E_RNA)
where:
Base-Base interactions energy: -642.746
where: short stacking energy: -281.039
Base-Backbone interact. energy: -0.663
local terms energy: -321.838022
where:
bonds (distance) C4'-P energy: -61.115
bonds (distance) P-C4' energy: -60.587
flat angles C4'-P-C4' energy: -73.635
flat angles P-C4'-P energy: -48.481
tors. eta vs tors. theta energy: -78.020
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: 3, replica: 6
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -889.054161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.054161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.054161 (E_RNA)
where:
Base-Base interactions energy: -575.907
where: short stacking energy: -275.117
Base-Backbone interact. energy: -0.245
local terms energy: -312.901471
where:
bonds (distance) C4'-P energy: -62.288
bonds (distance) P-C4' energy: -65.796
flat angles C4'-P-C4' energy: -69.674
flat angles P-C4'-P energy: -40.465
tors. eta vs tors. theta energy: -74.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -835.914714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.914714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.914714 (E_RNA)
where:
Base-Base interactions energy: -539.563
where: short stacking energy: -257.970
Base-Backbone interact. energy: 0.742
local terms energy: -297.093847
where:
bonds (distance) C4'-P energy: -63.229
bonds (distance) P-C4' energy: -62.908
flat angles C4'-P-C4' energy: -68.581
flat angles P-C4'-P energy: -39.109
tors. eta vs tors. theta energy: -63.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -826.757682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.757682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.757682 (E_RNA)
where:
Base-Base interactions energy: -553.415
where: short stacking energy: -249.867
Base-Backbone interact. energy: 3.005
local terms energy: -276.347145
where:
bonds (distance) C4'-P energy: -39.949
bonds (distance) P-C4' energy: -56.602
flat angles C4'-P-C4' energy: -72.944
flat angles P-C4'-P energy: -44.215
tors. eta vs tors. theta energy: -62.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -771.786984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.786984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.786984 (E_RNA)
where:
Base-Base interactions energy: -477.789
where: short stacking energy: -210.688
Base-Backbone interact. energy: -2.608
local terms energy: -291.389457
where:
bonds (distance) C4'-P energy: -59.205
bonds (distance) P-C4' energy: -67.888
flat angles C4'-P-C4' energy: -62.744
flat angles P-C4'-P energy: -52.790
tors. eta vs tors. theta energy: -48.762
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: 34
Temperature: 1.200000
Total energy: -695.134325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.134325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.134325 (E_RNA)
where:
Base-Base interactions energy: -452.451
where: short stacking energy: -207.122
Base-Backbone interact. energy: -0.272
local terms energy: -242.412012
where:
bonds (distance) C4'-P energy: -45.911
bonds (distance) P-C4' energy: -63.669
flat angles C4'-P-C4' energy: -65.188
flat angles P-C4'-P energy: -24.377
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: 8, replica: 8
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -498.241020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.241020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.241020 (E_RNA)
where:
Base-Base interactions energy: -257.279
where: short stacking energy: -151.549
Base-Backbone interact. energy: -1.235
local terms energy: -239.727581
where:
bonds (distance) C4'-P energy: -51.077
bonds (distance) P-C4' energy: -57.825
flat angles C4'-P-C4' energy: -62.382
flat angles P-C4'-P energy: -43.522
tors. eta vs tors. theta energy: -24.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -457.767782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.767782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.767782 (E_RNA)
where:
Base-Base interactions energy: -253.626
where: short stacking energy: -132.680
Base-Backbone interact. energy: -1.402
local terms energy: -202.739791
where:
bonds (distance) C4'-P energy: -67.340
bonds (distance) P-C4' energy: -61.253
flat angles C4'-P-C4' energy: -48.636
flat angles P-C4'-P energy: -19.881
tors. eta vs tors. theta energy: -5.630
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: 7
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -362.612472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.612472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.612472 (E_RNA)
where:
Base-Base interactions energy: -177.240
where: short stacking energy: -101.752
Base-Backbone interact. energy: 0.266
local terms energy: -185.638324
where:
bonds (distance) C4'-P energy: -50.764
bonds (distance) P-C4' energy: -56.784
flat angles C4'-P-C4' energy: -54.107
flat angles P-C4'-P energy: -27.772
tors. eta vs tors. theta energy: 3.788
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: 1
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -1076.305509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.305509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.305509 (E_RNA)
where:
Base-Base interactions energy: -735.346
where: short stacking energy: -356.193
Base-Backbone interact. energy: -1.657
local terms energy: -339.303238
where:
bonds (distance) C4'-P energy: -68.180
bonds (distance) P-C4' energy: -58.858
flat angles C4'-P-C4' energy: -68.113
flat angles P-C4'-P energy: -45.405
tors. eta vs tors. theta energy: -98.747
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: 4
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -957.613797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.613797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.613797 (E_RNA)
where:
Base-Base interactions energy: -652.337
where: short stacking energy: -283.717
Base-Backbone interact. energy: -0.702
local terms energy: -304.575337
where:
bonds (distance) C4'-P energy: -66.589
bonds (distance) P-C4' energy: -64.385
flat angles C4'-P-C4' energy: -64.215
flat angles P-C4'-P energy: -41.130
tors. eta vs tors. theta energy: -68.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -863.184105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.184105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.184105 (E_RNA)
where:
Base-Base interactions energy: -543.309
where: short stacking energy: -274.028
Base-Backbone interact. energy: -1.563
local terms energy: -318.312673
where:
bonds (distance) C4'-P energy: -62.136
bonds (distance) P-C4' energy: -74.093
flat angles C4'-P-C4' energy: -71.022
flat angles P-C4'-P energy: -43.314
tors. eta vs tors. theta energy: -67.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -893.619809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.619809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.619809 (E_RNA)
where:
Base-Base interactions energy: -595.076
where: short stacking energy: -255.147
Base-Backbone interact. energy: -1.516
local terms energy: -297.027933
where:
bonds (distance) C4'-P energy: -65.043
bonds (distance) P-C4' energy: -63.157
flat angles C4'-P-C4' energy: -68.535
flat angles P-C4'-P energy: -33.562
tors. eta vs tors. theta energy: -66.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -786.410383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.410383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.410383 (E_RNA)
where:
Base-Base interactions energy: -514.940
where: short stacking energy: -223.133
Base-Backbone interact. energy: -1.188
local terms energy: -270.283057
where:
bonds (distance) C4'-P energy: -55.232
bonds (distance) P-C4' energy: -69.348
flat angles C4'-P-C4' energy: -63.965
flat angles P-C4'-P energy: -36.900
tors. eta vs tors. theta energy: -44.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -826.240854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.240854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.240854 (E_RNA)
where:
Base-Base interactions energy: -547.148
where: short stacking energy: -241.884
Base-Backbone interact. energy: 3.206
local terms energy: -282.298759
where:
bonds (distance) C4'-P energy: -47.499
bonds (distance) P-C4' energy: -66.991
flat angles C4'-P-C4' energy: -69.644
flat angles P-C4'-P energy: -30.134
tors. eta vs tors. theta energy: -68.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -676.498579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.498579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.498579 (E_RNA)
where:
Base-Base interactions energy: -430.215
where: short stacking energy: -183.138
Base-Backbone interact. energy: -0.643
local terms energy: -245.641351
where:
bonds (distance) C4'-P energy: -46.238
bonds (distance) P-C4' energy: -60.962
flat angles C4'-P-C4' energy: -55.541
flat angles P-C4'-P energy: -51.463
tors. eta vs tors. theta energy: -31.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -534.072666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.072666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.072666 (E_RNA)
where:
Base-Base interactions energy: -316.681
where: short stacking energy: -178.863
Base-Backbone interact. energy: -1.802
local terms energy: -215.589794
where:
bonds (distance) C4'-P energy: -51.211
bonds (distance) P-C4' energy: -52.762
flat angles C4'-P-C4' energy: -41.477
flat angles P-C4'-P energy: -41.393
tors. eta vs tors. theta energy: -28.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -481.356548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.356548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.356548 (E_RNA)
where:
Base-Base interactions energy: -270.921
where: short stacking energy: -161.227
Base-Backbone interact. energy: 0.080
local terms energy: -210.515348
where:
bonds (distance) C4'-P energy: -50.607
bonds (distance) P-C4' energy: -57.110
flat angles C4'-P-C4' energy: -44.392
flat angles P-C4'-P energy: -26.772
tors. eta vs tors. theta energy: -31.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -349.674202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.674202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.674202 (E_RNA)
where:
Base-Base interactions energy: -169.188
where: short stacking energy: -110.087
Base-Backbone interact. energy: 1.439
local terms energy: -181.924955
where:
bonds (distance) C4'-P energy: -40.948
bonds (distance) P-C4' energy: -57.141
flat angles C4'-P-C4' energy: -58.440
flat angles P-C4'-P energy: -15.260
tors. eta vs tors. theta energy: -10.135
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: 36
Temperature: 0.900000
Total energy: -1069.231329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.231329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.231329 (E_RNA)
where:
Base-Base interactions energy: -724.061
where: short stacking energy: -341.300
Base-Backbone interact. energy: -0.826
local terms energy: -344.343777
where:
bonds (distance) C4'-P energy: -64.449
bonds (distance) P-C4' energy: -66.310
flat angles C4'-P-C4' energy: -77.327
flat angles P-C4'-P energy: -37.783
tors. eta vs tors. theta energy: -98.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -968.850310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.850310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.850310 (E_RNA)
where:
Base-Base interactions energy: -663.814
where: short stacking energy: -299.755
Base-Backbone interact. energy: 0.196
local terms energy: -305.232468
where:
bonds (distance) C4'-P energy: -53.818
bonds (distance) P-C4' energy: -62.352
flat angles C4'-P-C4' energy: -72.623
flat angles P-C4'-P energy: -38.628
tors. eta vs tors. theta energy: -77.812
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: 10
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -881.702397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.702397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.702397 (E_RNA)
where:
Base-Base interactions energy: -569.668
where: short stacking energy: -264.041
Base-Backbone interact. energy: -1.692
local terms energy: -310.342060
where:
bonds (distance) C4'-P energy: -59.424
bonds (distance) P-C4' energy: -63.213
flat angles C4'-P-C4' energy: -69.656
flat angles P-C4'-P energy: -50.940
tors. eta vs tors. theta energy: -67.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -840.227402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.227402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.227402 (E_RNA)
where:
Base-Base interactions energy: -535.561
where: short stacking energy: -261.816
Base-Backbone interact. energy: -1.138
local terms energy: -303.527823
where:
bonds (distance) C4'-P energy: -73.992
bonds (distance) P-C4' energy: -62.805
flat angles C4'-P-C4' energy: -64.140
flat angles P-C4'-P energy: -36.514
tors. eta vs tors. theta energy: -66.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -829.539637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.539637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.539637 (E_RNA)
where:
Base-Base interactions energy: -571.432
where: short stacking energy: -240.692
Base-Backbone interact. energy: -2.780
local terms energy: -255.327349
where:
bonds (distance) C4'-P energy: -55.114
bonds (distance) P-C4' energy: -61.296
flat angles C4'-P-C4' energy: -61.678
flat angles P-C4'-P energy: -30.394
tors. eta vs tors. theta energy: -46.846
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: 9
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -811.459420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.459420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.459420 (E_RNA)
where:
Base-Base interactions energy: -544.235
where: short stacking energy: -240.399
Base-Backbone interact. energy: -1.057
local terms energy: -266.167739
where:
bonds (distance) C4'-P energy: -58.613
bonds (distance) P-C4' energy: -58.877
flat angles C4'-P-C4' energy: -56.895
flat angles P-C4'-P energy: -34.592
tors. eta vs tors. theta energy: -57.190
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: 7, replica: 3
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -650.364366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.364366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.364366 (E_RNA)
where:
Base-Base interactions energy: -384.625
where: short stacking energy: -207.021
Base-Backbone interact. energy: -0.673
local terms energy: -265.066307
where:
bonds (distance) C4'-P energy: -51.881
bonds (distance) P-C4' energy: -56.504
flat angles C4'-P-C4' energy: -63.523
flat angles P-C4'-P energy: -43.894
tors. eta vs tors. theta energy: -49.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -467.924780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.924780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.924780 (E_RNA)
where:
Base-Base interactions energy: -248.588
where: short stacking energy: -138.938
Base-Backbone interact. energy: -1.140
local terms energy: -218.197174
where:
bonds (distance) C4'-P energy: -50.076
bonds (distance) P-C4' energy: -54.456
flat angles C4'-P-C4' energy: -55.345
flat angles P-C4'-P energy: -33.352
tors. eta vs tors. theta energy: -24.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -488.327184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.327184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.327184 (E_RNA)
where:
Base-Base interactions energy: -287.672
where: short stacking energy: -170.784
Base-Backbone interact. energy: -1.259
local terms energy: -199.396126
where:
bonds (distance) C4'-P energy: -47.997
bonds (distance) P-C4' energy: -48.379
flat angles C4'-P-C4' energy: -57.826
flat angles P-C4'-P energy: -27.810
tors. eta vs tors. theta energy: -17.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -287.130242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.130242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.130242 (E_RNA)
where:
Base-Base interactions energy: -113.716
where: short stacking energy: -84.090
Base-Backbone interact. energy: 1.115
local terms energy: -174.529177
where:
bonds (distance) C4'-P energy: -49.539
bonds (distance) P-C4' energy: -52.404
flat angles C4'-P-C4' energy: -39.598
flat angles P-C4'-P energy: -35.348
tors. eta vs tors. theta energy: 2.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -1064.483128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.483128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.483128 (E_RNA)
where:
Base-Base interactions energy: -714.595
where: short stacking energy: -332.772
Base-Backbone interact. energy: -1.796
local terms energy: -348.092158
where:
bonds (distance) C4'-P energy: -70.015
bonds (distance) P-C4' energy: -73.578
flat angles C4'-P-C4' energy: -61.683
flat angles P-C4'-P energy: -49.161
tors. eta vs tors. theta energy: -93.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -989.742247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.742247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.742247 (E_RNA)
where:
Base-Base interactions energy: -686.655
where: short stacking energy: -301.753
Base-Backbone interact. energy: 0.670
local terms energy: -303.757851
where:
bonds (distance) C4'-P energy: -65.150
bonds (distance) P-C4' energy: -55.791
flat angles C4'-P-C4' energy: -72.965
flat angles P-C4'-P energy: -36.686
tors. eta vs tors. theta energy: -73.165
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: 10
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -887.742101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.742101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.742101 (E_RNA)
where:
Base-Base interactions energy: -611.402
where: short stacking energy: -271.116
Base-Backbone interact. energy: -0.236
local terms energy: -276.103871
where:
bonds (distance) C4'-P energy: -60.864
bonds (distance) P-C4' energy: -56.792
flat angles C4'-P-C4' energy: -55.518
flat angles P-C4'-P energy: -43.431
tors. eta vs tors. theta energy: -59.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -868.110490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.110490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.110490 (E_RNA)
where:
Base-Base interactions energy: -574.137
where: short stacking energy: -243.950
Base-Backbone interact. energy: -2.915
local terms energy: -291.058250
where:
bonds (distance) C4'-P energy: -58.267
bonds (distance) P-C4' energy: -68.435
flat angles C4'-P-C4' energy: -73.793
flat angles P-C4'-P energy: -39.009
tors. eta vs tors. theta energy: -51.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -790.359632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.359632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.359632 (E_RNA)
where:
Base-Base interactions energy: -505.005
where: short stacking energy: -248.262
Base-Backbone interact. energy: -0.906
local terms energy: -284.448680
where:
bonds (distance) C4'-P energy: -52.232
bonds (distance) P-C4' energy: -63.232
flat angles C4'-P-C4' energy: -66.992
flat angles P-C4'-P energy: -40.644
tors. eta vs tors. theta energy: -61.348
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: 6, replica: 9
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -809.350224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.350224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.350224 (E_RNA)
where:
Base-Base interactions energy: -533.603
where: short stacking energy: -228.582
Base-Backbone interact. energy: -1.361
local terms energy: -274.386203
where:
bonds (distance) C4'-P energy: -58.093
bonds (distance) P-C4' energy: -65.391
flat angles C4'-P-C4' energy: -57.662
flat angles P-C4'-P energy: -36.328
tors. eta vs tors. theta energy: -56.912
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: 7, replica: 3
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -628.288529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.288529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.288529 (E_RNA)
where:
Base-Base interactions energy: -405.339
where: short stacking energy: -200.409
Base-Backbone interact. energy: 0.132
local terms energy: -223.081838
where:
bonds (distance) C4'-P energy: -37.895
bonds (distance) P-C4' energy: -55.980
flat angles C4'-P-C4' energy: -60.567
flat angles P-C4'-P energy: -34.697
tors. eta vs tors. theta energy: -33.943
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: 37
Temperature: 1.250000
Total energy: -501.419426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.419426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.419426 (E_RNA)
where:
Base-Base interactions energy: -282.073
where: short stacking energy: -155.220
Base-Backbone interact. energy: -0.771
local terms energy: -218.574789
where:
bonds (distance) C4'-P energy: -52.173
bonds (distance) P-C4' energy: -50.581
flat angles C4'-P-C4' energy: -50.494
flat angles P-C4'-P energy: -41.555
tors. eta vs tors. theta energy: -23.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -398.989208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.989208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.989208 (E_RNA)
where:
Base-Base interactions energy: -183.789
where: short stacking energy: -108.280
Base-Backbone interact. energy: -0.938
local terms energy: -214.262235
where:
bonds (distance) C4'-P energy: -55.983
bonds (distance) P-C4' energy: -72.698
flat angles C4'-P-C4' energy: -50.116
flat angles P-C4'-P energy: -30.390
tors. eta vs tors. theta energy: -5.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -263.497806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.497806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.497806 (E_RNA)
where:
Base-Base interactions energy: -91.068
where: short stacking energy: -81.497
Base-Backbone interact. energy: 1.445
local terms energy: -173.874618
where:
bonds (distance) C4'-P energy: -56.754
bonds (distance) P-C4' energy: -57.261
flat angles C4'-P-C4' energy: -44.721
flat angles P-C4'-P energy: -25.268
tors. eta vs tors. theta energy: 10.129
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: 1
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -1053.149612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.149612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.149612 (E_RNA)
where:
Base-Base interactions energy: -704.241
where: short stacking energy: -350.305
Base-Backbone interact. energy: -1.979
local terms energy: -346.929239
where:
bonds (distance) C4'-P energy: -66.292
bonds (distance) P-C4' energy: -68.741
flat angles C4'-P-C4' energy: -67.426
flat angles P-C4'-P energy: -53.917
tors. eta vs tors. theta energy: -90.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -1025.705933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.705933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.705933 (E_RNA)
where:
Base-Base interactions energy: -676.147
where: short stacking energy: -312.664
Base-Backbone interact. energy: -2.383
local terms energy: -347.175532
where:
bonds (distance) C4'-P energy: -65.772
bonds (distance) P-C4' energy: -73.104
flat angles C4'-P-C4' energy: -68.380
flat angles P-C4'-P energy: -51.832
tors. eta vs tors. theta energy: -88.088
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: 3, replica: 10
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -901.277879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.277879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.277879 (E_RNA)
where:
Base-Base interactions energy: -585.683
where: short stacking energy: -276.217
Base-Backbone interact. energy: 0.582
local terms energy: -316.177253
where:
bonds (distance) C4'-P energy: -68.636
bonds (distance) P-C4' energy: -66.734
flat angles C4'-P-C4' energy: -65.387
flat angles P-C4'-P energy: -38.281
tors. eta vs tors. theta energy: -77.140
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: 4, replica: 2
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -853.241956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.241956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.241956 (E_RNA)
where:
Base-Base interactions energy: -573.946
where: short stacking energy: -230.218
Base-Backbone interact. energy: -1.504
local terms energy: -277.791610
where:
bonds (distance) C4'-P energy: -64.774
bonds (distance) P-C4' energy: -49.292
flat angles C4'-P-C4' energy: -63.618
flat angles P-C4'-P energy: -49.034
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: 5, replica: 6
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -810.447680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.447680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.447680 (E_RNA)
where:
Base-Base interactions energy: -529.527
where: short stacking energy: -229.614
Base-Backbone interact. energy: -1.862
local terms energy: -279.058573
where:
bonds (distance) C4'-P energy: -63.706
bonds (distance) P-C4' energy: -57.349
flat angles C4'-P-C4' energy: -57.376
flat angles P-C4'-P energy: -41.205
tors. eta vs tors. theta energy: -59.422
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: 9
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -782.909141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.909141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.909141 (E_RNA)
where:
Base-Base interactions energy: -517.135
where: short stacking energy: -239.265
Base-Backbone interact. energy: -0.244
local terms energy: -265.530674
where:
bonds (distance) C4'-P energy: -52.008
bonds (distance) P-C4' energy: -52.827
flat angles C4'-P-C4' energy: -65.814
flat angles P-C4'-P energy: -35.809
tors. eta vs tors. theta energy: -59.073
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: 3
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -685.276292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.276292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.276292 (E_RNA)
where:
Base-Base interactions energy: -407.371
where: short stacking energy: -199.954
Base-Backbone interact. energy: -1.903
local terms energy: -276.001894
where:
bonds (distance) C4'-P energy: -59.899
bonds (distance) P-C4' energy: -63.892
flat angles C4'-P-C4' energy: -53.771
flat angles P-C4'-P energy: -50.667
tors. eta vs tors. theta energy: -47.772
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: 5
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -489.840084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.840084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.840084 (E_RNA)
where:
Base-Base interactions energy: -254.148
where: short stacking energy: -146.989
Base-Backbone interact. energy: -3.078
local terms energy: -232.613117
where:
bonds (distance) C4'-P energy: -63.874
bonds (distance) P-C4' energy: -58.411
flat angles C4'-P-C4' energy: -62.384
flat angles P-C4'-P energy: -28.863
tors. eta vs tors. theta energy: -19.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -409.052969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.052969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.052969 (E_RNA)
where:
Base-Base interactions energy: -199.812
where: short stacking energy: -120.036
Base-Backbone interact. energy: -1.487
local terms energy: -207.753631
where:
bonds (distance) C4'-P energy: -52.604
bonds (distance) P-C4' energy: -58.406
flat angles C4'-P-C4' energy: -55.523
flat angles P-C4'-P energy: -25.743
tors. eta vs tors. theta energy: -15.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -274.415615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.415615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.415615 (E_RNA)
where:
Base-Base interactions energy: -101.836
where: short stacking energy: -74.417
Base-Backbone interact. energy: 0.900
local terms energy: -173.480312
where:
bonds (distance) C4'-P energy: -45.622
bonds (distance) P-C4' energy: -57.168
flat angles C4'-P-C4' energy: -55.314
flat angles P-C4'-P energy: -30.940
tors. eta vs tors. theta energy: 15.564
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: 1
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -1055.465729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.465729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.465729 (E_RNA)
where:
Base-Base interactions energy: -715.213
where: short stacking energy: -342.904
Base-Backbone interact. energy: -0.211
local terms energy: -340.041731
where:
bonds (distance) C4'-P energy: -64.508
bonds (distance) P-C4' energy: -70.338
flat angles C4'-P-C4' energy: -66.227
flat angles P-C4'-P energy: -49.162
tors. eta vs tors. theta energy: -89.807
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: 2, replica: 4
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -998.525395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.525395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.525395 (E_RNA)
where:
Base-Base interactions energy: -678.197
where: short stacking energy: -301.624
Base-Backbone interact. energy: 3.041
local terms energy: -323.369305
where:
bonds (distance) C4'-P energy: -62.829
bonds (distance) P-C4' energy: -64.949
flat angles C4'-P-C4' energy: -71.621
flat angles P-C4'-P energy: -45.909
tors. eta vs tors. theta energy: -78.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -883.490082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.490082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.490082 (E_RNA)
where:
Base-Base interactions energy: -579.697
where: short stacking energy: -261.522
Base-Backbone interact. energy: 1.440
local terms energy: -305.232840
where:
bonds (distance) C4'-P energy: -67.462
bonds (distance) P-C4' energy: -61.915
flat angles C4'-P-C4' energy: -67.933
flat angles P-C4'-P energy: -43.231
tors. eta vs tors. theta energy: -64.692
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: 6
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -833.256101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.256101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.256101 (E_RNA)
where:
Base-Base interactions energy: -527.762
where: short stacking energy: -239.678
Base-Backbone interact. energy: -0.570
local terms energy: -304.923553
where:
bonds (distance) C4'-P energy: -65.849
bonds (distance) P-C4' energy: -62.150
flat angles C4'-P-C4' energy: -65.920
flat angles P-C4'-P energy: -47.598
tors. eta vs tors. theta energy: -63.406
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: 2
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -812.758043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.758043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.758043 (E_RNA)
where:
Base-Base interactions energy: -540.446
where: short stacking energy: -234.630
Base-Backbone interact. energy: 0.660
local terms energy: -272.972148
where:
bonds (distance) C4'-P energy: -55.168
bonds (distance) P-C4' energy: -66.501
flat angles C4'-P-C4' energy: -64.712
flat angles P-C4'-P energy: -39.220
tors. eta vs tors. theta energy: -47.372
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: 9
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -808.081233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.081233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.081233 (E_RNA)
where:
Base-Base interactions energy: -509.284
where: short stacking energy: -221.381
Base-Backbone interact. energy: -0.668
local terms energy: -298.129476
where:
bonds (distance) C4'-P energy: -62.626
bonds (distance) P-C4' energy: -54.127
flat angles C4'-P-C4' energy: -70.373
flat angles P-C4'-P energy: -49.488
tors. eta vs tors. theta energy: -61.516
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: 3
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -641.513799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.513799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.513799 (E_RNA)
where:
Base-Base interactions energy: -433.247
where: short stacking energy: -199.098
Base-Backbone interact. energy: 0.063
local terms energy: -208.330044
where:
bonds (distance) C4'-P energy: -44.237
bonds (distance) P-C4' energy: -51.760
flat angles C4'-P-C4' energy: -48.169
flat angles P-C4'-P energy: -28.417
tors. eta vs tors. theta energy: -35.747
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: 8, replica: 8
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -453.590966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.590966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.590966 (E_RNA)
where:
Base-Base interactions energy: -216.381
where: short stacking energy: -140.818
Base-Backbone interact. energy: 0.575
local terms energy: -237.784958
where:
bonds (distance) C4'-P energy: -60.667
bonds (distance) P-C4' energy: -62.371
flat angles C4'-P-C4' energy: -56.018
flat angles P-C4'-P energy: -33.742
tors. eta vs tors. theta energy: -24.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -457.368899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.368899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.368899 (E_RNA)
where:
Base-Base interactions energy: -247.870
where: short stacking energy: -112.649
Base-Backbone interact. energy: 0.153
local terms energy: -209.651842
where:
bonds (distance) C4'-P energy: -63.541
bonds (distance) P-C4' energy: -56.018
flat angles C4'-P-C4' energy: -53.483
flat angles P-C4'-P energy: -32.845
tors. eta vs tors. theta energy: -3.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -302.865060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.865060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.865060 (E_RNA)
where:
Base-Base interactions energy: -124.145
where: short stacking energy: -115.799
Base-Backbone interact. energy: -0.679
local terms energy: -178.041263
where:
bonds (distance) C4'-P energy: -50.318
bonds (distance) P-C4' energy: -62.584
flat angles C4'-P-C4' energy: -34.328
flat angles P-C4'-P energy: -23.787
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: 1, replica: 4
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -1043.900738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.900738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.900738 (E_RNA)
where:
Base-Base interactions energy: -710.222
where: short stacking energy: -300.312
Base-Backbone interact. energy: -0.669
local terms energy: -333.009326
where:
bonds (distance) C4'-P energy: -66.689
bonds (distance) P-C4' energy: -69.471
flat angles C4'-P-C4' energy: -70.671
flat angles P-C4'-P energy: -46.903
tors. eta vs tors. theta energy: -79.275
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: 1
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -1023.915787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.915787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.915787 (E_RNA)
where:
Base-Base interactions energy: -674.717
where: short stacking energy: -315.538
Base-Backbone interact. energy: -1.156
local terms energy: -348.042651
where:
bonds (distance) C4'-P energy: -62.230
bonds (distance) P-C4' energy: -69.362
flat angles C4'-P-C4' energy: -77.217
flat angles P-C4'-P energy: -48.060
tors. eta vs tors. theta energy: -91.173
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: 40
Temperature: 1.000000
Total energy: -890.226617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.226617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.226617 (E_RNA)
where:
Base-Base interactions energy: -598.327
where: short stacking energy: -266.992
Base-Backbone interact. energy: -1.865
local terms energy: -290.034784
where:
bonds (distance) C4'-P energy: -47.898
bonds (distance) P-C4' energy: -64.894
flat angles C4'-P-C4' energy: -64.757
flat angles P-C4'-P energy: -43.590
tors. eta vs tors. theta energy: -68.896
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: 6
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -786.323113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.323113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.323113 (E_RNA)
where:
Base-Base interactions energy: -505.651
where: short stacking energy: -246.470
Base-Backbone interact. energy: 1.273
local terms energy: -281.945766
where:
bonds (distance) C4'-P energy: -57.673
bonds (distance) P-C4' energy: -61.639
flat angles C4'-P-C4' energy: -62.808
flat angles P-C4'-P energy: -43.009
tors. eta vs tors. theta energy: -56.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -861.410839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.410839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.410839 (E_RNA)
where:
Base-Base interactions energy: -555.087
where: short stacking energy: -250.863
Base-Backbone interact. energy: -1.573
local terms energy: -304.751399
where:
bonds (distance) C4'-P energy: -66.107
bonds (distance) P-C4' energy: -62.150
flat angles C4'-P-C4' energy: -63.587
flat angles P-C4'-P energy: -44.357
tors. eta vs tors. theta energy: -68.551
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: 2
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -784.478136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.478136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.478136 (E_RNA)
where:
Base-Base interactions energy: -521.249
where: short stacking energy: -218.671
Base-Backbone interact. energy: -1.021
local terms energy: -262.207761
where:
bonds (distance) C4'-P energy: -54.038
bonds (distance) P-C4' energy: -54.295
flat angles C4'-P-C4' energy: -69.307
flat angles P-C4'-P energy: -39.698
tors. eta vs tors. theta energy: -44.870
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: 3
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -697.355369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.355369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.355369 (E_RNA)
where:
Base-Base interactions energy: -438.237
where: short stacking energy: -200.807
Base-Backbone interact. energy: -0.601
local terms energy: -258.517457
where:
bonds (distance) C4'-P energy: -58.481
bonds (distance) P-C4' energy: -51.651
flat angles C4'-P-C4' energy: -65.707
flat angles P-C4'-P energy: -42.596
tors. eta vs tors. theta energy: -40.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -447.461455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.461455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.461455 (E_RNA)
where:
Base-Base interactions energy: -227.569
where: short stacking energy: -137.947
Base-Backbone interact. energy: -0.895
local terms energy: -218.997094
where:
bonds (distance) C4'-P energy: -54.476
bonds (distance) P-C4' energy: -63.459
flat angles C4'-P-C4' energy: -65.325
flat angles P-C4'-P energy: -37.734
tors. eta vs tors. theta energy: 1.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -425.750319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.750319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.750319 (E_RNA)
where:
Base-Base interactions energy: -219.227
where: short stacking energy: -112.699
Base-Backbone interact. energy: 1.677
local terms energy: -208.200285
where:
bonds (distance) C4'-P energy: -51.443
bonds (distance) P-C4' energy: -64.945
flat angles C4'-P-C4' energy: -59.842
flat angles P-C4'-P energy: -25.796
tors. eta vs tors. theta energy: -6.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -307.364808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.364808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.364808 (E_RNA)
where:
Base-Base interactions energy: -104.433
where: short stacking energy: -89.957
Base-Backbone interact. energy: 1.999
local terms energy: -204.930534
where:
bonds (distance) C4'-P energy: -59.626
bonds (distance) P-C4' energy: -64.416
flat angles C4'-P-C4' energy: -49.611
flat angles P-C4'-P energy: -26.183
tors. eta vs tors. theta energy: -5.094
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: 4
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -1055.503720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.503720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.503720 (E_RNA)
where:
Base-Base interactions energy: -718.282
where: short stacking energy: -319.580
Base-Backbone interact. energy: -0.834
local terms energy: -336.387578
where:
bonds (distance) C4'-P energy: -71.557
bonds (distance) P-C4' energy: -68.648
flat angles C4'-P-C4' energy: -74.419
flat angles P-C4'-P energy: -35.158
tors. eta vs tors. theta energy: -86.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -1041.663125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.663125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.663125 (E_RNA)
where:
Base-Base interactions energy: -712.768
where: short stacking energy: -340.630
Base-Backbone interact. energy: 1.679
local terms energy: -330.573487
where:
bonds (distance) C4'-P energy: -56.450
bonds (distance) P-C4' energy: -64.499
flat angles C4'-P-C4' energy: -67.568
flat angles P-C4'-P energy: -50.919
tors. eta vs tors. theta energy: -91.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -866.837450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.837450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.837450 (E_RNA)
where:
Base-Base interactions energy: -569.757
where: short stacking energy: -253.385
Base-Backbone interact. energy: 0.061
local terms energy: -297.141490
where:
bonds (distance) C4'-P energy: -68.362
bonds (distance) P-C4' energy: -67.761
flat angles C4'-P-C4' energy: -61.115
flat angles P-C4'-P energy: -40.825
tors. eta vs tors. theta energy: -59.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -865.726916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.726916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.726916 (E_RNA)
where:
Base-Base interactions energy: -561.383
where: short stacking energy: -280.837
Base-Backbone interact. energy: 0.112
local terms energy: -304.456030
where:
bonds (distance) C4'-P energy: -52.214
bonds (distance) P-C4' energy: -59.928
flat angles C4'-P-C4' energy: -63.073
flat angles P-C4'-P energy: -47.365
tors. eta vs tors. theta energy: -81.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -800.801236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.801236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.801236 (E_RNA)
where:
Base-Base interactions energy: -508.079
where: short stacking energy: -248.509
Base-Backbone interact. energy: -1.706
local terms energy: -291.016495
where:
bonds (distance) C4'-P energy: -48.796
bonds (distance) P-C4' energy: -74.786
flat angles C4'-P-C4' energy: -63.878
flat angles P-C4'-P energy: -43.558
tors. eta vs tors. theta energy: -59.998
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: 2
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -768.264336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.264336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.264336 (E_RNA)
where:
Base-Base interactions energy: -503.729
where: short stacking energy: -218.885
Base-Backbone interact. energy: -1.024
local terms energy: -263.511605
where:
bonds (distance) C4'-P energy: -47.055
bonds (distance) P-C4' energy: -51.487
flat angles C4'-P-C4' energy: -60.625
flat angles P-C4'-P energy: -46.882
tors. eta vs tors. theta energy: -57.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -697.434854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.434854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.434854 (E_RNA)
where:
Base-Base interactions energy: -463.234
where: short stacking energy: -206.526
Base-Backbone interact. energy: -0.858
local terms energy: -233.343001
where:
bonds (distance) C4'-P energy: -41.882
bonds (distance) P-C4' energy: -46.205
flat angles C4'-P-C4' energy: -62.977
flat angles P-C4'-P energy: -31.527
tors. eta vs tors. theta energy: -50.751
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: 8
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -471.592014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.592014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.592014 (E_RNA)
where:
Base-Base interactions energy: -266.877
where: short stacking energy: -126.223
Base-Backbone interact. energy: -1.479
local terms energy: -203.236866
where:
bonds (distance) C4'-P energy: -64.065
bonds (distance) P-C4' energy: -54.356
flat angles C4'-P-C4' energy: -52.968
flat angles P-C4'-P energy: -28.002
tors. eta vs tors. theta energy: -3.844
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: 5
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -412.334770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.334770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.334770 (E_RNA)
where:
Base-Base interactions energy: -224.938
where: short stacking energy: -109.764
Base-Backbone interact. energy: 3.021
local terms energy: -190.417478
where:
bonds (distance) C4'-P energy: -58.455
bonds (distance) P-C4' energy: -47.877
flat angles C4'-P-C4' energy: -47.266
flat angles P-C4'-P energy: -31.074
tors. eta vs tors. theta energy: -5.746
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: 7
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -308.080297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.080297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.080297 (E_RNA)
where:
Base-Base interactions energy: -102.669
where: short stacking energy: -87.690
Base-Backbone interact. energy: -1.723
local terms energy: -203.687621
where:
bonds (distance) C4'-P energy: -47.298
bonds (distance) P-C4' energy: -57.140
flat angles C4'-P-C4' energy: -62.903
flat angles P-C4'-P energy: -38.073
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: 1
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -1044.162727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.162727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.162727 (E_RNA)
where:
Base-Base interactions energy: -693.663
where: short stacking energy: -324.314
Base-Backbone interact. energy: -3.003
local terms energy: -347.496599
where:
bonds (distance) C4'-P energy: -61.107
bonds (distance) P-C4' energy: -65.690
flat angles C4'-P-C4' energy: -83.615
flat angles P-C4'-P energy: -45.232
tors. eta vs tors. theta energy: -91.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -1011.330098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.330098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.330098 (E_RNA)
where:
Base-Base interactions energy: -670.612
where: short stacking energy: -295.733
Base-Backbone interact. energy: 4.710
local terms energy: -345.427910
where:
bonds (distance) C4'-P energy: -68.823
bonds (distance) P-C4' energy: -66.920
flat angles C4'-P-C4' energy: -73.655
flat angles P-C4'-P energy: -45.433
tors. eta vs tors. theta energy: -90.597
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: 3, replica: 10
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -868.871038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.871038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.871038 (E_RNA)
where:
Base-Base interactions energy: -563.491
where: short stacking energy: -241.707
Base-Backbone interact. energy: -1.405
local terms energy: -303.974808
where:
bonds (distance) C4'-P energy: -75.719
bonds (distance) P-C4' energy: -57.462
flat angles C4'-P-C4' energy: -76.096
flat angles P-C4'-P energy: -38.051
tors. eta vs tors. theta energy: -56.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -887.403639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.403639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.403639 (E_RNA)
where:
Base-Base interactions energy: -579.798
where: short stacking energy: -271.635
Base-Backbone interact. energy: -2.370
local terms energy: -305.235998
where:
bonds (distance) C4'-P energy: -71.896
bonds (distance) P-C4' energy: -63.408
flat angles C4'-P-C4' energy: -61.454
flat angles P-C4'-P energy: -44.963
tors. eta vs tors. theta energy: -63.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -799.097261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.097261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.097261 (E_RNA)
where:
Base-Base interactions energy: -530.807
where: short stacking energy: -224.671
Base-Backbone interact. energy: 2.691
local terms energy: -270.980568
where:
bonds (distance) C4'-P energy: -69.076
bonds (distance) P-C4' energy: -54.117
flat angles C4'-P-C4' energy: -60.463
flat angles P-C4'-P energy: -43.614
tors. eta vs tors. theta energy: -43.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -730.205386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.205386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.205386 (E_RNA)
where:
Base-Base interactions energy: -460.303
where: short stacking energy: -213.542
Base-Backbone interact. energy: 0.040
local terms energy: -269.943196
where:
bonds (distance) C4'-P energy: -46.314
bonds (distance) P-C4' energy: -66.406
flat angles C4'-P-C4' energy: -72.831
flat angles P-C4'-P energy: -30.653
tors. eta vs tors. theta energy: -53.739
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: 3
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -714.811859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.811859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.811859 (E_RNA)
where:
Base-Base interactions energy: -466.548
where: short stacking energy: -223.577
Base-Backbone interact. energy: 3.776
local terms energy: -252.039628
where:
bonds (distance) C4'-P energy: -52.600
bonds (distance) P-C4' energy: -61.405
flat angles C4'-P-C4' energy: -63.693
flat angles P-C4'-P energy: -33.584
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: 8, replica: 8
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -522.520814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.520814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.520814 (E_RNA)
where:
Base-Base interactions energy: -339.180
where: short stacking energy: -165.437
Base-Backbone interact. energy: -0.195
local terms energy: -183.146006
where:
bonds (distance) C4'-P energy: -49.204
bonds (distance) P-C4' energy: -52.014
flat angles C4'-P-C4' energy: -49.972
flat angles P-C4'-P energy: -16.429
tors. eta vs tors. theta energy: -15.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -392.204793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.204793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.204793 (E_RNA)
where:
Base-Base interactions energy: -229.312
where: short stacking energy: -119.288
Base-Backbone interact. energy: 5.141
local terms energy: -168.033830
where:
bonds (distance) C4'-P energy: -46.396
bonds (distance) P-C4' energy: -58.550
flat angles C4'-P-C4' energy: -55.812
flat angles P-C4'-P energy: -11.077
tors. eta vs tors. theta energy: 3.802
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: 7
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -298.048898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.048898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.048898 (E_RNA)
where:
Base-Base interactions energy: -130.243
where: short stacking energy: -67.294
Base-Backbone interact. energy: -1.177
local terms energy: -166.629315
where:
bonds (distance) C4'-P energy: -52.167
bonds (distance) P-C4' energy: -54.140
flat angles C4'-P-C4' energy: -41.889
flat angles P-C4'-P energy: -37.839
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: 1, replica: 1
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -1062.815008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.815008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.815008 (E_RNA)
where:
Base-Base interactions energy: -709.992
where: short stacking energy: -345.136
Base-Backbone interact. energy: -1.816
local terms energy: -351.006580
where:
bonds (distance) C4'-P energy: -61.110
bonds (distance) P-C4' energy: -68.387
flat angles C4'-P-C4' energy: -75.374
flat angles P-C4'-P energy: -51.566
tors. eta vs tors. theta energy: -94.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -998.078426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.078426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.078426 (E_RNA)
where:
Base-Base interactions energy: -669.799
where: short stacking energy: -304.436
Base-Backbone interact. energy: 0.415
local terms energy: -328.695033
where:
bonds (distance) C4'-P energy: -54.212
bonds (distance) P-C4' energy: -70.941
flat angles C4'-P-C4' energy: -69.435
flat angles P-C4'-P energy: -51.078
tors. eta vs tors. theta energy: -83.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -896.562633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.562633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.562633 (E_RNA)
where:
Base-Base interactions energy: -583.999
where: short stacking energy: -268.717
Base-Backbone interact. energy: -1.112
local terms energy: -311.451162
where:
bonds (distance) C4'-P energy: -58.331
bonds (distance) P-C4' energy: -67.879
flat angles C4'-P-C4' energy: -69.673
flat angles P-C4'-P energy: -42.442
tors. eta vs tors. theta energy: -73.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -876.762988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.762988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.762988 (E_RNA)
where:
Base-Base interactions energy: -590.907
where: short stacking energy: -268.089
Base-Backbone interact. energy: -1.086
local terms energy: -284.770076
where:
bonds (distance) C4'-P energy: -50.418
bonds (distance) P-C4' energy: -66.495
flat angles C4'-P-C4' energy: -62.504
flat angles P-C4'-P energy: -46.882
tors. eta vs tors. theta energy: -58.471
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: 5, replica: 2
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -804.613185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.613185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.613185 (E_RNA)
where:
Base-Base interactions energy: -529.562
where: short stacking energy: -239.729
Base-Backbone interact. energy: -3.598
local terms energy: -271.453283
where:
bonds (distance) C4'-P energy: -50.074
bonds (distance) P-C4' energy: -68.683
flat angles C4'-P-C4' energy: -63.756
flat angles P-C4'-P energy: -31.982
tors. eta vs tors. theta energy: -56.958
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: 6, replica: 6
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -687.174224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.174224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.174224 (E_RNA)
where:
Base-Base interactions energy: -448.567
where: short stacking energy: -213.079
Base-Backbone interact. energy: 0.922
local terms energy: -239.529060
where:
bonds (distance) C4'-P energy: -56.797
bonds (distance) P-C4' energy: -58.217
flat angles C4'-P-C4' energy: -44.898
flat angles P-C4'-P energy: -35.513
tors. eta vs tors. theta energy: -44.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -672.724873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.724873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.724873 (E_RNA)
where:
Base-Base interactions energy: -426.477
where: short stacking energy: -199.706
Base-Backbone interact. energy: -0.363
local terms energy: -245.884240
where:
bonds (distance) C4'-P energy: -56.613
bonds (distance) P-C4' energy: -62.121
flat angles C4'-P-C4' energy: -58.693
flat angles P-C4'-P energy: -32.672
tors. eta vs tors. theta energy: -35.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -551.793727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.793727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.793727 (E_RNA)
where:
Base-Base interactions energy: -319.461
where: short stacking energy: -162.919
Base-Backbone interact. energy: 1.139
local terms energy: -233.471802
where:
bonds (distance) C4'-P energy: -58.534
bonds (distance) P-C4' energy: -62.247
flat angles C4'-P-C4' energy: -51.836
flat angles P-C4'-P energy: -30.895
tors. eta vs tors. theta energy: -29.960
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: 5
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -384.869682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.869682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.869682 (E_RNA)
where:
Base-Base interactions energy: -180.930
where: short stacking energy: -103.354
Base-Backbone interact. energy: -1.754
local terms energy: -202.185955
where:
bonds (distance) C4'-P energy: -67.268
bonds (distance) P-C4' energy: -45.694
flat angles C4'-P-C4' energy: -58.054
flat angles P-C4'-P energy: -24.490
tors. eta vs tors. theta energy: -6.680
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: 10, replica: 7
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -289.776087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.776087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.776087 (E_RNA)
where:
Base-Base interactions energy: -101.237
where: short stacking energy: -90.725
Base-Backbone interact. energy: -1.754
local terms energy: -186.784807
where:
bonds (distance) C4'-P energy: -57.971
bonds (distance) P-C4' energy: -58.867
flat angles C4'-P-C4' energy: -47.857
flat angles P-C4'-P energy: -28.624
tors. eta vs tors. theta energy: 6.534
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: 1
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -1041.446991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.446991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.446991 (E_RNA)
where:
Base-Base interactions energy: -684.832
where: short stacking energy: -312.809
Base-Backbone interact. energy: -1.370
local terms energy: -355.245433
where:
bonds (distance) C4'-P energy: -66.638
bonds (distance) P-C4' energy: -66.032
flat angles C4'-P-C4' energy: -77.568
flat angles P-C4'-P energy: -53.878
tors. eta vs tors. theta energy: -91.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -986.754364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.754364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.754364 (E_RNA)
where:
Base-Base interactions energy: -663.947
where: short stacking energy: -299.108
Base-Backbone interact. energy: -2.685
local terms energy: -320.122224
where:
bonds (distance) C4'-P energy: -63.207
bonds (distance) P-C4' energy: -70.054
flat angles C4'-P-C4' energy: -70.280
flat angles P-C4'-P energy: -38.693
tors. eta vs tors. theta energy: -77.889
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: 9
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -929.713647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.713647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.713647 (E_RNA)
where:
Base-Base interactions energy: -602.106
where: short stacking energy: -270.469
Base-Backbone interact. energy: 0.689
local terms energy: -328.296867
where:
bonds (distance) C4'-P energy: -58.906
bonds (distance) P-C4' energy: -70.502
flat angles C4'-P-C4' energy: -70.637
flat angles P-C4'-P energy: -52.440
tors. eta vs tors. theta energy: -75.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -834.975358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.975358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.975358 (E_RNA)
where:
Base-Base interactions energy: -537.733
where: short stacking energy: -244.515
Base-Backbone interact. energy: -1.169
local terms energy: -296.073295
where:
bonds (distance) C4'-P energy: -62.426
bonds (distance) P-C4' energy: -60.571
flat angles C4'-P-C4' energy: -71.516
flat angles P-C4'-P energy: -40.887
tors. eta vs tors. theta energy: -60.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -792.037851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.037851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.037851 (E_RNA)
where:
Base-Base interactions energy: -509.650
where: short stacking energy: -240.527
Base-Backbone interact. energy: -0.222
local terms energy: -282.165732
where:
bonds (distance) C4'-P energy: -62.382
bonds (distance) P-C4' energy: -65.700
flat angles C4'-P-C4' energy: -64.919
flat angles P-C4'-P energy: -35.059
tors. eta vs tors. theta energy: -54.105
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: 6
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -725.202908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.202908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.202908 (E_RNA)
where:
Base-Base interactions energy: -439.366
where: short stacking energy: -208.791
Base-Backbone interact. energy: -2.814
local terms energy: -283.022625
where:
bonds (distance) C4'-P energy: -57.509
bonds (distance) P-C4' energy: -61.119
flat angles C4'-P-C4' energy: -66.711
flat angles P-C4'-P energy: -49.486
tors. eta vs tors. theta energy: -48.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -631.034560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.034560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.034560 (E_RNA)
where:
Base-Base interactions energy: -388.833
where: short stacking energy: -177.824
Base-Backbone interact. energy: -1.193
local terms energy: -241.008511
where:
bonds (distance) C4'-P energy: -64.245
bonds (distance) P-C4' energy: -56.690
flat angles C4'-P-C4' energy: -50.398
flat angles P-C4'-P energy: -42.327
tors. eta vs tors. theta energy: -27.348
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: 8
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -564.667839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.667839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.667839 (E_RNA)
where:
Base-Base interactions energy: -348.527
where: short stacking energy: -187.494
Base-Backbone interact. energy: -1.173
local terms energy: -214.967535
where:
bonds (distance) C4'-P energy: -48.522
bonds (distance) P-C4' energy: -59.686
flat angles C4'-P-C4' energy: -49.683
flat angles P-C4'-P energy: -29.083
tors. eta vs tors. theta energy: -27.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -391.288359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.288359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.288359 (E_RNA)
where:
Base-Base interactions energy: -191.221
where: short stacking energy: -107.816
Base-Backbone interact. energy: -2.152
local terms energy: -197.915038
where:
bonds (distance) C4'-P energy: -55.187
bonds (distance) P-C4' energy: -56.565
flat angles C4'-P-C4' energy: -51.730
flat angles P-C4'-P energy: -32.230
tors. eta vs tors. theta energy: -2.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -295.771860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.771860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.771860 (E_RNA)
where:
Base-Base interactions energy: -112.955
where: short stacking energy: -77.819
Base-Backbone interact. energy: 0.396
local terms energy: -183.213097
where:
bonds (distance) C4'-P energy: -60.971
bonds (distance) P-C4' energy: -51.676
flat angles C4'-P-C4' energy: -45.411
flat angles P-C4'-P energy: -25.010
tors. eta vs tors. theta energy: -0.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -1038.148446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.148446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.148446 (E_RNA)
where:
Base-Base interactions energy: -703.083
where: short stacking energy: -302.596
Base-Backbone interact. energy: -1.906
local terms energy: -333.159684
where:
bonds (distance) C4'-P energy: -63.235
bonds (distance) P-C4' energy: -65.044
flat angles C4'-P-C4' energy: -75.788
flat angles P-C4'-P energy: -46.852
tors. eta vs tors. theta energy: -82.241
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: 9
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -976.500222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.500222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.500222 (E_RNA)
where:
Base-Base interactions energy: -639.627
where: short stacking energy: -299.754
Base-Backbone interact. energy: -1.955
local terms energy: -334.918524
where:
bonds (distance) C4'-P energy: -66.603
bonds (distance) P-C4' energy: -71.714
flat angles C4'-P-C4' energy: -71.859
flat angles P-C4'-P energy: -40.438
tors. eta vs tors. theta energy: -84.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -957.055191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.055191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.055191 (E_RNA)
where:
Base-Base interactions energy: -640.877
where: short stacking energy: -282.988
Base-Backbone interact. energy: 1.049
local terms energy: -317.227258
where:
bonds (distance) C4'-P energy: -60.200
bonds (distance) P-C4' energy: -65.148
flat angles C4'-P-C4' energy: -66.229
flat angles P-C4'-P energy: -50.736
tors. eta vs tors. theta energy: -74.915
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: 2
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -809.485001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.485001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.485001 (E_RNA)
where:
Base-Base interactions energy: -522.187
where: short stacking energy: -244.605
Base-Backbone interact. energy: 0.408
local terms energy: -287.705745
where:
bonds (distance) C4'-P energy: -64.504
bonds (distance) P-C4' energy: -58.064
flat angles C4'-P-C4' energy: -69.438
flat angles P-C4'-P energy: -41.257
tors. eta vs tors. theta energy: -54.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -804.231618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.231618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.231618 (E_RNA)
where:
Base-Base interactions energy: -502.671
where: short stacking energy: -232.076
Base-Backbone interact. energy: -2.132
local terms energy: -299.428573
where:
bonds (distance) C4'-P energy: -66.742
bonds (distance) P-C4' energy: -59.207
flat angles C4'-P-C4' energy: -68.283
flat angles P-C4'-P energy: -48.826
tors. eta vs tors. theta energy: -56.371
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: 6, replica: 3
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -747.543931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.543931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.543931 (E_RNA)
where:
Base-Base interactions energy: -487.357
where: short stacking energy: -237.351
Base-Backbone interact. energy: -2.043
local terms energy: -258.144617
where:
bonds (distance) C4'-P energy: -49.721
bonds (distance) P-C4' energy: -62.235
flat angles C4'-P-C4' energy: -53.848
flat angles P-C4'-P energy: -36.930
tors. eta vs tors. theta energy: -55.410
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: 6
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -713.224750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.224750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.224750 (E_RNA)
where:
Base-Base interactions energy: -455.673
where: short stacking energy: -188.589
Base-Backbone interact. energy: 0.918
local terms energy: -258.470062
where:
bonds (distance) C4'-P energy: -52.807
bonds (distance) P-C4' energy: -75.288
flat angles C4'-P-C4' energy: -62.941
flat angles P-C4'-P energy: -29.199
tors. eta vs tors. theta energy: -38.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -603.657463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.657463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.657463 (E_RNA)
where:
Base-Base interactions energy: -378.177
where: short stacking energy: -168.355
Base-Backbone interact. energy: 0.961
local terms energy: -226.441683
where:
bonds (distance) C4'-P energy: -52.786
bonds (distance) P-C4' energy: -54.407
flat angles C4'-P-C4' energy: -63.066
flat angles P-C4'-P energy: -29.347
tors. eta vs tors. theta energy: -26.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -396.028693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.028693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.028693 (E_RNA)
where:
Base-Base interactions energy: -206.189
where: short stacking energy: -118.461
Base-Backbone interact. energy: -0.753
local terms energy: -189.086901
where:
bonds (distance) C4'-P energy: -40.924
bonds (distance) P-C4' energy: -48.492
flat angles C4'-P-C4' energy: -54.452
flat angles P-C4'-P energy: -31.468
tors. eta vs tors. theta energy: -13.751
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: 7
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -285.224693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.224693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.224693 (E_RNA)
where:
Base-Base interactions energy: -119.130
where: short stacking energy: -92.253
Base-Backbone interact. energy: 10.470
local terms energy: -176.565338
where:
bonds (distance) C4'-P energy: -58.138
bonds (distance) P-C4' energy: -48.074
flat angles C4'-P-C4' energy: -43.569
flat angles P-C4'-P energy: -36.306
tors. eta vs tors. theta energy: 9.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -1042.257797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.257797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.257797 (E_RNA)
where:
Base-Base interactions energy: -698.512
where: short stacking energy: -332.551
Base-Backbone interact. energy: -1.698
local terms energy: -342.048231
where:
bonds (distance) C4'-P energy: -67.385
bonds (distance) P-C4' energy: -67.564
flat angles C4'-P-C4' energy: -75.907
flat angles P-C4'-P energy: -45.040
tors. eta vs tors. theta energy: -86.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -1018.227909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.227909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.227909 (E_RNA)
where:
Base-Base interactions energy: -681.407
where: short stacking energy: -304.923
Base-Backbone interact. energy: -3.554
local terms energy: -333.267609
where:
bonds (distance) C4'-P energy: -74.090
bonds (distance) P-C4' energy: -69.820
flat angles C4'-P-C4' energy: -64.608
flat angles P-C4'-P energy: -42.705
tors. eta vs tors. theta energy: -82.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -959.400824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.400824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.400824 (E_RNA)
where:
Base-Base interactions energy: -628.657
where: short stacking energy: -293.259
Base-Backbone interact. energy: -2.404
local terms energy: -328.339346
where:
bonds (distance) C4'-P energy: -65.831
bonds (distance) P-C4' energy: -62.781
flat angles C4'-P-C4' energy: -70.378
flat angles P-C4'-P energy: -48.860
tors. eta vs tors. theta energy: -80.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -840.804461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.804461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.804461 (E_RNA)
where:
Base-Base interactions energy: -554.242
where: short stacking energy: -267.155
Base-Backbone interact. energy: -0.439
local terms energy: -286.123130
where:
bonds (distance) C4'-P energy: -52.577
bonds (distance) P-C4' energy: -60.414
flat angles C4'-P-C4' energy: -67.525
flat angles P-C4'-P energy: -40.174
tors. eta vs tors. theta energy: -65.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -810.361603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.361603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.361603 (E_RNA)
where:
Base-Base interactions energy: -512.426
where: short stacking energy: -261.040
Base-Backbone interact. energy: 0.049
local terms energy: -297.984685
where:
bonds (distance) C4'-P energy: -57.923
bonds (distance) P-C4' energy: -64.223
flat angles C4'-P-C4' energy: -63.353
flat angles P-C4'-P energy: -41.796
tors. eta vs tors. theta energy: -70.689
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: 3
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -771.308714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.308714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.308714 (E_RNA)
where:
Base-Base interactions energy: -509.164
where: short stacking energy: -237.002
Base-Backbone interact. energy: 3.612
local terms energy: -265.756209
where:
bonds (distance) C4'-P energy: -61.428
bonds (distance) P-C4' energy: -58.589
flat angles C4'-P-C4' energy: -56.052
flat angles P-C4'-P energy: -34.846
tors. eta vs tors. theta energy: -54.841
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: 8
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -658.867984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.867984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.867984 (E_RNA)
where:
Base-Base interactions energy: -415.073
where: short stacking energy: -196.436
Base-Backbone interact. energy: -0.066
local terms energy: -243.729627
where:
bonds (distance) C4'-P energy: -49.865
bonds (distance) P-C4' energy: -63.783
flat angles C4'-P-C4' energy: -48.462
flat angles P-C4'-P energy: -44.100
tors. eta vs tors. theta energy: -37.520
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: 6
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -601.582922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.582922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.582922 (E_RNA)
where:
Base-Base interactions energy: -355.618
where: short stacking energy: -178.233
Base-Backbone interact. energy: 1.571
local terms energy: -247.535504
where:
bonds (distance) C4'-P energy: -49.879
bonds (distance) P-C4' energy: -71.123
flat angles C4'-P-C4' energy: -56.416
flat angles P-C4'-P energy: -30.273
tors. eta vs tors. theta energy: -39.844
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: 5
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -394.628525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.628525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.628525 (E_RNA)
where:
Base-Base interactions energy: -206.763
where: short stacking energy: -142.723
Base-Backbone interact. energy: -1.023
local terms energy: -186.842689
where:
bonds (distance) C4'-P energy: -45.272
bonds (distance) P-C4' energy: -61.646
flat angles C4'-P-C4' energy: -48.691
flat angles P-C4'-P energy: -23.481
tors. eta vs tors. theta energy: -7.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -291.473399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.473399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.473399 (E_RNA)
where:
Base-Base interactions energy: -120.119
where: short stacking energy: -105.794
Base-Backbone interact. energy: 5.017
local terms energy: -176.371196
where:
bonds (distance) C4'-P energy: -59.690
bonds (distance) P-C4' energy: -51.009
flat angles C4'-P-C4' energy: -36.877
flat angles P-C4'-P energy: -19.642
tors. eta vs tors. theta energy: -9.154
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: 1
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -1056.675467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.675467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.675467 (E_RNA)
where:
Base-Base interactions energy: -715.526
where: short stacking energy: -318.521
Base-Backbone interact. energy: -1.308
local terms energy: -339.840935
where:
bonds (distance) C4'-P energy: -64.092
bonds (distance) P-C4' energy: -62.654
flat angles C4'-P-C4' energy: -67.678
flat angles P-C4'-P energy: -50.574
tors. eta vs tors. theta energy: -94.844
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: 4
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -992.933324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.933324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.933324 (E_RNA)
where:
Base-Base interactions energy: -663.773
where: short stacking energy: -287.909
Base-Backbone interact. energy: -2.458
local terms energy: -326.701813
where:
bonds (distance) C4'-P energy: -68.022
bonds (distance) P-C4' energy: -65.208
flat angles C4'-P-C4' energy: -67.967
flat angles P-C4'-P energy: -43.197
tors. eta vs tors. theta energy: -82.307
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: 9
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -1030.034931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.034931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.034931 (E_RNA)
where:
Base-Base interactions energy: -676.682
where: short stacking energy: -323.114
Base-Backbone interact. energy: -3.930
local terms energy: -349.423056
where:
bonds (distance) C4'-P energy: -68.967
bonds (distance) P-C4' energy: -71.518
flat angles C4'-P-C4' energy: -73.576
flat angles P-C4'-P energy: -46.015
tors. eta vs tors. theta energy: -89.347
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: 2
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -825.438008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.438008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.438008 (E_RNA)
where:
Base-Base interactions energy: -542.486
where: short stacking energy: -239.014
Base-Backbone interact. energy: -2.001
local terms energy: -280.950268
where:
bonds (distance) C4'-P energy: -60.236
bonds (distance) P-C4' energy: -61.567
flat angles C4'-P-C4' energy: -56.485
flat angles P-C4'-P energy: -40.974
tors. eta vs tors. theta energy: -61.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -829.935672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.935672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.935672 (E_RNA)
where:
Base-Base interactions energy: -551.786
where: short stacking energy: -250.940
Base-Backbone interact. energy: -1.061
local terms energy: -277.088379
where:
bonds (distance) C4'-P energy: -57.226
bonds (distance) P-C4' energy: -52.865
flat angles C4'-P-C4' energy: -74.126
flat angles P-C4'-P energy: -38.222
tors. eta vs tors. theta energy: -54.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -718.865479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.865479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.865479 (E_RNA)
where:
Base-Base interactions energy: -449.259
where: short stacking energy: -196.435
Base-Backbone interact. energy: -1.892
local terms energy: -267.714077
where:
bonds (distance) C4'-P energy: -51.171
bonds (distance) P-C4' energy: -65.942
flat angles C4'-P-C4' energy: -65.953
flat angles P-C4'-P energy: -40.999
tors. eta vs tors. theta energy: -43.649
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: 47
Temperature: 1.200000
Total energy: -696.916954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.916954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.916954 (E_RNA)
where:
Base-Base interactions energy: -477.656
where: short stacking energy: -208.784
Base-Backbone interact. energy: 3.947
local terms energy: -223.208207
where:
bonds (distance) C4'-P energy: -47.423
bonds (distance) P-C4' energy: -56.421
flat angles C4'-P-C4' energy: -63.555
flat angles P-C4'-P energy: -18.880
tors. eta vs tors. theta energy: -36.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -546.649669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.649669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.649669 (E_RNA)
where:
Base-Base interactions energy: -327.757
where: short stacking energy: -167.933
Base-Backbone interact. energy: -0.060
local terms energy: -218.832206
where:
bonds (distance) C4'-P energy: -53.723
bonds (distance) P-C4' energy: -55.032
flat angles C4'-P-C4' energy: -44.865
flat angles P-C4'-P energy: -38.640
tors. eta vs tors. theta energy: -26.572
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: 5
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -406.574971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.574971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.574971 (E_RNA)
where:
Base-Base interactions energy: -207.443
where: short stacking energy: -127.943
Base-Backbone interact. energy: -1.319
local terms energy: -197.813650
where:
bonds (distance) C4'-P energy: -56.454
bonds (distance) P-C4' energy: -48.231
flat angles C4'-P-C4' energy: -48.473
flat angles P-C4'-P energy: -40.195
tors. eta vs tors. theta energy: -4.460
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: 7
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -278.945679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.945679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.945679 (E_RNA)
where:
Base-Base interactions energy: -83.454
where: short stacking energy: -57.361
Base-Backbone interact. energy: -1.167
local terms energy: -194.324893
where:
bonds (distance) C4'-P energy: -59.004
bonds (distance) P-C4' energy: -56.969
flat angles C4'-P-C4' energy: -46.879
flat angles P-C4'-P energy: -40.201
tors. eta vs tors. theta energy: 8.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -1067.332906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.332906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.332906 (E_RNA)
where:
Base-Base interactions energy: -708.370
where: short stacking energy: -307.728
Base-Backbone interact. energy: -3.085
local terms energy: -355.877192
where:
bonds (distance) C4'-P energy: -71.691
bonds (distance) P-C4' energy: -70.828
flat angles C4'-P-C4' energy: -71.318
flat angles P-C4'-P energy: -53.213
tors. eta vs tors. theta energy: -88.828
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: 4
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -997.498409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.498409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.498409 (E_RNA)
where:
Base-Base interactions energy: -659.455
where: short stacking energy: -286.846
Base-Backbone interact. energy: -2.989
local terms energy: -335.054506
where:
bonds (distance) C4'-P energy: -60.140
bonds (distance) P-C4' energy: -74.612
flat angles C4'-P-C4' energy: -63.197
flat angles P-C4'-P energy: -49.579
tors. eta vs tors. theta energy: -87.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -984.601378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.601378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.601378 (E_RNA)
where:
Base-Base interactions energy: -670.241
where: short stacking energy: -312.262
Base-Backbone interact. energy: -2.731
local terms energy: -311.630054
where:
bonds (distance) C4'-P energy: -69.247
bonds (distance) P-C4' energy: -65.740
flat angles C4'-P-C4' energy: -64.359
flat angles P-C4'-P energy: -38.609
tors. eta vs tors. theta energy: -73.674
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: 4, replica: 2
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -821.138405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.138405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.138405 (E_RNA)
where:
Base-Base interactions energy: -532.729
where: short stacking energy: -240.760
Base-Backbone interact. energy: -1.541
local terms energy: -286.868853
where:
bonds (distance) C4'-P energy: -56.251
bonds (distance) P-C4' energy: -57.737
flat angles C4'-P-C4' energy: -56.166
flat angles P-C4'-P energy: -52.036
tors. eta vs tors. theta energy: -64.679
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: 10
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -853.370116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.370116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.370116 (E_RNA)
where:
Base-Base interactions energy: -558.137
where: short stacking energy: -272.886
Base-Backbone interact. energy: 0.115
local terms energy: -295.347867
where:
bonds (distance) C4'-P energy: -60.532
bonds (distance) P-C4' energy: -59.623
flat angles C4'-P-C4' energy: -66.257
flat angles P-C4'-P energy: -32.641
tors. eta vs tors. theta energy: -76.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -740.172961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.172961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.172961 (E_RNA)
where:
Base-Base interactions energy: -476.297
where: short stacking energy: -235.828
Base-Backbone interact. energy: -1.699
local terms energy: -262.176975
where:
bonds (distance) C4'-P energy: -45.965
bonds (distance) P-C4' energy: -70.424
flat angles C4'-P-C4' energy: -55.292
flat angles P-C4'-P energy: -35.050
tors. eta vs tors. theta energy: -55.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -712.093950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.093950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.093950 (E_RNA)
where:
Base-Base interactions energy: -474.248
where: short stacking energy: -220.497
Base-Backbone interact. energy: -1.614
local terms energy: -236.231921
where:
bonds (distance) C4'-P energy: -44.232
bonds (distance) P-C4' energy: -57.838
flat angles C4'-P-C4' energy: -48.100
flat angles P-C4'-P energy: -40.863
tors. eta vs tors. theta energy: -45.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -541.409781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.409781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.409781 (E_RNA)
where:
Base-Base interactions energy: -327.543
where: short stacking energy: -146.510
Base-Backbone interact. energy: -2.238
local terms energy: -211.628152
where:
bonds (distance) C4'-P energy: -60.617
bonds (distance) P-C4' energy: -59.503
flat angles C4'-P-C4' energy: -52.191
flat angles P-C4'-P energy: -24.155
tors. eta vs tors. theta energy: -15.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -397.486152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.486152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.486152 (E_RNA)
where:
Base-Base interactions energy: -187.290
where: short stacking energy: -123.898
Base-Backbone interact. energy: 1.386
local terms energy: -211.581543
where:
bonds (distance) C4'-P energy: -67.679
bonds (distance) P-C4' energy: -57.224
flat angles C4'-P-C4' energy: -45.329
flat angles P-C4'-P energy: -26.652
tors. eta vs tors. theta energy: -14.698
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: 7
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -310.927607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.927607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.927607 (E_RNA)
where:
Base-Base interactions energy: -141.190
where: short stacking energy: -95.362
Base-Backbone interact. energy: -1.334
local terms energy: -168.403340
where:
bonds (distance) C4'-P energy: -41.572
bonds (distance) P-C4' energy: -61.341
flat angles C4'-P-C4' energy: -44.299
flat angles P-C4'-P energy: -22.902
tors. eta vs tors. theta energy: 1.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -1087.528293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.528293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.528293 (E_RNA)
where:
Base-Base interactions energy: -721.678
where: short stacking energy: -318.647
Base-Backbone interact. energy: -1.621
local terms energy: -364.228969
where:
bonds (distance) C4'-P energy: -77.194
bonds (distance) P-C4' energy: -70.502
flat angles C4'-P-C4' energy: -68.925
flat angles P-C4'-P energy: -50.368
tors. eta vs tors. theta energy: -97.239
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: 4
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -994.492209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.492209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.492209 (E_RNA)
where:
Base-Base interactions energy: -674.395
where: short stacking energy: -298.630
Base-Backbone interact. energy: -3.090
local terms energy: -317.007259
where:
bonds (distance) C4'-P energy: -59.672
bonds (distance) P-C4' energy: -56.939
flat angles C4'-P-C4' energy: -69.159
flat angles P-C4'-P energy: -47.431
tors. eta vs tors. theta energy: -83.806
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: 9
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -979.681073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.681073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.681073 (E_RNA)
where:
Base-Base interactions energy: -682.194
where: short stacking energy: -285.669
Base-Backbone interact. energy: 0.684
local terms energy: -298.171415
where:
bonds (distance) C4'-P energy: -53.195
bonds (distance) P-C4' energy: -55.873
flat angles C4'-P-C4' energy: -70.548
flat angles P-C4'-P energy: -39.548
tors. eta vs tors. theta energy: -79.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -878.103139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.103139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.103139 (E_RNA)
where:
Base-Base interactions energy: -567.980
where: short stacking energy: -246.072
Base-Backbone interact. energy: 1.971
local terms energy: -312.093862
where:
bonds (distance) C4'-P energy: -65.298
bonds (distance) P-C4' energy: -73.768
flat angles C4'-P-C4' energy: -65.298
flat angles P-C4'-P energy: -45.433
tors. eta vs tors. theta energy: -62.297
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: 10
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -787.446276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.446276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.446276 (E_RNA)
where:
Base-Base interactions energy: -498.739
where: short stacking energy: -235.852
Base-Backbone interact. energy: -0.180
local terms energy: -288.527560
where:
bonds (distance) C4'-P energy: -60.008
bonds (distance) P-C4' energy: -59.456
flat angles C4'-P-C4' energy: -60.292
flat angles P-C4'-P energy: -38.100
tors. eta vs tors. theta energy: -70.670
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: 6, replica: 8
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -723.866164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.866164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.866164 (E_RNA)
where:
Base-Base interactions energy: -481.676
where: short stacking energy: -185.104
Base-Backbone interact. energy: 2.202
local terms energy: -244.391765
where:
bonds (distance) C4'-P energy: -60.575
bonds (distance) P-C4' energy: -59.823
flat angles C4'-P-C4' energy: -54.899
flat angles P-C4'-P energy: -36.693
tors. eta vs tors. theta energy: -32.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -730.348984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.348984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.348984 (E_RNA)
where:
Base-Base interactions energy: -472.692
where: short stacking energy: -213.702
Base-Backbone interact. energy: -0.405
local terms energy: -257.251948
where:
bonds (distance) C4'-P energy: -44.147
bonds (distance) P-C4' energy: -63.865
flat angles C4'-P-C4' energy: -65.048
flat angles P-C4'-P energy: -36.795
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: 8, replica: 6
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -584.165543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.165543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.165543 (E_RNA)
where:
Base-Base interactions energy: -333.709
where: short stacking energy: -158.226
Base-Backbone interact. energy: -2.215
local terms energy: -248.241344
where:
bonds (distance) C4'-P energy: -49.741
bonds (distance) P-C4' energy: -64.968
flat angles C4'-P-C4' energy: -47.286
flat angles P-C4'-P energy: -52.412
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: 9, replica: 5
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -329.548345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.548345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.548345 (E_RNA)
where:
Base-Base interactions energy: -153.042
where: short stacking energy: -92.466
Base-Backbone interact. energy: -0.542
local terms energy: -175.964198
where:
bonds (distance) C4'-P energy: -51.312
bonds (distance) P-C4' energy: -60.502
flat angles C4'-P-C4' energy: -44.927
flat angles P-C4'-P energy: -15.901
tors. eta vs tors. theta energy: -3.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -278.230342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.230342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.230342 (E_RNA)
where:
Base-Base interactions energy: -98.719
where: short stacking energy: -82.638
Base-Backbone interact. energy: -0.569
local terms energy: -178.943119
where:
bonds (distance) C4'-P energy: -56.389
bonds (distance) P-C4' energy: -52.970
flat angles C4'-P-C4' energy: -54.068
flat angles P-C4'-P energy: -21.793
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: 1, replica: 1
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -1069.577577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.577577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.577577 (E_RNA)
where:
Base-Base interactions energy: -712.891
where: short stacking energy: -319.895
Base-Backbone interact. energy: -2.622
local terms energy: -354.064223
where:
bonds (distance) C4'-P energy: -68.055
bonds (distance) P-C4' energy: -65.126
flat angles C4'-P-C4' energy: -75.922
flat angles P-C4'-P energy: -50.629
tors. eta vs tors. theta energy: -94.332
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: 50
Temperature: 0.950000
Total energy: -995.893731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.893731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.893731 (E_RNA)
where:
Base-Base interactions energy: -668.241
where: short stacking energy: -302.445
Base-Backbone interact. energy: -0.354
local terms energy: -327.298945
where:
bonds (distance) C4'-P energy: -63.522
bonds (distance) P-C4' energy: -60.143
flat angles C4'-P-C4' energy: -76.222
flat angles P-C4'-P energy: -48.633
tors. eta vs tors. theta energy: -78.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -1003.492159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.492159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.492159 (E_RNA)
where:
Base-Base interactions energy: -683.314
where: short stacking energy: -313.701
Base-Backbone interact. energy: 0.982
local terms energy: -321.159563
where:
bonds (distance) C4'-P energy: -68.673
bonds (distance) P-C4' energy: -59.337
flat angles C4'-P-C4' energy: -64.738
flat angles P-C4'-P energy: -40.343
tors. eta vs tors. theta energy: -88.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -882.338076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.338076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.338076 (E_RNA)
where:
Base-Base interactions energy: -575.889
where: short stacking energy: -277.404
Base-Backbone interact. energy: -0.320
local terms energy: -306.128356
where:
bonds (distance) C4'-P energy: -69.765
bonds (distance) P-C4' energy: -59.810
flat angles C4'-P-C4' energy: -64.025
flat angles P-C4'-P energy: -48.042
tors. eta vs tors. theta energy: -64.486
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: 10
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -809.574120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.574120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.574120 (E_RNA)
where:
Base-Base interactions energy: -519.383
where: short stacking energy: -233.939
Base-Backbone interact. energy: 0.450
local terms energy: -290.640404
where:
bonds (distance) C4'-P energy: -64.070
bonds (distance) P-C4' energy: -60.466
flat angles C4'-P-C4' energy: -68.465
flat angles P-C4'-P energy: -27.258
tors. eta vs tors. theta energy: -70.382
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: 8
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -781.392263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.392263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.392263 (E_RNA)
where:
Base-Base interactions energy: -498.916
where: short stacking energy: -257.376
Base-Backbone interact. energy: -0.426
local terms energy: -282.050138
where:
bonds (distance) C4'-P energy: -61.169
bonds (distance) P-C4' energy: -69.452
flat angles C4'-P-C4' energy: -56.708
flat angles P-C4'-P energy: -34.843
tors. eta vs tors. theta energy: -59.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -727.074878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.074878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.074878 (E_RNA)
where:
Base-Base interactions energy: -469.771
where: short stacking energy: -221.108
Base-Backbone interact. energy: -0.296
local terms energy: -257.008147
where:
bonds (distance) C4'-P energy: -55.993
bonds (distance) P-C4' energy: -51.497
flat angles C4'-P-C4' energy: -55.451
flat angles P-C4'-P energy: -38.192
tors. eta vs tors. theta energy: -55.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -659.137589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.137589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.137589 (E_RNA)
where:
Base-Base interactions energy: -419.499
where: short stacking energy: -203.366
Base-Backbone interact. energy: -0.891
local terms energy: -238.746889
where:
bonds (distance) C4'-P energy: -46.907
bonds (distance) P-C4' energy: -55.862
flat angles C4'-P-C4' energy: -50.304
flat angles P-C4'-P energy: -37.375
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: 9, replica: 5
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -354.400387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.400387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.400387 (E_RNA)
where:
Base-Base interactions energy: -175.971
where: short stacking energy: -119.115
Base-Backbone interact. energy: 0.590
local terms energy: -179.020237
where:
bonds (distance) C4'-P energy: -50.307
bonds (distance) P-C4' energy: -62.119
flat angles C4'-P-C4' energy: -34.663
flat angles P-C4'-P energy: -27.636
tors. eta vs tors. theta energy: -4.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -282.167856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.167856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.167856 (E_RNA)
where:
Base-Base interactions energy: -127.053
where: short stacking energy: -109.228
Base-Backbone interact. energy: -0.116
local terms energy: -154.999031
where:
bonds (distance) C4'-P energy: -37.914
bonds (distance) P-C4' energy: -40.894
flat angles C4'-P-C4' energy: -54.095
flat angles P-C4'-P energy: -18.088
tors. eta vs tors. theta energy: -4.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -1074.611499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.611499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.611499 (E_RNA)
where:
Base-Base interactions energy: -722.613
where: short stacking energy: -329.938
Base-Backbone interact. energy: -2.108
local terms energy: -349.889977
where:
bonds (distance) C4'-P energy: -68.096
bonds (distance) P-C4' energy: -70.030
flat angles C4'-P-C4' energy: -71.246
flat angles P-C4'-P energy: -48.120
tors. eta vs tors. theta energy: -92.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -1011.607291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.607291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.607291 (E_RNA)
where:
Base-Base interactions energy: -667.365
where: short stacking energy: -305.367
Base-Backbone interact. energy: -2.125
local terms energy: -342.117004
where:
bonds (distance) C4'-P energy: -68.797
bonds (distance) P-C4' energy: -61.304
flat angles C4'-P-C4' energy: -74.313
flat angles P-C4'-P energy: -47.447
tors. eta vs tors. theta energy: -90.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -965.805029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.805029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.805029 (E_RNA)
where:
Base-Base interactions energy: -653.162
where: short stacking energy: -289.642
Base-Backbone interact. energy: -2.935
local terms energy: -309.707900
where:
bonds (distance) C4'-P energy: -57.717
bonds (distance) P-C4' energy: -65.818
flat angles C4'-P-C4' energy: -66.983
flat angles P-C4'-P energy: -41.026
tors. eta vs tors. theta energy: -78.164
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: 2
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -903.534321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.534321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.534321 (E_RNA)
where:
Base-Base interactions energy: -608.238
where: short stacking energy: -284.107
Base-Backbone interact. energy: -0.060
local terms energy: -295.236730
where:
bonds (distance) C4'-P energy: -58.709
bonds (distance) P-C4' energy: -63.375
flat angles C4'-P-C4' energy: -60.953
flat angles P-C4'-P energy: -40.754
tors. eta vs tors. theta energy: -71.446
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: 10
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -772.656820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.656820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.656820 (E_RNA)
where:
Base-Base interactions energy: -488.589
where: short stacking energy: -243.209
Base-Backbone interact. energy: 0.064
local terms energy: -284.131821
where:
bonds (distance) C4'-P energy: -56.414
bonds (distance) P-C4' energy: -63.983
flat angles C4'-P-C4' energy: -58.134
flat angles P-C4'-P energy: -39.503
tors. eta vs tors. theta energy: -66.099
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: 8
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -769.204245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.204245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.204245 (E_RNA)
where:
Base-Base interactions energy: -496.537
where: short stacking energy: -239.235
Base-Backbone interact. energy: -0.090
local terms energy: -272.576783
where:
bonds (distance) C4'-P energy: -65.872
bonds (distance) P-C4' energy: -55.466
flat angles C4'-P-C4' energy: -61.470
flat angles P-C4'-P energy: -38.382
tors. eta vs tors. theta energy: -51.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -725.251193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.251193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.251193 (E_RNA)
where:
Base-Base interactions energy: -458.307
where: short stacking energy: -207.586
Base-Backbone interact. energy: -2.036
local terms energy: -264.908625
where:
bonds (distance) C4'-P energy: -65.835
bonds (distance) P-C4' energy: -54.191
flat angles C4'-P-C4' energy: -60.316
flat angles P-C4'-P energy: -39.118
tors. eta vs tors. theta energy: -45.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -659.631526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.631526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.631526 (E_RNA)
where:
Base-Base interactions energy: -409.148
where: short stacking energy: -198.118
Base-Backbone interact. energy: 0.726
local terms energy: -251.210089
where:
bonds (distance) C4'-P energy: -52.048
bonds (distance) P-C4' energy: -46.969
flat angles C4'-P-C4' energy: -68.964
flat angles P-C4'-P energy: -46.601
tors. eta vs tors. theta energy: -36.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -413.889745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.889745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.889745 (E_RNA)
where:
Base-Base interactions energy: -217.231
where: short stacking energy: -119.922
Base-Backbone interact. energy: -1.529
local terms energy: -195.129913
where:
bonds (distance) C4'-P energy: -51.934
bonds (distance) P-C4' energy: -53.478
flat angles C4'-P-C4' energy: -61.178
flat angles P-C4'-P energy: -19.336
tors. eta vs tors. theta energy: -9.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -290.274220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.274220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.274220 (E_RNA)
where:
Base-Base interactions energy: -129.460
where: short stacking energy: -70.367
Base-Backbone interact. energy: -2.454
local terms energy: -158.360928
where:
bonds (distance) C4'-P energy: -45.310
bonds (distance) P-C4' energy: -61.021
flat angles C4'-P-C4' energy: -44.546
flat angles P-C4'-P energy: -28.788
tors. eta vs tors. theta energy: 21.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -1057.221587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.221587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.221587 (E_RNA)
where:
Base-Base interactions energy: -710.175
where: short stacking energy: -319.293
Base-Backbone interact. energy: -2.178
local terms energy: -344.867995
where:
bonds (distance) C4'-P energy: -68.702
bonds (distance) P-C4' energy: -71.181
flat angles C4'-P-C4' energy: -76.101
flat angles P-C4'-P energy: -43.727
tors. eta vs tors. theta energy: -85.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -1016.414192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.414192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.414192 (E_RNA)
where:
Base-Base interactions energy: -685.438
where: short stacking energy: -311.238
Base-Backbone interact. energy: -1.467
local terms energy: -329.509009
where:
bonds (distance) C4'-P energy: -62.574
bonds (distance) P-C4' energy: -56.887
flat angles C4'-P-C4' energy: -70.156
flat angles P-C4'-P energy: -50.464
tors. eta vs tors. theta energy: -89.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -985.287226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.287226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.287226 (E_RNA)
where:
Base-Base interactions energy: -676.944
where: short stacking energy: -273.671
Base-Backbone interact. energy: -1.312
local terms energy: -307.031871
where:
bonds (distance) C4'-P energy: -55.224
bonds (distance) P-C4' energy: -63.224
flat angles C4'-P-C4' energy: -60.831
flat angles P-C4'-P energy: -47.028
tors. eta vs tors. theta energy: -80.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -867.381020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.381020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.381020 (E_RNA)
where:
Base-Base interactions energy: -592.104
where: short stacking energy: -251.122
Base-Backbone interact. energy: 1.231
local terms energy: -276.508169
where:
bonds (distance) C4'-P energy: -59.551
bonds (distance) P-C4' energy: -56.731
flat angles C4'-P-C4' energy: -60.277
flat angles P-C4'-P energy: -43.216
tors. eta vs tors. theta energy: -56.734
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: 10
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -797.317737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.317737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.317737 (E_RNA)
where:
Base-Base interactions energy: -530.809
where: short stacking energy: -252.513
Base-Backbone interact. energy: 0.053
local terms energy: -266.561939
where:
bonds (distance) C4'-P energy: -50.705
bonds (distance) P-C4' energy: -61.217
flat angles C4'-P-C4' energy: -57.669
flat angles P-C4'-P energy: -31.066
tors. eta vs tors. theta energy: -65.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -748.261177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.261177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.261177 (E_RNA)
where:
Base-Base interactions energy: -481.337
where: short stacking energy: -203.702
Base-Backbone interact. energy: 1.050
local terms energy: -267.973945
where:
bonds (distance) C4'-P energy: -63.308
bonds (distance) P-C4' energy: -66.922
flat angles C4'-P-C4' energy: -60.940
flat angles P-C4'-P energy: -42.863
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: 7, replica: 3
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -707.961783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.961783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.961783 (E_RNA)
where:
Base-Base interactions energy: -461.700
where: short stacking energy: -218.914
Base-Backbone interact. energy: 0.284
local terms energy: -246.546488
where:
bonds (distance) C4'-P energy: -45.881
bonds (distance) P-C4' energy: -55.617
flat angles C4'-P-C4' energy: -51.628
flat angles P-C4'-P energy: -46.972
tors. eta vs tors. theta energy: -46.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -612.476602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.476602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.476602 (E_RNA)
where:
Base-Base interactions energy: -372.410
where: short stacking energy: -184.940
Base-Backbone interact. energy: -0.802
local terms energy: -239.264736
where:
bonds (distance) C4'-P energy: -54.661
bonds (distance) P-C4' energy: -65.675
flat angles C4'-P-C4' energy: -54.490
flat angles P-C4'-P energy: -34.130
tors. eta vs tors. theta energy: -30.308
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: 5
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -325.171278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.171278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.171278 (E_RNA)
where:
Base-Base interactions energy: -116.407
where: short stacking energy: -106.738
Base-Backbone interact. energy: 0.323
local terms energy: -209.087281
where:
bonds (distance) C4'-P energy: -57.641
bonds (distance) P-C4' energy: -56.060
flat angles C4'-P-C4' energy: -61.976
flat angles P-C4'-P energy: -26.244
tors. eta vs tors. theta energy: -7.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -292.290087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.290087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.290087 (E_RNA)
where:
Base-Base interactions energy: -130.698
where: short stacking energy: -97.704
Base-Backbone interact. energy: 2.110
local terms energy: -163.702650
where:
bonds (distance) C4'-P energy: -49.259
bonds (distance) P-C4' energy: -55.295
flat angles C4'-P-C4' energy: -39.992
flat angles P-C4'-P energy: -28.047
tors. eta vs tors. theta energy: 8.890
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: 1
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -1087.874901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.874901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.874901 (E_RNA)
where:
Base-Base interactions energy: -754.190
where: short stacking energy: -326.031
Base-Backbone interact. energy: -0.391
local terms energy: -333.293850
where:
bonds (distance) C4'-P energy: -62.242
bonds (distance) P-C4' energy: -71.854
flat angles C4'-P-C4' energy: -65.415
flat angles P-C4'-P energy: -40.363
tors. eta vs tors. theta energy: -93.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -1009.261365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.261365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.261365 (E_RNA)
where:
Base-Base interactions energy: -676.715
where: short stacking energy: -307.455
Base-Backbone interact. energy: 0.324
local terms energy: -332.869801
where:
bonds (distance) C4'-P energy: -62.128
bonds (distance) P-C4' energy: -56.850
flat angles C4'-P-C4' energy: -73.147
flat angles P-C4'-P energy: -52.853
tors. eta vs tors. theta energy: -87.891
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: 3, replica: 4
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -956.323631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.323631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.323631 (E_RNA)
where:
Base-Base interactions energy: -652.609
where: short stacking energy: -282.324
Base-Backbone interact. energy: -4.106
local terms energy: -299.609267
where:
bonds (distance) C4'-P energy: -51.538
bonds (distance) P-C4' energy: -65.687
flat angles C4'-P-C4' energy: -67.132
flat angles P-C4'-P energy: -41.434
tors. eta vs tors. theta energy: -73.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -861.994366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.994366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.994366 (E_RNA)
where:
Base-Base interactions energy: -560.884
where: short stacking energy: -246.946
Base-Backbone interact. energy: 0.097
local terms energy: -301.206845
where:
bonds (distance) C4'-P energy: -64.152
bonds (distance) P-C4' energy: -68.554
flat angles C4'-P-C4' energy: -62.303
flat angles P-C4'-P energy: -49.612
tors. eta vs tors. theta energy: -56.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -807.979251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.979251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.979251 (E_RNA)
where:
Base-Base interactions energy: -523.080
where: short stacking energy: -242.756
Base-Backbone interact. energy: -0.698
local terms energy: -284.201665
where:
bonds (distance) C4'-P energy: -55.796
bonds (distance) P-C4' energy: -70.601
flat angles C4'-P-C4' energy: -57.830
flat angles P-C4'-P energy: -40.104
tors. eta vs tors. theta energy: -59.871
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: 8
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -771.645427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.645427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.645427 (E_RNA)
where:
Base-Base interactions energy: -492.813
where: short stacking energy: -233.937
Base-Backbone interact. energy: -1.138
local terms energy: -277.693855
where:
bonds (distance) C4'-P energy: -60.723
bonds (distance) P-C4' energy: -73.868
flat angles C4'-P-C4' energy: -57.257
flat angles P-C4'-P energy: -38.076
tors. eta vs tors. theta energy: -47.769
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: 3
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -684.053490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.053490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.053490 (E_RNA)
where:
Base-Base interactions energy: -440.910
where: short stacking energy: -211.043
Base-Backbone interact. energy: -1.254
local terms energy: -241.889344
where:
bonds (distance) C4'-P energy: -55.080
bonds (distance) P-C4' energy: -61.433
flat angles C4'-P-C4' energy: -41.896
flat angles P-C4'-P energy: -43.712
tors. eta vs tors. theta energy: -39.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -647.565954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.565954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.565954 (E_RNA)
where:
Base-Base interactions energy: -413.268
where: short stacking energy: -181.796
Base-Backbone interact. energy: -1.076
local terms energy: -233.222170
where:
bonds (distance) C4'-P energy: -53.259
bonds (distance) P-C4' energy: -54.929
flat angles C4'-P-C4' energy: -57.299
flat angles P-C4'-P energy: -34.757
tors. eta vs tors. theta energy: -32.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -362.528914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.528914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.528914 (E_RNA)
where:
Base-Base interactions energy: -174.355
where: short stacking energy: -102.102
Base-Backbone interact. energy: -1.152
local terms energy: -187.021563
where:
bonds (distance) C4'-P energy: -50.668
bonds (distance) P-C4' energy: -58.027
flat angles C4'-P-C4' energy: -45.831
flat angles P-C4'-P energy: -33.177
tors. eta vs tors. theta energy: 0.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -287.305214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.305214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.305214 (E_RNA)
where:
Base-Base interactions energy: -115.799
where: short stacking energy: -71.321
Base-Backbone interact. energy: 0.217
local terms energy: -171.722773
where:
bonds (distance) C4'-P energy: -45.937
bonds (distance) P-C4' energy: -52.906
flat angles C4'-P-C4' energy: -55.246
flat angles P-C4'-P energy: -32.711
tors. eta vs tors. theta energy: 15.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -1065.700956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.700956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.700956 (E_RNA)
where:
Base-Base interactions energy: -727.202
where: short stacking energy: -328.264
Base-Backbone interact. energy: -1.884
local terms energy: -336.615006
where:
bonds (distance) C4'-P energy: -58.334
bonds (distance) P-C4' energy: -60.952
flat angles C4'-P-C4' energy: -81.658
flat angles P-C4'-P energy: -49.194
tors. eta vs tors. theta energy: -86.476
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: 2, replica: 9
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -1012.270466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.270466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.270466 (E_RNA)
where:
Base-Base interactions energy: -678.931
where: short stacking energy: -317.194
Base-Backbone interact. energy: 1.144
local terms energy: -334.483879
where:
bonds (distance) C4'-P energy: -70.641
bonds (distance) P-C4' energy: -63.765
flat angles C4'-P-C4' energy: -72.905
flat angles P-C4'-P energy: -35.912
tors. eta vs tors. theta energy: -91.260
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: 3, replica: 4
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -944.553440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.553440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.553440 (E_RNA)
where:
Base-Base interactions energy: -645.749
where: short stacking energy: -285.792
Base-Backbone interact. energy: 0.583
local terms energy: -299.387698
where:
bonds (distance) C4'-P energy: -62.643
bonds (distance) P-C4' energy: -57.276
flat angles C4'-P-C4' energy: -65.257
flat angles P-C4'-P energy: -46.352
tors. eta vs tors. theta energy: -67.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -851.480011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.480011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.480011 (E_RNA)
where:
Base-Base interactions energy: -566.534
where: short stacking energy: -243.232
Base-Backbone interact. energy: -2.434
local terms energy: -282.511850
where:
bonds (distance) C4'-P energy: -63.137
bonds (distance) P-C4' energy: -62.403
flat angles C4'-P-C4' energy: -65.583
flat angles P-C4'-P energy: -47.283
tors. eta vs tors. theta energy: -44.106
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: 5, replica: 10
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -774.662779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.662779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.662779 (E_RNA)
where:
Base-Base interactions energy: -497.066
where: short stacking energy: -233.144
Base-Backbone interact. energy: 0.681
local terms energy: -278.277766
where:
bonds (distance) C4'-P energy: -55.583
bonds (distance) P-C4' energy: -60.801
flat angles C4'-P-C4' energy: -65.668
flat angles P-C4'-P energy: -42.336
tors. eta vs tors. theta energy: -53.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -741.925392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.925392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.925392 (E_RNA)
where:
Base-Base interactions energy: -499.816
where: short stacking energy: -206.964
Base-Backbone interact. energy: 0.219
local terms energy: -242.328766
where:
bonds (distance) C4'-P energy: -56.950
bonds (distance) P-C4' energy: -54.793
flat angles C4'-P-C4' energy: -60.692
flat angles P-C4'-P energy: -31.587
tors. eta vs tors. theta energy: -38.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -730.245402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.245402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.245402 (E_RNA)
where:
Base-Base interactions energy: -458.875
where: short stacking energy: -203.797
Base-Backbone interact. energy: 0.547
local terms energy: -271.917573
where:
bonds (distance) C4'-P energy: -63.549
bonds (distance) P-C4' energy: -62.019
flat angles C4'-P-C4' energy: -56.413
flat angles P-C4'-P energy: -41.249
tors. eta vs tors. theta energy: -48.687
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: 3
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -645.733783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.733783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.733783 (E_RNA)
where:
Base-Base interactions energy: -414.599
where: short stacking energy: -187.956
Base-Backbone interact. energy: 1.058
local terms energy: -232.193199
where:
bonds (distance) C4'-P energy: -49.978
bonds (distance) P-C4' energy: -59.336
flat angles C4'-P-C4' energy: -52.805
flat angles P-C4'-P energy: -30.318
tors. eta vs tors. theta energy: -39.756
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: 9, replica: 5
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -380.046470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.046470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.046470 (E_RNA)
where:
Base-Base interactions energy: -173.915
where: short stacking energy: -103.682
Base-Backbone interact. energy: -0.529
local terms energy: -205.602133
where:
bonds (distance) C4'-P energy: -62.745
bonds (distance) P-C4' energy: -61.222
flat angles C4'-P-C4' energy: -49.359
flat angles P-C4'-P energy: -33.138
tors. eta vs tors. theta energy: 0.863
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: 7
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -264.493436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.493436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.493436 (E_RNA)
where:
Base-Base interactions energy: -97.015
where: short stacking energy: -89.181
Base-Backbone interact. energy: -1.947
local terms energy: -165.532257
where:
bonds (distance) C4'-P energy: -44.018
bonds (distance) P-C4' energy: -54.515
flat angles C4'-P-C4' energy: -43.434
flat angles P-C4'-P energy: -29.350
tors. eta vs tors. theta energy: 5.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -1080.640640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.640640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.640640 (E_RNA)
where:
Base-Base interactions energy: -732.041
where: short stacking energy: -330.965
Base-Backbone interact. energy: -1.988
local terms energy: -346.611962
where:
bonds (distance) C4'-P energy: -78.278
bonds (distance) P-C4' energy: -58.407
flat angles C4'-P-C4' energy: -63.843
flat angles P-C4'-P energy: -55.766
tors. eta vs tors. theta energy: -90.318
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: 9
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -1008.552100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.552100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.552100 (E_RNA)
where:
Base-Base interactions energy: -682.616
where: short stacking energy: -321.712
Base-Backbone interact. energy: -1.249
local terms energy: -324.686797
where:
bonds (distance) C4'-P energy: -62.456
bonds (distance) P-C4' energy: -57.044
flat angles C4'-P-C4' energy: -74.080
flat angles P-C4'-P energy: -44.352
tors. eta vs tors. theta energy: -86.754
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: 4
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -917.766158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.766158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.766158 (E_RNA)
where:
Base-Base interactions energy: -599.516
where: short stacking energy: -288.751
Base-Backbone interact. energy: -2.547
local terms energy: -315.702605
where:
bonds (distance) C4'-P energy: -64.343
bonds (distance) P-C4' energy: -63.239
flat angles C4'-P-C4' energy: -63.471
flat angles P-C4'-P energy: -50.108
tors. eta vs tors. theta energy: -74.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -883.836865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.836865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.836865 (E_RNA)
where:
Base-Base interactions energy: -599.424
where: short stacking energy: -271.701
Base-Backbone interact. energy: -1.203
local terms energy: -283.210230
where:
bonds (distance) C4'-P energy: -56.942
bonds (distance) P-C4' energy: -65.797
flat angles C4'-P-C4' energy: -62.934
flat angles P-C4'-P energy: -37.998
tors. eta vs tors. theta energy: -59.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -775.355657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.355657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.355657 (E_RNA)
where:
Base-Base interactions energy: -485.449
where: short stacking energy: -238.991
Base-Backbone interact. energy: -1.242
local terms energy: -288.664543
where:
bonds (distance) C4'-P energy: -53.352
bonds (distance) P-C4' energy: -60.270
flat angles C4'-P-C4' energy: -67.789
flat angles P-C4'-P energy: -43.475
tors. eta vs tors. theta energy: -63.778
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: 8
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -725.848074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.848074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.848074 (E_RNA)
where:
Base-Base interactions energy: -448.131
where: short stacking energy: -209.701
Base-Backbone interact. energy: -1.381
local terms energy: -276.335649
where:
bonds (distance) C4'-P energy: -63.779
bonds (distance) P-C4' energy: -60.724
flat angles C4'-P-C4' energy: -57.664
flat angles P-C4'-P energy: -47.226
tors. eta vs tors. theta energy: -46.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -682.871767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.871767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.871767 (E_RNA)
where:
Base-Base interactions energy: -439.031
where: short stacking energy: -204.328
Base-Backbone interact. energy: -0.884
local terms energy: -242.957626
where:
bonds (distance) C4'-P energy: -54.919
bonds (distance) P-C4' energy: -57.938
flat angles C4'-P-C4' energy: -56.662
flat angles P-C4'-P energy: -27.820
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: 8, replica: 3
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -703.282359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.282359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.282359 (E_RNA)
where:
Base-Base interactions energy: -473.477
where: short stacking energy: -208.528
Base-Backbone interact. energy: -0.005
local terms energy: -229.800380
where:
bonds (distance) C4'-P energy: -46.750
bonds (distance) P-C4' energy: -52.384
flat angles C4'-P-C4' energy: -54.515
flat angles P-C4'-P energy: -33.241
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: 9, replica: 5
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -356.400418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.400418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.400418 (E_RNA)
where:
Base-Base interactions energy: -167.586
where: short stacking energy: -98.056
Base-Backbone interact. energy: 1.771
local terms energy: -190.584830
where:
bonds (distance) C4'-P energy: -61.077
bonds (distance) P-C4' energy: -65.458
flat angles C4'-P-C4' energy: -50.440
flat angles P-C4'-P energy: -15.480
tors. eta vs tors. theta energy: 1.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -299.399146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.399146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.399146 (E_RNA)
where:
Base-Base interactions energy: -105.656
where: short stacking energy: -83.484
Base-Backbone interact. energy: -0.665
local terms energy: -193.078522
where:
bonds (distance) C4'-P energy: -58.088
bonds (distance) P-C4' energy: -51.074
flat angles C4'-P-C4' energy: -47.971
flat angles P-C4'-P energy: -39.388
tors. eta vs tors. theta energy: 3.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -1069.148017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.148017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.148017 (E_RNA)
where:
Base-Base interactions energy: -720.713
where: short stacking energy: -321.480
Base-Backbone interact. energy: -2.086
local terms energy: -346.348915
where:
bonds (distance) C4'-P energy: -68.058
bonds (distance) P-C4' energy: -69.399
flat angles C4'-P-C4' energy: -72.446
flat angles P-C4'-P energy: -49.889
tors. eta vs tors. theta energy: -86.557
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: 2, replica: 9
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -1006.307706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.307706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.307706 (E_RNA)
where:
Base-Base interactions energy: -679.386
where: short stacking energy: -327.218
Base-Backbone interact. energy: -1.569
local terms energy: -325.352648
where:
bonds (distance) C4'-P energy: -58.584
bonds (distance) P-C4' energy: -58.409
flat angles C4'-P-C4' energy: -81.665
flat angles P-C4'-P energy: -39.530
tors. eta vs tors. theta energy: -87.165
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: 4
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -936.251145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.251145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.251145 (E_RNA)
where:
Base-Base interactions energy: -614.831
where: short stacking energy: -283.821
Base-Backbone interact. energy: -2.104
local terms energy: -319.315839
where:
bonds (distance) C4'-P energy: -68.428
bonds (distance) P-C4' energy: -73.095
flat angles C4'-P-C4' energy: -66.152
flat angles P-C4'-P energy: -44.640
tors. eta vs tors. theta energy: -67.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -875.977148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.977148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.977148 (E_RNA)
where:
Base-Base interactions energy: -563.887
where: short stacking energy: -253.489
Base-Backbone interact. energy: -1.782
local terms energy: -310.308095
where:
bonds (distance) C4'-P energy: -57.523
bonds (distance) P-C4' energy: -64.813
flat angles C4'-P-C4' energy: -70.024
flat angles P-C4'-P energy: -54.021
tors. eta vs tors. theta energy: -63.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -782.877290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.877290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.877290 (E_RNA)
where:
Base-Base interactions energy: -494.106
where: short stacking energy: -269.818
Base-Backbone interact. energy: 0.484
local terms energy: -289.255293
where:
bonds (distance) C4'-P energy: -58.129
bonds (distance) P-C4' energy: -52.277
flat angles C4'-P-C4' energy: -60.991
flat angles P-C4'-P energy: -41.196
tors. eta vs tors. theta energy: -76.663
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: 8
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -798.907087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.907087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.907087 (E_RNA)
where:
Base-Base interactions energy: -522.031
where: short stacking energy: -228.016
Base-Backbone interact. energy: -0.819
local terms energy: -276.056835
where:
bonds (distance) C4'-P energy: -60.303
bonds (distance) P-C4' energy: -66.155
flat angles C4'-P-C4' energy: -63.248
flat angles P-C4'-P energy: -42.252
tors. eta vs tors. theta energy: -44.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -786.319113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.319113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.319113 (E_RNA)
where:
Base-Base interactions energy: -537.444
where: short stacking energy: -219.777
Base-Backbone interact. energy: -0.656
local terms energy: -248.219025
where:
bonds (distance) C4'-P energy: -48.724
bonds (distance) P-C4' energy: -55.903
flat angles C4'-P-C4' energy: -62.094
flat angles P-C4'-P energy: -41.490
tors. eta vs tors. theta energy: -40.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -650.090073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.090073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.090073 (E_RNA)
where:
Base-Base interactions energy: -392.558
where: short stacking energy: -191.256
Base-Backbone interact. energy: -0.028
local terms energy: -257.503911
where:
bonds (distance) C4'-P energy: -60.801
bonds (distance) P-C4' energy: -55.029
flat angles C4'-P-C4' energy: -59.400
flat angles P-C4'-P energy: -41.560
tors. eta vs tors. theta energy: -40.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -373.440662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.440662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.440662 (E_RNA)
where:
Base-Base interactions energy: -190.925
where: short stacking energy: -125.088
Base-Backbone interact. energy: 2.110
local terms energy: -184.625526
where:
bonds (distance) C4'-P energy: -49.652
bonds (distance) P-C4' energy: -60.751
flat angles C4'-P-C4' energy: -37.371
flat angles P-C4'-P energy: -30.957
tors. eta vs tors. theta energy: -5.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -275.175975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.175975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.175975 (E_RNA)
where:
Base-Base interactions energy: -93.952
where: short stacking energy: -79.776
Base-Backbone interact. energy: -1.470
local terms energy: -179.754916
where:
bonds (distance) C4'-P energy: -55.830
bonds (distance) P-C4' energy: -55.969
flat angles C4'-P-C4' energy: -53.267
flat angles P-C4'-P energy: -21.444
tors. eta vs tors. theta energy: 6.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -1080.243634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.243634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.243634 (E_RNA)
where:
Base-Base interactions energy: -742.223
where: short stacking energy: -335.902
Base-Backbone interact. energy: -1.421
local terms energy: -336.600237
where:
bonds (distance) C4'-P energy: -51.768
bonds (distance) P-C4' energy: -72.101
flat angles C4'-P-C4' energy: -75.045
flat angles P-C4'-P energy: -49.320
tors. eta vs tors. theta energy: -88.367
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: 9
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -1010.781379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.781379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.781379 (E_RNA)
where:
Base-Base interactions energy: -686.300
where: short stacking energy: -323.069
Base-Backbone interact. energy: -1.150
local terms energy: -323.331467
where:
bonds (distance) C4'-P energy: -64.134
bonds (distance) P-C4' energy: -59.500
flat angles C4'-P-C4' energy: -70.779
flat angles P-C4'-P energy: -45.025
tors. eta vs tors. theta energy: -83.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -928.823845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.823845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.823845 (E_RNA)
where:
Base-Base interactions energy: -623.632
where: short stacking energy: -289.347
Base-Backbone interact. energy: -0.548
local terms energy: -304.644326
where:
bonds (distance) C4'-P energy: -65.461
bonds (distance) P-C4' energy: -65.827
flat angles C4'-P-C4' energy: -67.932
flat angles P-C4'-P energy: -41.708
tors. eta vs tors. theta energy: -63.716
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: 2
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -859.160325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.160325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.160325 (E_RNA)
where:
Base-Base interactions energy: -571.135
where: short stacking energy: -250.946
Base-Backbone interact. energy: -0.469
local terms energy: -287.555574
where:
bonds (distance) C4'-P energy: -66.499
bonds (distance) P-C4' energy: -61.178
flat angles C4'-P-C4' energy: -63.439
flat angles P-C4'-P energy: -39.666
tors. eta vs tors. theta energy: -56.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -801.249300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.249300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.249300 (E_RNA)
where:
Base-Base interactions energy: -498.657
where: short stacking energy: -241.137
Base-Backbone interact. energy: -1.119
local terms energy: -301.473127
where:
bonds (distance) C4'-P energy: -55.184
bonds (distance) P-C4' energy: -65.432
flat angles C4'-P-C4' energy: -59.736
flat angles P-C4'-P energy: -51.524
tors. eta vs tors. theta energy: -69.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -773.202880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.202880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.202880 (E_RNA)
where:
Base-Base interactions energy: -501.270
where: short stacking energy: -209.139
Base-Backbone interact. energy: 2.216
local terms energy: -274.148612
where:
bonds (distance) C4'-P energy: -62.058
bonds (distance) P-C4' energy: -62.181
flat angles C4'-P-C4' energy: -69.748
flat angles P-C4'-P energy: -41.042
tors. eta vs tors. theta energy: -39.120
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: 3
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -802.927035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.927035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.927035 (E_RNA)
where:
Base-Base interactions energy: -519.485
where: short stacking energy: -232.011
Base-Backbone interact. energy: -1.352
local terms energy: -282.090152
where:
bonds (distance) C4'-P energy: -67.514
bonds (distance) P-C4' energy: -66.379
flat angles C4'-P-C4' energy: -62.174
flat angles P-C4'-P energy: -38.916
tors. eta vs tors. theta energy: -47.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -633.488773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.488773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.488773 (E_RNA)
where:
Base-Base interactions energy: -410.236
where: short stacking energy: -175.726
Base-Backbone interact. energy: 0.139
local terms energy: -223.391107
where:
bonds (distance) C4'-P energy: -50.367
bonds (distance) P-C4' energy: -61.487
flat angles C4'-P-C4' energy: -54.016
flat angles P-C4'-P energy: -22.914
tors. eta vs tors. theta energy: -34.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -391.021146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.021146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.021146 (E_RNA)
where:
Base-Base interactions energy: -192.100
where: short stacking energy: -131.839
Base-Backbone interact. energy: 1.138
local terms energy: -200.059186
where:
bonds (distance) C4'-P energy: -63.567
bonds (distance) P-C4' energy: -60.188
flat angles C4'-P-C4' energy: -42.950
flat angles P-C4'-P energy: -35.783
tors. eta vs tors. theta energy: 2.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -364.196685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.196685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.196685 (E_RNA)
where:
Base-Base interactions energy: -161.009
where: short stacking energy: -114.648
Base-Backbone interact. energy: -0.599
local terms energy: -202.589385
where:
bonds (distance) C4'-P energy: -50.668
bonds (distance) P-C4' energy: -55.999
flat angles C4'-P-C4' energy: -53.976
flat angles P-C4'-P energy: -29.692
tors. eta vs tors. theta energy: -12.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -1067.371135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.371135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.371135 (E_RNA)
where:
Base-Base interactions energy: -718.521
where: short stacking energy: -338.333
Base-Backbone interact. energy: 2.587
local terms energy: -351.437147
where:
bonds (distance) C4'-P energy: -66.920
bonds (distance) P-C4' energy: -63.878
flat angles C4'-P-C4' energy: -73.474
flat angles P-C4'-P energy: -58.803
tors. eta vs tors. theta energy: -88.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -1027.339729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.339729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.339729 (E_RNA)
where:
Base-Base interactions energy: -706.051
where: short stacking energy: -330.374
Base-Backbone interact. energy: -0.896
local terms energy: -320.393192
where:
bonds (distance) C4'-P energy: -57.399
bonds (distance) P-C4' energy: -63.152
flat angles C4'-P-C4' energy: -69.800
flat angles P-C4'-P energy: -48.658
tors. eta vs tors. theta energy: -81.384
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: 4
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -925.045669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.045669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.045669 (E_RNA)
where:
Base-Base interactions energy: -616.571
where: short stacking energy: -281.167
Base-Backbone interact. energy: -1.418
local terms energy: -307.056344
where:
bonds (distance) C4'-P energy: -60.765
bonds (distance) P-C4' energy: -67.974
flat angles C4'-P-C4' energy: -71.585
flat angles P-C4'-P energy: -42.754
tors. eta vs tors. theta energy: -63.977
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: 2
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -875.084551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.084551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.084551 (E_RNA)
where:
Base-Base interactions energy: -579.963
where: short stacking energy: -260.381
Base-Backbone interact. energy: 0.657
local terms energy: -295.778649
where:
bonds (distance) C4'-P energy: -62.760
bonds (distance) P-C4' energy: -62.173
flat angles C4'-P-C4' energy: -68.103
flat angles P-C4'-P energy: -36.865
tors. eta vs tors. theta energy: -65.877
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: 8
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -806.559562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.559562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.559562 (E_RNA)
where:
Base-Base interactions energy: -531.637
where: short stacking energy: -234.781
Base-Backbone interact. energy: -0.407
local terms energy: -274.515418
where:
bonds (distance) C4'-P energy: -63.388
bonds (distance) P-C4' energy: -48.474
flat angles C4'-P-C4' energy: -62.713
flat angles P-C4'-P energy: -48.641
tors. eta vs tors. theta energy: -51.299
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: 10
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -732.606542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.606542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.606542 (E_RNA)
where:
Base-Base interactions energy: -450.076
where: short stacking energy: -222.528
Base-Backbone interact. energy: -1.006
local terms energy: -281.524906
where:
bonds (distance) C4'-P energy: -53.717
bonds (distance) P-C4' energy: -69.236
flat angles C4'-P-C4' energy: -60.718
flat angles P-C4'-P energy: -45.253
tors. eta vs tors. theta energy: -52.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -758.230131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.230131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.230131 (E_RNA)
where:
Base-Base interactions energy: -495.077
where: short stacking energy: -213.391
Base-Backbone interact. energy: -0.695
local terms energy: -262.457624
where:
bonds (distance) C4'-P energy: -52.789
bonds (distance) P-C4' energy: -62.317
flat angles C4'-P-C4' energy: -61.230
flat angles P-C4'-P energy: -42.593
tors. eta vs tors. theta energy: -43.530
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: 6
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -614.784427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.784427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.784427 (E_RNA)
where:
Base-Base interactions energy: -366.018
where: short stacking energy: -162.556
Base-Backbone interact. energy: -0.471
local terms energy: -248.295702
where:
bonds (distance) C4'-P energy: -62.044
bonds (distance) P-C4' energy: -64.977
flat angles C4'-P-C4' energy: -47.887
flat angles P-C4'-P energy: -38.209
tors. eta vs tors. theta energy: -35.178
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: 9, replica: 5
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -359.498001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.498001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.498001 (E_RNA)
where:
Base-Base interactions energy: -186.998
where: short stacking energy: -109.347
Base-Backbone interact. energy: -3.312
local terms energy: -169.188194
where:
bonds (distance) C4'-P energy: -50.277
bonds (distance) P-C4' energy: -43.446
flat angles C4'-P-C4' energy: -55.973
flat angles P-C4'-P energy: -13.183
tors. eta vs tors. theta energy: -6.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -339.582949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.582949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.582949 (E_RNA)
where:
Base-Base interactions energy: -130.139
where: short stacking energy: -87.908
Base-Backbone interact. energy: 1.174
local terms energy: -210.617815
where:
bonds (distance) C4'-P energy: -54.487
bonds (distance) P-C4' energy: -67.911
flat angles C4'-P-C4' energy: -48.471
flat angles P-C4'-P energy: -33.105
tors. eta vs tors. theta energy: -6.644
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: 1
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -1072.841471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.841471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.841471 (E_RNA)
where:
Base-Base interactions energy: -728.602
where: short stacking energy: -329.211
Base-Backbone interact. energy: -1.740
local terms energy: -342.500074
where:
bonds (distance) C4'-P energy: -65.360
bonds (distance) P-C4' energy: -60.478
flat angles C4'-P-C4' energy: -76.170
flat angles P-C4'-P energy: -49.868
tors. eta vs tors. theta energy: -90.624
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: 9
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -1026.291208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.291208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.291208 (E_RNA)
where:
Base-Base interactions energy: -683.244
where: short stacking energy: -342.142
Base-Backbone interact. energy: 0.208
local terms energy: -343.255562
where:
bonds (distance) C4'-P energy: -56.091
bonds (distance) P-C4' energy: -64.742
flat angles C4'-P-C4' energy: -71.196
flat angles P-C4'-P energy: -52.645
tors. eta vs tors. theta energy: -98.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -924.317231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.317231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.317231 (E_RNA)
where:
Base-Base interactions energy: -613.829
where: short stacking energy: -292.432
Base-Backbone interact. energy: -0.517
local terms energy: -309.970653
where:
bonds (distance) C4'-P energy: -61.732
bonds (distance) P-C4' energy: -60.837
flat angles C4'-P-C4' energy: -69.825
flat angles P-C4'-P energy: -33.051
tors. eta vs tors. theta energy: -84.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -901.740139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.740139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.740139 (E_RNA)
where:
Base-Base interactions energy: -594.683
where: short stacking energy: -278.201
Base-Backbone interact. energy: -2.356
local terms energy: -304.700653
where:
bonds (distance) C4'-P energy: -55.551
bonds (distance) P-C4' energy: -62.824
flat angles C4'-P-C4' energy: -64.515
flat angles P-C4'-P energy: -45.351
tors. eta vs tors. theta energy: -76.460
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: 5, replica: 8
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -829.970090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.970090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.970090 (E_RNA)
where:
Base-Base interactions energy: -550.740
where: short stacking energy: -233.027
Base-Backbone interact. energy: -2.467
local terms energy: -276.762933
where:
bonds (distance) C4'-P energy: -53.526
bonds (distance) P-C4' energy: -61.947
flat angles C4'-P-C4' energy: -67.277
flat angles P-C4'-P energy: -45.370
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: 6, replica: 10
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -756.400080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.400080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.400080 (E_RNA)
where:
Base-Base interactions energy: -477.795
where: short stacking energy: -240.538
Base-Backbone interact. energy: -0.918
local terms energy: -277.686458
where:
bonds (distance) C4'-P energy: -50.111
bonds (distance) P-C4' energy: -60.387
flat angles C4'-P-C4' energy: -64.458
flat angles P-C4'-P energy: -38.836
tors. eta vs tors. theta energy: -63.895
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: 3
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -740.953607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.953607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.953607 (E_RNA)
where:
Base-Base interactions energy: -483.903
where: short stacking energy: -221.007
Base-Backbone interact. energy: -1.425
local terms energy: -255.626017
where:
bonds (distance) C4'-P energy: -38.439
bonds (distance) P-C4' energy: -54.187
flat angles C4'-P-C4' energy: -66.281
flat angles P-C4'-P energy: -50.701
tors. eta vs tors. theta energy: -46.018
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: 6
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -613.249171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.249171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.249171 (E_RNA)
where:
Base-Base interactions energy: -361.716
where: short stacking energy: -156.514
Base-Backbone interact. energy: -0.039
local terms energy: -251.493954
where:
bonds (distance) C4'-P energy: -57.355
bonds (distance) P-C4' energy: -62.474
flat angles C4'-P-C4' energy: -50.930
flat angles P-C4'-P energy: -48.066
tors. eta vs tors. theta energy: -32.670
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: 9, replica: 5
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -353.659727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.659727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.659727 (E_RNA)
where:
Base-Base interactions energy: -150.299
where: short stacking energy: -91.887
Base-Backbone interact. energy: 0.396
local terms energy: -203.756229
where:
bonds (distance) C4'-P energy: -46.918
bonds (distance) P-C4' energy: -69.591
flat angles C4'-P-C4' energy: -43.119
flat angles P-C4'-P energy: -41.151
tors. eta vs tors. theta energy: -2.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -320.963939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.963939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.963939 (E_RNA)
where:
Base-Base interactions energy: -153.972
where: short stacking energy: -101.583
Base-Backbone interact. energy: 1.141
local terms energy: -168.132556
where:
bonds (distance) C4'-P energy: -56.787
bonds (distance) P-C4' energy: -53.063
flat angles C4'-P-C4' energy: -36.282
flat angles P-C4'-P energy: -22.070
tors. eta vs tors. theta energy: 0.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -1060.594636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.594636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.594636 (E_RNA)
where:
Base-Base interactions energy: -709.766
where: short stacking energy: -308.238
Base-Backbone interact. energy: -1.056
local terms energy: -349.772150
where:
bonds (distance) C4'-P energy: -70.074
bonds (distance) P-C4' energy: -72.787
flat angles C4'-P-C4' energy: -74.341
flat angles P-C4'-P energy: -50.723
tors. eta vs tors. theta energy: -81.847
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: 9
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -1022.912799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.912799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.912799 (E_RNA)
where:
Base-Base interactions energy: -695.811
where: short stacking energy: -327.722
Base-Backbone interact. energy: -1.707
local terms energy: -325.395435
where:
bonds (distance) C4'-P energy: -62.103
bonds (distance) P-C4' energy: -55.455
flat angles C4'-P-C4' energy: -67.205
flat angles P-C4'-P energy: -52.254
tors. eta vs tors. theta energy: -88.379
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: 4
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -944.653892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.653892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.653892 (E_RNA)
where:
Base-Base interactions energy: -634.434
where: short stacking energy: -286.121
Base-Backbone interact. energy: -2.475
local terms energy: -307.744891
where:
bonds (distance) C4'-P energy: -53.055
bonds (distance) P-C4' energy: -69.310
flat angles C4'-P-C4' energy: -72.716
flat angles P-C4'-P energy: -38.123
tors. eta vs tors. theta energy: -74.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -908.695717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.695717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.695717 (E_RNA)
where:
Base-Base interactions energy: -599.441
where: short stacking energy: -295.770
Base-Backbone interact. energy: -4.117
local terms energy: -305.138524
where:
bonds (distance) C4'-P energy: -55.963
bonds (distance) P-C4' energy: -69.325
flat angles C4'-P-C4' energy: -69.357
flat angles P-C4'-P energy: -42.805
tors. eta vs tors. theta energy: -67.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -872.346822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.346822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.346822 (E_RNA)
where:
Base-Base interactions energy: -597.449
where: short stacking energy: -256.775
Base-Backbone interact. energy: -1.635
local terms energy: -273.263253
where:
bonds (distance) C4'-P energy: -46.994
bonds (distance) P-C4' energy: -57.883
flat angles C4'-P-C4' energy: -67.321
flat angles P-C4'-P energy: -41.676
tors. eta vs tors. theta energy: -59.388
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: 10
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -744.191174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.191174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.191174 (E_RNA)
where:
Base-Base interactions energy: -480.333
where: short stacking energy: -229.478
Base-Backbone interact. energy: -0.309
local terms energy: -263.549189
where:
bonds (distance) C4'-P energy: -54.959
bonds (distance) P-C4' energy: -59.927
flat angles C4'-P-C4' energy: -56.509
flat angles P-C4'-P energy: -36.494
tors. eta vs tors. theta energy: -55.661
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: 3
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -726.519681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.519681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.519681 (E_RNA)
where:
Base-Base interactions energy: -474.208
where: short stacking energy: -220.727
Base-Backbone interact. energy: 0.098
local terms energy: -252.410137
where:
bonds (distance) C4'-P energy: -51.421
bonds (distance) P-C4' energy: -57.495
flat angles C4'-P-C4' energy: -60.663
flat angles P-C4'-P energy: -36.780
tors. eta vs tors. theta energy: -46.052
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: 6
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -624.874209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.874209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.874209 (E_RNA)
where:
Base-Base interactions energy: -385.758
where: short stacking energy: -177.509
Base-Backbone interact. energy: -2.249
local terms energy: -236.867157
where:
bonds (distance) C4'-P energy: -57.796
bonds (distance) P-C4' energy: -50.139
flat angles C4'-P-C4' energy: -65.282
flat angles P-C4'-P energy: -36.291
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: 9, replica: 5
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -401.350384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.350384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.350384 (E_RNA)
where:
Base-Base interactions energy: -216.834
where: short stacking energy: -137.539
Base-Backbone interact. energy: -1.133
local terms energy: -183.383472
where:
bonds (distance) C4'-P energy: -51.822
bonds (distance) P-C4' energy: -42.910
flat angles C4'-P-C4' energy: -42.408
flat angles P-C4'-P energy: -26.213
tors. eta vs tors. theta energy: -20.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -288.485095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.485095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.485095 (E_RNA)
where:
Base-Base interactions energy: -104.801
where: short stacking energy: -99.513
Base-Backbone interact. energy: 1.308
local terms energy: -184.992156
where:
bonds (distance) C4'-P energy: -56.089
bonds (distance) P-C4' energy: -60.895
flat angles C4'-P-C4' energy: -42.899
flat angles P-C4'-P energy: -22.742
tors. eta vs tors. theta energy: -2.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -1077.618970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.618970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.618970 (E_RNA)
where:
Base-Base interactions energy: -743.745
where: short stacking energy: -329.866
Base-Backbone interact. energy: -1.675
local terms energy: -332.198974
where:
bonds (distance) C4'-P energy: -61.031
bonds (distance) P-C4' energy: -64.102
flat angles C4'-P-C4' energy: -73.780
flat angles P-C4'-P energy: -38.750
tors. eta vs tors. theta energy: -94.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -1010.822120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.822120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.822120 (E_RNA)
where:
Base-Base interactions energy: -680.095
where: short stacking energy: -306.849
Base-Backbone interact. energy: -1.849
local terms energy: -328.877861
where:
bonds (distance) C4'-P energy: -64.688
bonds (distance) P-C4' energy: -67.688
flat angles C4'-P-C4' energy: -70.284
flat angles P-C4'-P energy: -42.233
tors. eta vs tors. theta energy: -83.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -924.237371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.237371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.237371 (E_RNA)
where:
Base-Base interactions energy: -627.502
where: short stacking energy: -298.110
Base-Backbone interact. energy: -0.206
local terms energy: -296.529482
where:
bonds (distance) C4'-P energy: -57.260
bonds (distance) P-C4' energy: -56.909
flat angles C4'-P-C4' energy: -64.227
flat angles P-C4'-P energy: -40.239
tors. eta vs tors. theta energy: -77.894
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: 4, replica: 2
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -919.963862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.963862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.963862 (E_RNA)
where:
Base-Base interactions energy: -599.911
where: short stacking energy: -281.863
Base-Backbone interact. energy: 3.413
local terms energy: -323.466329
where:
bonds (distance) C4'-P energy: -67.471
bonds (distance) P-C4' energy: -66.817
flat angles C4'-P-C4' energy: -71.379
flat angles P-C4'-P energy: -48.482
tors. eta vs tors. theta energy: -69.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -807.275695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.275695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.275695 (E_RNA)
where:
Base-Base interactions energy: -550.003
where: short stacking energy: -249.550
Base-Backbone interact. energy: -1.247
local terms energy: -256.025679
where:
bonds (distance) C4'-P energy: -59.245
bonds (distance) P-C4' energy: -59.827
flat angles C4'-P-C4' energy: -60.021
flat angles P-C4'-P energy: -22.522
tors. eta vs tors. theta energy: -54.411
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: 10
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -728.053464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.053464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.053464 (E_RNA)
where:
Base-Base interactions energy: -473.400
where: short stacking energy: -226.512
Base-Backbone interact. energy: 0.307
local terms energy: -254.960903
where:
bonds (distance) C4'-P energy: -59.103
bonds (distance) P-C4' energy: -56.220
flat angles C4'-P-C4' energy: -49.574
flat angles P-C4'-P energy: -35.091
tors. eta vs tors. theta energy: -54.973
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: 3
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -692.010854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.010854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.010854 (E_RNA)
where:
Base-Base interactions energy: -423.581
where: short stacking energy: -210.775
Base-Backbone interact. energy: -1.324
local terms energy: -267.106694
where:
bonds (distance) C4'-P energy: -46.324
bonds (distance) P-C4' energy: -60.106
flat angles C4'-P-C4' energy: -62.475
flat angles P-C4'-P energy: -43.798
tors. eta vs tors. theta energy: -54.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -611.277303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.277303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.277303 (E_RNA)
where:
Base-Base interactions energy: -381.669
where: short stacking energy: -155.565
Base-Backbone interact. energy: -0.845
local terms energy: -228.764244
where:
bonds (distance) C4'-P energy: -50.498
bonds (distance) P-C4' energy: -63.069
flat angles C4'-P-C4' energy: -61.827
flat angles P-C4'-P energy: -26.352
tors. eta vs tors. theta energy: -27.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -437.617149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.617149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.617149 (E_RNA)
where:
Base-Base interactions energy: -220.405
where: short stacking energy: -117.994
Base-Backbone interact. energy: 2.215
local terms energy: -219.427971
where:
bonds (distance) C4'-P energy: -64.373
bonds (distance) P-C4' energy: -61.735
flat angles C4'-P-C4' energy: -49.277
flat angles P-C4'-P energy: -29.362
tors. eta vs tors. theta energy: -14.680
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: 10, replica: 7
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -313.568169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.568169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.568169 (E_RNA)
where:
Base-Base interactions energy: -135.762
where: short stacking energy: -83.171
Base-Backbone interact. energy: -1.155
local terms energy: -176.651116
where:
bonds (distance) C4'-P energy: -55.279
bonds (distance) P-C4' energy: -63.422
flat angles C4'-P-C4' energy: -48.553
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: 2.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -1096.510612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.510612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.510612 (E_RNA)
where:
Base-Base interactions energy: -738.914
where: short stacking energy: -324.383
Base-Backbone interact. energy: -1.320
local terms energy: -356.276312
where:
bonds (distance) C4'-P energy: -69.806
bonds (distance) P-C4' energy: -72.190
flat angles C4'-P-C4' energy: -72.674
flat angles P-C4'-P energy: -48.647
tors. eta vs tors. theta energy: -92.959
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: 9
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -984.992193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.992193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.992193 (E_RNA)
where:
Base-Base interactions energy: -650.651
where: short stacking energy: -288.728
Base-Backbone interact. energy: 0.922
local terms energy: -335.263349
where:
bonds (distance) C4'-P energy: -64.936
bonds (distance) P-C4' energy: -68.433
flat angles C4'-P-C4' energy: -69.751
flat angles P-C4'-P energy: -52.633
tors. eta vs tors. theta energy: -79.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -920.410763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.410763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.410763 (E_RNA)
where:
Base-Base interactions energy: -606.467
where: short stacking energy: -264.112
Base-Backbone interact. energy: -1.069
local terms energy: -312.874239
where:
bonds (distance) C4'-P energy: -59.825
bonds (distance) P-C4' energy: -71.899
flat angles C4'-P-C4' energy: -73.195
flat angles P-C4'-P energy: -41.445
tors. eta vs tors. theta energy: -66.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -886.824795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.824795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.824795 (E_RNA)
where:
Base-Base interactions energy: -586.442
where: short stacking energy: -276.433
Base-Backbone interact. energy: 3.035
local terms energy: -303.417338
where:
bonds (distance) C4'-P energy: -57.641
bonds (distance) P-C4' energy: -71.971
flat angles C4'-P-C4' energy: -67.505
flat angles P-C4'-P energy: -38.704
tors. eta vs tors. theta energy: -67.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -833.065913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.065913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.065913 (E_RNA)
where:
Base-Base interactions energy: -558.984
where: short stacking energy: -239.941
Base-Backbone interact. energy: -0.850
local terms energy: -273.231631
where:
bonds (distance) C4'-P energy: -58.002
bonds (distance) P-C4' energy: -55.621
flat angles C4'-P-C4' energy: -67.340
flat angles P-C4'-P energy: -39.060
tors. eta vs tors. theta energy: -53.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -752.340219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.340219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.340219 (E_RNA)
where:
Base-Base interactions energy: -483.507
where: short stacking energy: -230.439
Base-Backbone interact. energy: -1.828
local terms energy: -267.004763
where:
bonds (distance) C4'-P energy: -48.581
bonds (distance) P-C4' energy: -69.230
flat angles C4'-P-C4' energy: -63.954
flat angles P-C4'-P energy: -36.786
tors. eta vs tors. theta energy: -48.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -715.833075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.833075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.833075 (E_RNA)
where:
Base-Base interactions energy: -457.394
where: short stacking energy: -199.284
Base-Backbone interact. energy: -0.895
local terms energy: -257.543699
where:
bonds (distance) C4'-P energy: -53.724
bonds (distance) P-C4' energy: -52.196
flat angles C4'-P-C4' energy: -59.865
flat angles P-C4'-P energy: -44.398
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: 8, replica: 6
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -593.193507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.193507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.193507 (E_RNA)
where:
Base-Base interactions energy: -377.148
where: short stacking energy: -146.323
Base-Backbone interact. energy: -1.524
local terms energy: -214.521275
where:
bonds (distance) C4'-P energy: -54.146
bonds (distance) P-C4' energy: -56.672
flat angles C4'-P-C4' energy: -51.051
flat angles P-C4'-P energy: -41.786
tors. eta vs tors. theta energy: -10.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -465.897605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.897605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.897605 (E_RNA)
where:
Base-Base interactions energy: -272.733
where: short stacking energy: -128.005
Base-Backbone interact. energy: 2.475
local terms energy: -195.639503
where:
bonds (distance) C4'-P energy: -55.473
bonds (distance) P-C4' energy: -58.933
flat angles C4'-P-C4' energy: -53.102
flat angles P-C4'-P energy: -14.218
tors. eta vs tors. theta energy: -13.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -296.431684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.431684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.431684 (E_RNA)
where:
Base-Base interactions energy: -100.368
where: short stacking energy: -61.454
Base-Backbone interact. energy: 0.848
local terms energy: -196.911911
where:
bonds (distance) C4'-P energy: -64.184
bonds (distance) P-C4' energy: -60.389
flat angles C4'-P-C4' energy: -54.283
flat angles P-C4'-P energy: -30.250
tors. eta vs tors. theta energy: 12.194
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: 1
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -1073.398615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.398615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.398615 (E_RNA)
where:
Base-Base interactions energy: -736.821
where: short stacking energy: -329.042
Base-Backbone interact. energy: -2.059
local terms energy: -334.519485
where:
bonds (distance) C4'-P energy: -61.049
bonds (distance) P-C4' energy: -67.800
flat angles C4'-P-C4' energy: -72.328
flat angles P-C4'-P energy: -43.663
tors. eta vs tors. theta energy: -89.679
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: 9
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -981.923390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.923390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.923390 (E_RNA)
where:
Base-Base interactions energy: -638.991
where: short stacking energy: -306.535
Base-Backbone interact. energy: -2.024
local terms energy: -340.908191
where:
bonds (distance) C4'-P energy: -63.882
bonds (distance) P-C4' energy: -70.106
flat angles C4'-P-C4' energy: -72.919
flat angles P-C4'-P energy: -47.466
tors. eta vs tors. theta energy: -86.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -900.130030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.130030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.130030 (E_RNA)
where:
Base-Base interactions energy: -605.387
where: short stacking energy: -257.089
Base-Backbone interact. energy: -0.899
local terms energy: -293.843631
where:
bonds (distance) C4'-P energy: -62.554
bonds (distance) P-C4' energy: -60.799
flat angles C4'-P-C4' energy: -64.905
flat angles P-C4'-P energy: -34.313
tors. eta vs tors. theta energy: -71.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -845.690665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.690665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.690665 (E_RNA)
where:
Base-Base interactions energy: -555.480
where: short stacking energy: -250.188
Base-Backbone interact. energy: -1.555
local terms energy: -288.655505
where:
bonds (distance) C4'-P energy: -57.528
bonds (distance) P-C4' energy: -58.956
flat angles C4'-P-C4' energy: -67.830
flat angles P-C4'-P energy: -44.689
tors. eta vs tors. theta energy: -59.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -830.696677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.696677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.696677 (E_RNA)
where:
Base-Base interactions energy: -531.227
where: short stacking energy: -242.270
Base-Backbone interact. energy: 1.526
local terms energy: -300.996050
where:
bonds (distance) C4'-P energy: -62.470
bonds (distance) P-C4' energy: -58.451
flat angles C4'-P-C4' energy: -73.895
flat angles P-C4'-P energy: -42.960
tors. eta vs tors. theta energy: -63.220
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: 63
Temperature: 1.150000
Total energy: -758.098277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.098277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.098277 (E_RNA)
where:
Base-Base interactions energy: -496.159
where: short stacking energy: -221.399
Base-Backbone interact. energy: -0.935
local terms energy: -261.004030
where:
bonds (distance) C4'-P energy: -63.282
bonds (distance) P-C4' energy: -52.523
flat angles C4'-P-C4' energy: -62.499
flat angles P-C4'-P energy: -34.780
tors. eta vs tors. theta energy: -47.920
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: 10
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -734.250773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.250773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.250773 (E_RNA)
where:
Base-Base interactions energy: -483.705
where: short stacking energy: -224.501
Base-Backbone interact. energy: -0.325
local terms energy: -250.221518
where:
bonds (distance) C4'-P energy: -59.040
bonds (distance) P-C4' energy: -51.455
flat angles C4'-P-C4' energy: -57.377
flat angles P-C4'-P energy: -37.724
tors. eta vs tors. theta energy: -44.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -583.903410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.903410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.903410 (E_RNA)
where:
Base-Base interactions energy: -355.210
where: short stacking energy: -161.828
Base-Backbone interact. energy: -3.511
local terms energy: -225.181869
where:
bonds (distance) C4'-P energy: -50.265
bonds (distance) P-C4' energy: -56.127
flat angles C4'-P-C4' energy: -47.902
flat angles P-C4'-P energy: -39.248
tors. eta vs tors. theta energy: -31.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -357.412036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.412036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.412036 (E_RNA)
where:
Base-Base interactions energy: -175.051
where: short stacking energy: -121.041
Base-Backbone interact. energy: 0.482
local terms energy: -182.842457
where:
bonds (distance) C4'-P energy: -59.297
bonds (distance) P-C4' energy: -53.295
flat angles C4'-P-C4' energy: -47.241
flat angles P-C4'-P energy: -20.039
tors. eta vs tors. theta energy: -2.971
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: 7
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -284.005126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.005126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.005126 (E_RNA)
where:
Base-Base interactions energy: -98.946
where: short stacking energy: -63.095
Base-Backbone interact. energy: 1.021
local terms energy: -186.079884
where:
bonds (distance) C4'-P energy: -52.791
bonds (distance) P-C4' energy: -59.468
flat angles C4'-P-C4' energy: -42.950
flat angles P-C4'-P energy: -39.581
tors. eta vs tors. theta energy: 8.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -1079.217599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.217599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.217599 (E_RNA)
where:
Base-Base interactions energy: -731.330
where: short stacking energy: -328.291
Base-Backbone interact. energy: -1.846
local terms energy: -346.041614
where:
bonds (distance) C4'-P energy: -65.763
bonds (distance) P-C4' energy: -70.463
flat angles C4'-P-C4' energy: -68.429
flat angles P-C4'-P energy: -46.636
tors. eta vs tors. theta energy: -94.750
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: 9
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -985.917961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.917961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.917961 (E_RNA)
where:
Base-Base interactions energy: -670.669
where: short stacking energy: -314.876
Base-Backbone interact. energy: -1.085
local terms energy: -314.164258
where:
bonds (distance) C4'-P energy: -54.204
bonds (distance) P-C4' energy: -59.293
flat angles C4'-P-C4' energy: -72.979
flat angles P-C4'-P energy: -38.543
tors. eta vs tors. theta energy: -89.146
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: 3, replica: 4
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -937.171426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.171426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.171426 (E_RNA)
where:
Base-Base interactions energy: -619.194
where: short stacking energy: -280.325
Base-Backbone interact. energy: -1.881
local terms energy: -316.096243
where:
bonds (distance) C4'-P energy: -54.008
bonds (distance) P-C4' energy: -70.475
flat angles C4'-P-C4' energy: -72.217
flat angles P-C4'-P energy: -41.426
tors. eta vs tors. theta energy: -77.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -846.628196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.628196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.628196 (E_RNA)
where:
Base-Base interactions energy: -569.341
where: short stacking energy: -253.976
Base-Backbone interact. energy: -2.212
local terms energy: -275.074989
where:
bonds (distance) C4'-P energy: -55.524
bonds (distance) P-C4' energy: -59.877
flat angles C4'-P-C4' energy: -72.395
flat angles P-C4'-P energy: -41.247
tors. eta vs tors. theta energy: -46.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -838.400852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.400852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.400852 (E_RNA)
where:
Base-Base interactions energy: -564.703
where: short stacking energy: -249.138
Base-Backbone interact. energy: -1.668
local terms energy: -272.029022
where:
bonds (distance) C4'-P energy: -55.752
bonds (distance) P-C4' energy: -64.890
flat angles C4'-P-C4' energy: -67.002
flat angles P-C4'-P energy: -23.891
tors. eta vs tors. theta energy: -60.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -834.716966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.716966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.716966 (E_RNA)
where:
Base-Base interactions energy: -568.743
where: short stacking energy: -263.989
Base-Backbone interact. energy: 3.447
local terms energy: -269.421528
where:
bonds (distance) C4'-P energy: -59.531
bonds (distance) P-C4' energy: -62.316
flat angles C4'-P-C4' energy: -58.616
flat angles P-C4'-P energy: -36.421
tors. eta vs tors. theta energy: -52.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -725.280752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.280752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.280752 (E_RNA)
where:
Base-Base interactions energy: -472.671
where: short stacking energy: -194.753
Base-Backbone interact. energy: -1.627
local terms energy: -250.982706
where:
bonds (distance) C4'-P energy: -62.248
bonds (distance) P-C4' energy: -60.150
flat angles C4'-P-C4' energy: -64.432
flat angles P-C4'-P energy: -24.730
tors. eta vs tors. theta energy: -39.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -599.371928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.371928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.371928 (E_RNA)
where:
Base-Base interactions energy: -375.773
where: short stacking energy: -177.757
Base-Backbone interact. energy: -0.723
local terms energy: -222.875946
where:
bonds (distance) C4'-P energy: -50.732
bonds (distance) P-C4' energy: -48.552
flat angles C4'-P-C4' energy: -52.505
flat angles P-C4'-P energy: -41.036
tors. eta vs tors. theta energy: -30.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -412.105609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.105609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.105609 (E_RNA)
where:
Base-Base interactions energy: -214.022
where: short stacking energy: -124.373
Base-Backbone interact. energy: -2.507
local terms energy: -195.576055
where:
bonds (distance) C4'-P energy: -44.544
bonds (distance) P-C4' energy: -52.992
flat angles C4'-P-C4' energy: -57.768
flat angles P-C4'-P energy: -27.706
tors. eta vs tors. theta energy: -12.566
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: 7
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -286.299040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.299040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.299040 (E_RNA)
where:
Base-Base interactions energy: -111.875
where: short stacking energy: -88.579
Base-Backbone interact. energy: -1.441
local terms energy: -172.983364
where:
bonds (distance) C4'-P energy: -52.917
bonds (distance) P-C4' energy: -42.179
flat angles C4'-P-C4' energy: -59.087
flat angles P-C4'-P energy: -24.794
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: 1
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -1083.471905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.471905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.471905 (E_RNA)
where:
Base-Base interactions energy: -731.680
where: short stacking energy: -328.953
Base-Backbone interact. energy: -0.448
local terms energy: -351.343806
where:
bonds (distance) C4'-P energy: -65.732
bonds (distance) P-C4' energy: -71.329
flat angles C4'-P-C4' energy: -72.765
flat angles P-C4'-P energy: -47.481
tors. eta vs tors. theta energy: -94.036
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: 2, replica: 9
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -1000.774148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.774148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.774148 (E_RNA)
where:
Base-Base interactions energy: -679.083
where: short stacking energy: -312.236
Base-Backbone interact. energy: 3.906
local terms energy: -325.597748
where:
bonds (distance) C4'-P energy: -59.166
bonds (distance) P-C4' energy: -58.916
flat angles C4'-P-C4' energy: -66.528
flat angles P-C4'-P energy: -54.822
tors. eta vs tors. theta energy: -86.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -957.417454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.417454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.417454 (E_RNA)
where:
Base-Base interactions energy: -657.402
where: short stacking energy: -304.953
Base-Backbone interact. energy: 3.298
local terms energy: -303.313748
where:
bonds (distance) C4'-P energy: -65.453
bonds (distance) P-C4' energy: -47.099
flat angles C4'-P-C4' energy: -71.990
flat angles P-C4'-P energy: -37.973
tors. eta vs tors. theta energy: -80.799
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: 3
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -869.361080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.361080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.361080 (E_RNA)
where:
Base-Base interactions energy: -570.116
where: short stacking energy: -260.495
Base-Backbone interact. energy: -2.392
local terms energy: -296.852478
where:
bonds (distance) C4'-P energy: -56.853
bonds (distance) P-C4' energy: -70.229
flat angles C4'-P-C4' energy: -64.236
flat angles P-C4'-P energy: -39.984
tors. eta vs tors. theta energy: -65.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -835.274298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.274298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.274298 (E_RNA)
where:
Base-Base interactions energy: -550.750
where: short stacking energy: -257.836
Base-Backbone interact. energy: 0.177
local terms energy: -284.700873
where:
bonds (distance) C4'-P energy: -56.104
bonds (distance) P-C4' energy: -58.023
flat angles C4'-P-C4' energy: -66.065
flat angles P-C4'-P energy: -44.125
tors. eta vs tors. theta energy: -60.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -793.814585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.814585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.814585 (E_RNA)
where:
Base-Base interactions energy: -508.384
where: short stacking energy: -223.027
Base-Backbone interact. energy: -2.031
local terms energy: -283.400034
where:
bonds (distance) C4'-P energy: -70.894
bonds (distance) P-C4' energy: -60.553
flat angles C4'-P-C4' energy: -61.905
flat angles P-C4'-P energy: -38.008
tors. eta vs tors. theta energy: -52.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -686.802105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.802105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.802105 (E_RNA)
where:
Base-Base interactions energy: -425.549
where: short stacking energy: -199.445
Base-Backbone interact. energy: -1.122
local terms energy: -260.131808
where:
bonds (distance) C4'-P energy: -54.010
bonds (distance) P-C4' energy: -68.606
flat angles C4'-P-C4' energy: -53.773
flat angles P-C4'-P energy: -42.881
tors. eta vs tors. theta energy: -40.861
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: 6
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -637.322466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.322466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.322466 (E_RNA)
where:
Base-Base interactions energy: -386.902
where: short stacking energy: -185.678
Base-Backbone interact. energy: 1.373
local terms energy: -251.794057
where:
bonds (distance) C4'-P energy: -56.211
bonds (distance) P-C4' energy: -60.879
flat angles C4'-P-C4' energy: -63.797
flat angles P-C4'-P energy: -23.997
tors. eta vs tors. theta energy: -46.909
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: 5
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -426.286992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.286992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.286992 (E_RNA)
where:
Base-Base interactions energy: -217.231
where: short stacking energy: -118.590
Base-Backbone interact. energy: -1.261
local terms energy: -207.794925
where:
bonds (distance) C4'-P energy: -54.313
bonds (distance) P-C4' energy: -59.726
flat angles C4'-P-C4' energy: -38.469
flat angles P-C4'-P energy: -34.647
tors. eta vs tors. theta energy: -20.640
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: 7
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -288.824880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.824880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.824880 (E_RNA)
where:
Base-Base interactions energy: -95.953
where: short stacking energy: -85.380
Base-Backbone interact. energy: 0.716
local terms energy: -193.587702
where:
bonds (distance) C4'-P energy: -47.175
bonds (distance) P-C4' energy: -57.722
flat angles C4'-P-C4' energy: -47.859
flat angles P-C4'-P energy: -39.686
tors. eta vs tors. theta energy: -1.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -1108.529401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.529401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.529401 (E_RNA)
where:
Base-Base interactions energy: -758.276
where: short stacking energy: -337.934
Base-Backbone interact. energy: 0.863
local terms energy: -351.117276
where:
bonds (distance) C4'-P energy: -65.815
bonds (distance) P-C4' energy: -67.705
flat angles C4'-P-C4' energy: -74.499
flat angles P-C4'-P energy: -44.894
tors. eta vs tors. theta energy: -98.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -1002.599886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.599886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.599886 (E_RNA)
where:
Base-Base interactions energy: -680.221
where: short stacking energy: -309.658
Base-Backbone interact. energy: 1.181
local terms energy: -323.559677
where:
bonds (distance) C4'-P energy: -69.020
bonds (distance) P-C4' energy: -54.244
flat angles C4'-P-C4' energy: -68.021
flat angles P-C4'-P energy: -52.635
tors. eta vs tors. theta energy: -79.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -953.373839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.373839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.373839 (E_RNA)
where:
Base-Base interactions energy: -636.885
where: short stacking energy: -285.615
Base-Backbone interact. energy: -2.332
local terms energy: -314.157019
where:
bonds (distance) C4'-P energy: -60.048
bonds (distance) P-C4' energy: -60.056
flat angles C4'-P-C4' energy: -70.015
flat angles P-C4'-P energy: -40.907
tors. eta vs tors. theta energy: -83.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -880.778595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.778595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.778595 (E_RNA)
where:
Base-Base interactions energy: -572.232
where: short stacking energy: -273.113
Base-Backbone interact. energy: -1.605
local terms energy: -306.941587
where:
bonds (distance) C4'-P energy: -53.156
bonds (distance) P-C4' energy: -65.212
flat angles C4'-P-C4' energy: -68.424
flat angles P-C4'-P energy: -50.783
tors. eta vs tors. theta energy: -69.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -827.822896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.822896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.822896 (E_RNA)
where:
Base-Base interactions energy: -544.415
where: short stacking energy: -251.188
Base-Backbone interact. energy: 1.753
local terms energy: -285.160542
where:
bonds (distance) C4'-P energy: -58.428
bonds (distance) P-C4' energy: -60.007
flat angles C4'-P-C4' energy: -70.809
flat angles P-C4'-P energy: -37.908
tors. eta vs tors. theta energy: -58.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -820.125097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.125097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.125097 (E_RNA)
where:
Base-Base interactions energy: -558.587
where: short stacking energy: -262.021
Base-Backbone interact. energy: -0.532
local terms energy: -261.005772
where:
bonds (distance) C4'-P energy: -52.709
bonds (distance) P-C4' energy: -57.413
flat angles C4'-P-C4' energy: -58.310
flat angles P-C4'-P energy: -30.499
tors. eta vs tors. theta energy: -62.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -713.766284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.766284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.766284 (E_RNA)
where:
Base-Base interactions energy: -464.913
where: short stacking energy: -205.709
Base-Backbone interact. energy: -1.830
local terms energy: -247.022768
where:
bonds (distance) C4'-P energy: -61.256
bonds (distance) P-C4' energy: -49.789
flat angles C4'-P-C4' energy: -61.955
flat angles P-C4'-P energy: -26.795
tors. eta vs tors. theta energy: -47.228
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: 6
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -600.317410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.317410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.317410 (E_RNA)
where:
Base-Base interactions energy: -369.697
where: short stacking energy: -187.773
Base-Backbone interact. energy: -1.428
local terms energy: -229.192098
where:
bonds (distance) C4'-P energy: -49.850
bonds (distance) P-C4' energy: -69.589
flat angles C4'-P-C4' energy: -49.681
flat angles P-C4'-P energy: -40.479
tors. eta vs tors. theta energy: -19.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -300.751032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.751032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.751032 (E_RNA)
where:
Base-Base interactions energy: -110.637
where: short stacking energy: -98.502
Base-Backbone interact. energy: 0.257
local terms energy: -190.371957
where:
bonds (distance) C4'-P energy: -59.052
bonds (distance) P-C4' energy: -68.074
flat angles C4'-P-C4' energy: -40.061
flat angles P-C4'-P energy: -24.856
tors. eta vs tors. theta energy: 1.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -338.534488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.534488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.534488 (E_RNA)
where:
Base-Base interactions energy: -143.723
where: short stacking energy: -105.306
Base-Backbone interact. energy: -1.433
local terms energy: -193.378243
where:
bonds (distance) C4'-P energy: -60.951
bonds (distance) P-C4' energy: -69.411
flat angles C4'-P-C4' energy: -53.353
flat angles P-C4'-P energy: -15.461
tors. eta vs tors. theta energy: 5.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -1101.299950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.299950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.299950 (E_RNA)
where:
Base-Base interactions energy: -747.409
where: short stacking energy: -342.130
Base-Backbone interact. energy: -1.079
local terms energy: -352.811432
where:
bonds (distance) C4'-P energy: -63.603
bonds (distance) P-C4' energy: -68.786
flat angles C4'-P-C4' energy: -69.734
flat angles P-C4'-P energy: -56.615
tors. eta vs tors. theta energy: -94.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -967.185135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.185135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.185135 (E_RNA)
where:
Base-Base interactions energy: -655.636
where: short stacking energy: -281.069
Base-Backbone interact. energy: -1.770
local terms energy: -309.779138
where:
bonds (distance) C4'-P energy: -56.955
bonds (distance) P-C4' energy: -66.698
flat angles C4'-P-C4' energy: -74.065
flat angles P-C4'-P energy: -43.375
tors. eta vs tors. theta energy: -68.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -976.762586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.762586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.762586 (E_RNA)
where:
Base-Base interactions energy: -648.991
where: short stacking energy: -279.996
Base-Backbone interact. energy: -2.364
local terms energy: -325.408431
where:
bonds (distance) C4'-P energy: -63.795
bonds (distance) P-C4' energy: -64.942
flat angles C4'-P-C4' energy: -71.932
flat angles P-C4'-P energy: -43.977
tors. eta vs tors. theta energy: -80.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -922.403617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.403617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.403617 (E_RNA)
where:
Base-Base interactions energy: -631.387
where: short stacking energy: -291.368
Base-Backbone interact. energy: 1.045
local terms energy: -292.062081
where:
bonds (distance) C4'-P energy: -59.611
bonds (distance) P-C4' energy: -64.248
flat angles C4'-P-C4' energy: -58.513
flat angles P-C4'-P energy: -45.387
tors. eta vs tors. theta energy: -64.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -862.987661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.987661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.987661 (E_RNA)
where:
Base-Base interactions energy: -562.802
where: short stacking energy: -273.894
Base-Backbone interact. energy: 0.704
local terms energy: -300.889590
where:
bonds (distance) C4'-P energy: -62.673
bonds (distance) P-C4' energy: -68.955
flat angles C4'-P-C4' energy: -65.197
flat angles P-C4'-P energy: -38.583
tors. eta vs tors. theta energy: -65.482
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: 2
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -824.176450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.176450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.176450 (E_RNA)
where:
Base-Base interactions energy: -549.247
where: short stacking energy: -235.615
Base-Backbone interact. energy: -1.976
local terms energy: -272.953825
where:
bonds (distance) C4'-P energy: -58.162
bonds (distance) P-C4' energy: -55.711
flat angles C4'-P-C4' energy: -68.486
flat angles P-C4'-P energy: -42.962
tors. eta vs tors. theta energy: -47.633
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: 7, replica: 10
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -712.896248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.896248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.896248 (E_RNA)
where:
Base-Base interactions energy: -452.015
where: short stacking energy: -212.364
Base-Backbone interact. energy: -1.865
local terms energy: -259.016933
where:
bonds (distance) C4'-P energy: -58.785
bonds (distance) P-C4' energy: -66.853
flat angles C4'-P-C4' energy: -64.779
flat angles P-C4'-P energy: -22.997
tors. eta vs tors. theta energy: -45.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -582.995892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.995892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.995892 (E_RNA)
where:
Base-Base interactions energy: -334.948
where: short stacking energy: -168.520
Base-Backbone interact. energy: 0.436
local terms energy: -248.484079
where:
bonds (distance) C4'-P energy: -59.524
bonds (distance) P-C4' energy: -62.969
flat angles C4'-P-C4' energy: -56.751
flat angles P-C4'-P energy: -39.430
tors. eta vs tors. theta energy: -29.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -300.847574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.847574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.847574 (E_RNA)
where:
Base-Base interactions energy: -114.731
where: short stacking energy: -109.738
Base-Backbone interact. energy: 0.315
local terms energy: -186.431817
where:
bonds (distance) C4'-P energy: -37.588
bonds (distance) P-C4' energy: -58.922
flat angles C4'-P-C4' energy: -47.267
flat angles P-C4'-P energy: -38.319
tors. eta vs tors. theta energy: -4.337
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: 5
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -381.966852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.966852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.966852 (E_RNA)
where:
Base-Base interactions energy: -169.604
where: short stacking energy: -98.345
Base-Backbone interact. energy: 1.366
local terms energy: -213.728088
where:
bonds (distance) C4'-P energy: -53.746
bonds (distance) P-C4' energy: -58.506
flat angles C4'-P-C4' energy: -60.963
flat angles P-C4'-P energy: -28.590
tors. eta vs tors. theta energy: -11.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -1105.382357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.382357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.382357 (E_RNA)
where:
Base-Base interactions energy: -750.738
where: short stacking energy: -318.322
Base-Backbone interact. energy: -2.087
local terms energy: -352.557978
where:
bonds (distance) C4'-P energy: -65.445
bonds (distance) P-C4' energy: -69.222
flat angles C4'-P-C4' energy: -78.527
flat angles P-C4'-P energy: -46.998
tors. eta vs tors. theta energy: -92.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -937.189964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.189964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.189964 (E_RNA)
where:
Base-Base interactions energy: -627.881
where: short stacking energy: -291.833
Base-Backbone interact. energy: -2.109
local terms energy: -307.200392
where:
bonds (distance) C4'-P energy: -65.140
bonds (distance) P-C4' energy: -67.964
flat angles C4'-P-C4' energy: -66.962
flat angles P-C4'-P energy: -37.634
tors. eta vs tors. theta energy: -69.501
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: 3, replica: 9
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -951.189061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.189061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.189061 (E_RNA)
where:
Base-Base interactions energy: -635.843
where: short stacking energy: -283.134
Base-Backbone interact. energy: -1.945
local terms energy: -313.400563
where:
bonds (distance) C4'-P energy: -55.473
bonds (distance) P-C4' energy: -71.644
flat angles C4'-P-C4' energy: -71.323
flat angles P-C4'-P energy: -36.997
tors. eta vs tors. theta energy: -77.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -903.201536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.201536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.201536 (E_RNA)
where:
Base-Base interactions energy: -607.108
where: short stacking energy: -266.705
Base-Backbone interact. energy: 0.359
local terms energy: -296.452159
where:
bonds (distance) C4'-P energy: -69.231
bonds (distance) P-C4' energy: -66.821
flat angles C4'-P-C4' energy: -63.548
flat angles P-C4'-P energy: -41.668
tors. eta vs tors. theta energy: -55.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -851.389399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.389399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.389399 (E_RNA)
where:
Base-Base interactions energy: -553.160
where: short stacking energy: -256.658
Base-Backbone interact. energy: -0.355
local terms energy: -297.874714
where:
bonds (distance) C4'-P energy: -58.783
bonds (distance) P-C4' energy: -62.370
flat angles C4'-P-C4' energy: -70.122
flat angles P-C4'-P energy: -40.802
tors. eta vs tors. theta energy: -65.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -802.063834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.063834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.063834 (E_RNA)
where:
Base-Base interactions energy: -551.361
where: short stacking energy: -232.673
Base-Backbone interact. energy: -1.521
local terms energy: -249.181914
where:
bonds (distance) C4'-P energy: -48.196
bonds (distance) P-C4' energy: -61.447
flat angles C4'-P-C4' energy: -55.158
flat angles P-C4'-P energy: -36.903
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: 7, replica: 10
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -713.805875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.805875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.805875 (E_RNA)
where:
Base-Base interactions energy: -463.143
where: short stacking energy: -229.046
Base-Backbone interact. energy: 0.566
local terms energy: -251.229402
where:
bonds (distance) C4'-P energy: -44.124
bonds (distance) P-C4' energy: -49.775
flat angles C4'-P-C4' energy: -69.726
flat angles P-C4'-P energy: -34.471
tors. eta vs tors. theta energy: -53.134
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: 6
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -551.023346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.023346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.023346 (E_RNA)
where:
Base-Base interactions energy: -310.346
where: short stacking energy: -147.881
Base-Backbone interact. energy: -1.197
local terms energy: -239.480419
where:
bonds (distance) C4'-P energy: -55.261
bonds (distance) P-C4' energy: -53.103
flat angles C4'-P-C4' energy: -73.238
flat angles P-C4'-P energy: -46.409
tors. eta vs tors. theta energy: -11.469
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: 5
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -366.647584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.647584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.647584 (E_RNA)
where:
Base-Base interactions energy: -164.324
where: short stacking energy: -97.600
Base-Backbone interact. energy: -1.495
local terms energy: -200.828734
where:
bonds (distance) C4'-P energy: -58.337
bonds (distance) P-C4' energy: -51.700
flat angles C4'-P-C4' energy: -48.912
flat angles P-C4'-P energy: -35.744
tors. eta vs tors. theta energy: -6.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -303.535456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.535456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.535456 (E_RNA)
where:
Base-Base interactions energy: -138.078
where: short stacking energy: -82.837
Base-Backbone interact. energy: 0.061
local terms energy: -165.517766
where:
bonds (distance) C4'-P energy: -52.763
bonds (distance) P-C4' energy: -44.937
flat angles C4'-P-C4' energy: -38.201
flat angles P-C4'-P energy: -33.847
tors. eta vs tors. theta energy: 4.229
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: 1
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -1104.351252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.351252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.351252 (E_RNA)
where:
Base-Base interactions energy: -775.578
where: short stacking energy: -338.405
Base-Backbone interact. energy: -1.606
local terms energy: -327.166877
where:
bonds (distance) C4'-P energy: -63.901
bonds (distance) P-C4' energy: -66.581
flat angles C4'-P-C4' energy: -59.528
flat angles P-C4'-P energy: -52.095
tors. eta vs tors. theta energy: -85.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -962.442051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.442051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.442051 (E_RNA)
where:
Base-Base interactions energy: -655.046
where: short stacking energy: -302.929
Base-Backbone interact. energy: -2.276
local terms energy: -305.120068
where:
bonds (distance) C4'-P energy: -52.242
bonds (distance) P-C4' energy: -58.792
flat angles C4'-P-C4' energy: -69.869
flat angles P-C4'-P energy: -44.155
tors. eta vs tors. theta energy: -80.063
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: 3, replica: 9
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -970.475500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.475500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.475500 (E_RNA)
where:
Base-Base interactions energy: -663.969
where: short stacking energy: -290.406
Base-Backbone interact. energy: -1.555
local terms energy: -304.951206
where:
bonds (distance) C4'-P energy: -59.070
bonds (distance) P-C4' energy: -59.075
flat angles C4'-P-C4' energy: -73.900
flat angles P-C4'-P energy: -34.835
tors. eta vs tors. theta energy: -78.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -889.967982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.967982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.967982 (E_RNA)
where:
Base-Base interactions energy: -586.791
where: short stacking energy: -264.510
Base-Backbone interact. energy: -1.443
local terms energy: -301.734198
where:
bonds (distance) C4'-P energy: -68.006
bonds (distance) P-C4' energy: -60.916
flat angles C4'-P-C4' energy: -63.584
flat angles P-C4'-P energy: -43.090
tors. eta vs tors. theta energy: -66.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -881.601881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.601881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.601881 (E_RNA)
where:
Base-Base interactions energy: -598.175
where: short stacking energy: -255.515
Base-Backbone interact. energy: -0.351
local terms energy: -283.076107
where:
bonds (distance) C4'-P energy: -66.889
bonds (distance) P-C4' energy: -63.364
flat angles C4'-P-C4' energy: -53.203
flat angles P-C4'-P energy: -41.991
tors. eta vs tors. theta energy: -57.630
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: 2
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -808.540137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.540137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.540137 (E_RNA)
where:
Base-Base interactions energy: -524.735
where: short stacking energy: -246.188
Base-Backbone interact. energy: 0.230
local terms energy: -284.035417
where:
bonds (distance) C4'-P energy: -60.166
bonds (distance) P-C4' energy: -61.128
flat angles C4'-P-C4' energy: -67.449
flat angles P-C4'-P energy: -35.499
tors. eta vs tors. theta energy: -59.793
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: 10
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -734.674455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.674455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.674455 (E_RNA)
where:
Base-Base interactions energy: -467.325
where: short stacking energy: -221.020
Base-Backbone interact. energy: -0.378
local terms energy: -266.971635
where:
bonds (distance) C4'-P energy: -51.684
bonds (distance) P-C4' energy: -61.019
flat angles C4'-P-C4' energy: -61.265
flat angles P-C4'-P energy: -43.376
tors. eta vs tors. theta energy: -49.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -558.065886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.065886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.065886 (E_RNA)
where:
Base-Base interactions energy: -344.312
where: short stacking energy: -187.782
Base-Backbone interact. energy: -0.896
local terms energy: -212.857597
where:
bonds (distance) C4'-P energy: -33.487
bonds (distance) P-C4' energy: -64.354
flat angles C4'-P-C4' energy: -50.241
flat angles P-C4'-P energy: -27.803
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: 9, replica: 5
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -430.804815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.804815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.804815 (E_RNA)
where:
Base-Base interactions energy: -218.740
where: short stacking energy: -128.885
Base-Backbone interact. energy: -0.686
local terms energy: -211.378831
where:
bonds (distance) C4'-P energy: -56.612
bonds (distance) P-C4' energy: -45.950
flat angles C4'-P-C4' energy: -58.566
flat angles P-C4'-P energy: -38.364
tors. eta vs tors. theta energy: -11.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -284.303600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.303600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.303600 (E_RNA)
where:
Base-Base interactions energy: -113.357
where: short stacking energy: -85.930
Base-Backbone interact. energy: 0.506
local terms energy: -171.451837
where:
bonds (distance) C4'-P energy: -45.636
bonds (distance) P-C4' energy: -44.568
flat angles C4'-P-C4' energy: -51.721
flat angles P-C4'-P energy: -33.478
tors. eta vs tors. theta energy: 3.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -1110.644346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.644346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.644346 (E_RNA)
where:
Base-Base interactions energy: -744.566
where: short stacking energy: -343.150
Base-Backbone interact. energy: -1.512
local terms energy: -364.565838
where:
bonds (distance) C4'-P energy: -61.832
bonds (distance) P-C4' energy: -70.949
flat angles C4'-P-C4' energy: -78.323
flat angles P-C4'-P energy: -51.369
tors. eta vs tors. theta energy: -102.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -952.302291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.302291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.302291 (E_RNA)
where:
Base-Base interactions energy: -634.424
where: short stacking energy: -288.034
Base-Backbone interact. energy: -1.949
local terms energy: -315.928665
where:
bonds (distance) C4'-P energy: -52.950
bonds (distance) P-C4' energy: -74.368
flat angles C4'-P-C4' energy: -63.691
flat angles P-C4'-P energy: -44.670
tors. eta vs tors. theta energy: -80.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -941.175204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.175204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.175204 (E_RNA)
where:
Base-Base interactions energy: -627.838
where: short stacking energy: -283.360
Base-Backbone interact. energy: -1.315
local terms energy: -312.021809
where:
bonds (distance) C4'-P energy: -69.141
bonds (distance) P-C4' energy: -60.320
flat angles C4'-P-C4' energy: -67.692
flat angles P-C4'-P energy: -38.904
tors. eta vs tors. theta energy: -75.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -869.692399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.692399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.692399 (E_RNA)
where:
Base-Base interactions energy: -586.600
where: short stacking energy: -239.369
Base-Backbone interact. energy: -2.257
local terms energy: -280.835029
where:
bonds (distance) C4'-P energy: -54.054
bonds (distance) P-C4' energy: -69.482
flat angles C4'-P-C4' energy: -62.033
flat angles P-C4'-P energy: -43.437
tors. eta vs tors. theta energy: -51.828
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: 70
Temperature: 1.100000
Total energy: -942.683174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.683174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.683174 (E_RNA)
where:
Base-Base interactions energy: -670.142
where: short stacking energy: -276.256
Base-Backbone interact. energy: -0.950
local terms energy: -271.590676
where:
bonds (distance) C4'-P energy: -52.244
bonds (distance) P-C4' energy: -55.551
flat angles C4'-P-C4' energy: -53.041
flat angles P-C4'-P energy: -48.550
tors. eta vs tors. theta energy: -62.205
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: 2
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -752.423735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.423735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.423735 (E_RNA)
where:
Base-Base interactions energy: -486.128
where: short stacking energy: -220.945
Base-Backbone interact. energy: -1.777
local terms energy: -264.518699
where:
bonds (distance) C4'-P energy: -52.447
bonds (distance) P-C4' energy: -62.094
flat angles C4'-P-C4' energy: -70.162
flat angles P-C4'-P energy: -34.210
tors. eta vs tors. theta energy: -45.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -724.420167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.420167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.420167 (E_RNA)
where:
Base-Base interactions energy: -461.779
where: short stacking energy: -209.775
Base-Backbone interact. energy: 4.704
local terms energy: -267.345220
where:
bonds (distance) C4'-P energy: -56.541
bonds (distance) P-C4' energy: -65.694
flat angles C4'-P-C4' energy: -54.296
flat angles P-C4'-P energy: -46.604
tors. eta vs tors. theta energy: -44.209
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: 6
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -553.850513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.850513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.850513 (E_RNA)
where:
Base-Base interactions energy: -333.278
where: short stacking energy: -171.883
Base-Backbone interact. energy: -0.596
local terms energy: -219.976443
where:
bonds (distance) C4'-P energy: -56.593
bonds (distance) P-C4' energy: -53.438
flat angles C4'-P-C4' energy: -52.968
flat angles P-C4'-P energy: -31.443
tors. eta vs tors. theta energy: -25.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -410.347686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.347686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.347686 (E_RNA)
where:
Base-Base interactions energy: -208.762
where: short stacking energy: -136.515
Base-Backbone interact. energy: 0.706
local terms energy: -202.291859
where:
bonds (distance) C4'-P energy: -55.769
bonds (distance) P-C4' energy: -64.163
flat angles C4'-P-C4' energy: -47.572
flat angles P-C4'-P energy: -27.333
tors. eta vs tors. theta energy: -7.455
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: 7
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -282.682418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.682418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.682418 (E_RNA)
where:
Base-Base interactions energy: -112.856
where: short stacking energy: -93.685
Base-Backbone interact. energy: 0.321
local terms energy: -170.147651
where:
bonds (distance) C4'-P energy: -48.840
bonds (distance) P-C4' energy: -61.549
flat angles C4'-P-C4' energy: -34.136
flat angles P-C4'-P energy: -25.550
tors. eta vs tors. theta energy: -0.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -1092.590277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.590277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.590277 (E_RNA)
where:
Base-Base interactions energy: -732.650
where: short stacking energy: -337.836
Base-Backbone interact. energy: -1.650
local terms energy: -358.290018
where:
bonds (distance) C4'-P energy: -65.323
bonds (distance) P-C4' energy: -67.986
flat angles C4'-P-C4' energy: -75.246
flat angles P-C4'-P energy: -49.638
tors. eta vs tors. theta energy: -100.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -966.306643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.306643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.306643 (E_RNA)
where:
Base-Base interactions energy: -638.987
where: short stacking energy: -289.642
Base-Backbone interact. energy: -1.607
local terms energy: -325.712628
where:
bonds (distance) C4'-P energy: -69.086
bonds (distance) P-C4' energy: -65.858
flat angles C4'-P-C4' energy: -68.875
flat angles P-C4'-P energy: -45.000
tors. eta vs tors. theta energy: -76.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -947.312422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.312422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.312422 (E_RNA)
where:
Base-Base interactions energy: -635.663
where: short stacking energy: -275.466
Base-Backbone interact. energy: -1.870
local terms energy: -309.779262
where:
bonds (distance) C4'-P energy: -58.698
bonds (distance) P-C4' energy: -74.126
flat angles C4'-P-C4' energy: -61.768
flat angles P-C4'-P energy: -39.966
tors. eta vs tors. theta energy: -75.221
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: 8
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -981.255737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.255737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.255737 (E_RNA)
where:
Base-Base interactions energy: -695.475
where: short stacking energy: -295.525
Base-Backbone interact. energy: -0.194
local terms energy: -285.586599
where:
bonds (distance) C4'-P energy: -60.645
bonds (distance) P-C4' energy: -62.202
flat angles C4'-P-C4' energy: -66.406
flat angles P-C4'-P energy: -36.545
tors. eta vs tors. theta energy: -59.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -872.474341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.474341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.474341 (E_RNA)
where:
Base-Base interactions energy: -573.289
where: short stacking energy: -262.760
Base-Backbone interact. energy: -0.929
local terms energy: -298.256698
where:
bonds (distance) C4'-P energy: -64.438
bonds (distance) P-C4' energy: -66.209
flat angles C4'-P-C4' energy: -68.585
flat angles P-C4'-P energy: -33.364
tors. eta vs tors. theta energy: -65.660
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: 10
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -730.009795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.009795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.009795 (E_RNA)
where:
Base-Base interactions energy: -470.941
where: short stacking energy: -233.182
Base-Backbone interact. energy: 0.919
local terms energy: -259.988103
where:
bonds (distance) C4'-P energy: -46.582
bonds (distance) P-C4' energy: -62.022
flat angles C4'-P-C4' energy: -70.949
flat angles P-C4'-P energy: -31.867
tors. eta vs tors. theta energy: -48.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -764.025646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.025646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.025646 (E_RNA)
where:
Base-Base interactions energy: -506.091
where: short stacking energy: -220.629
Base-Backbone interact. energy: -1.356
local terms energy: -256.578742
where:
bonds (distance) C4'-P energy: -51.636
bonds (distance) P-C4' energy: -53.025
flat angles C4'-P-C4' energy: -59.564
flat angles P-C4'-P energy: -40.418
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: 8, replica: 6
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -505.847477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.847477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.847477 (E_RNA)
where:
Base-Base interactions energy: -288.533
where: short stacking energy: -134.648
Base-Backbone interact. energy: -2.031
local terms energy: -215.283026
where:
bonds (distance) C4'-P energy: -57.657
bonds (distance) P-C4' energy: -55.527
flat angles C4'-P-C4' energy: -51.149
flat angles P-C4'-P energy: -38.674
tors. eta vs tors. theta energy: -12.276
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: 9, replica: 5
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -468.630233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.630233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.630233 (E_RNA)
where:
Base-Base interactions energy: -257.478
where: short stacking energy: -157.463
Base-Backbone interact. energy: 0.932
local terms energy: -212.083386
where:
bonds (distance) C4'-P energy: -58.155
bonds (distance) P-C4' energy: -52.315
flat angles C4'-P-C4' energy: -54.753
flat angles P-C4'-P energy: -29.132
tors. eta vs tors. theta energy: -17.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -297.988247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.988247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.988247 (E_RNA)
where:
Base-Base interactions energy: -131.721
where: short stacking energy: -79.625
Base-Backbone interact. energy: 2.373
local terms energy: -168.640817
where:
bonds (distance) C4'-P energy: -52.528
bonds (distance) P-C4' energy: -56.509
flat angles C4'-P-C4' energy: -44.014
flat angles P-C4'-P energy: -32.237
tors. eta vs tors. theta energy: 16.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -1120.845441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.845441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.845441 (E_RNA)
where:
Base-Base interactions energy: -759.997
where: short stacking energy: -345.806
Base-Backbone interact. energy: -0.665
local terms energy: -360.183421
where:
bonds (distance) C4'-P energy: -67.357
bonds (distance) P-C4' energy: -65.793
flat angles C4'-P-C4' energy: -81.243
flat angles P-C4'-P energy: -42.928
tors. eta vs tors. theta energy: -102.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -1030.335443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.335443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.335443 (E_RNA)
where:
Base-Base interactions energy: -690.876
where: short stacking energy: -314.107
Base-Backbone interact. energy: -1.624
local terms energy: -337.835461
where:
bonds (distance) C4'-P energy: -59.420
bonds (distance) P-C4' energy: -65.078
flat angles C4'-P-C4' energy: -75.900
flat angles P-C4'-P energy: -50.589
tors. eta vs tors. theta energy: -86.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -1035.007556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.007556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.007556 (E_RNA)
where:
Base-Base interactions energy: -717.528
where: short stacking energy: -300.811
Base-Backbone interact. energy: -1.057
local terms energy: -316.421777
where:
bonds (distance) C4'-P energy: -50.254
bonds (distance) P-C4' energy: -67.322
flat angles C4'-P-C4' energy: -72.711
flat angles P-C4'-P energy: -53.796
tors. eta vs tors. theta energy: -72.338
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: 4
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -926.840276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.840276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.840276 (E_RNA)
where:
Base-Base interactions energy: -618.419
where: short stacking energy: -279.557
Base-Backbone interact. energy: -2.706
local terms energy: -305.715619
where:
bonds (distance) C4'-P energy: -57.050
bonds (distance) P-C4' energy: -67.011
flat angles C4'-P-C4' energy: -67.374
flat angles P-C4'-P energy: -35.330
tors. eta vs tors. theta energy: -78.950
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: 3
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -889.914072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.914072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.914072 (E_RNA)
where:
Base-Base interactions energy: -590.095
where: short stacking energy: -261.143
Base-Backbone interact. energy: -0.834
local terms energy: -298.985783
where:
bonds (distance) C4'-P energy: -65.132
bonds (distance) P-C4' energy: -64.974
flat angles C4'-P-C4' energy: -65.043
flat angles P-C4'-P energy: -40.945
tors. eta vs tors. theta energy: -62.893
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: 10
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -735.930483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.930483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.930483 (E_RNA)
where:
Base-Base interactions energy: -478.576
where: short stacking energy: -213.967
Base-Backbone interact. energy: -1.419
local terms energy: -255.935017
where:
bonds (distance) C4'-P energy: -61.679
bonds (distance) P-C4' energy: -61.085
flat angles C4'-P-C4' energy: -54.078
flat angles P-C4'-P energy: -41.576
tors. eta vs tors. theta energy: -37.516
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: 2
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -730.840750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.840750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.840750 (E_RNA)
where:
Base-Base interactions energy: -475.071
where: short stacking energy: -218.978
Base-Backbone interact. energy: -0.036
local terms energy: -255.734047
where:
bonds (distance) C4'-P energy: -53.251
bonds (distance) P-C4' energy: -68.547
flat angles C4'-P-C4' energy: -47.580
flat angles P-C4'-P energy: -38.740
tors. eta vs tors. theta energy: -47.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -494.475065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.475065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.475065 (E_RNA)
where:
Base-Base interactions energy: -290.002
where: short stacking energy: -151.510
Base-Backbone interact. energy: -0.689
local terms energy: -203.784209
where:
bonds (distance) C4'-P energy: -60.599
bonds (distance) P-C4' energy: -50.065
flat angles C4'-P-C4' energy: -49.543
flat angles P-C4'-P energy: -32.729
tors. eta vs tors. theta energy: -10.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -459.489040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.489040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.489040 (E_RNA)
where:
Base-Base interactions energy: -236.491
where: short stacking energy: -153.733
Base-Backbone interact. energy: 0.403
local terms energy: -223.400594
where:
bonds (distance) C4'-P energy: -51.291
bonds (distance) P-C4' energy: -66.926
flat angles C4'-P-C4' energy: -57.929
flat angles P-C4'-P energy: -29.066
tors. eta vs tors. theta energy: -18.189
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: 7
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -297.334618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.334618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.334618 (E_RNA)
where:
Base-Base interactions energy: -121.475
where: short stacking energy: -84.548
Base-Backbone interact. energy: -0.311
local terms energy: -175.548345
where:
bonds (distance) C4'-P energy: -58.648
bonds (distance) P-C4' energy: -61.544
flat angles C4'-P-C4' energy: -51.785
flat angles P-C4'-P energy: -19.803
tors. eta vs tors. theta energy: 16.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -1092.948819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.948819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.948819 (E_RNA)
where:
Base-Base interactions energy: -735.700
where: short stacking energy: -338.116
Base-Backbone interact. energy: -0.917
local terms energy: -356.332246
where:
bonds (distance) C4'-P energy: -60.811
bonds (distance) P-C4' energy: -71.257
flat angles C4'-P-C4' energy: -74.280
flat angles P-C4'-P energy: -51.606
tors. eta vs tors. theta energy: -98.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -1028.697781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.697781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.697781 (E_RNA)
where:
Base-Base interactions energy: -704.405
where: short stacking energy: -279.446
Base-Backbone interact. energy: 0.804
local terms energy: -325.097422
where:
bonds (distance) C4'-P energy: -66.412
bonds (distance) P-C4' energy: -72.914
flat angles C4'-P-C4' energy: -64.428
flat angles P-C4'-P energy: -46.384
tors. eta vs tors. theta energy: -74.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -992.791593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.791593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.791593 (E_RNA)
where:
Base-Base interactions energy: -679.264
where: short stacking energy: -290.934
Base-Backbone interact. energy: 2.285
local terms energy: -315.812876
where:
bonds (distance) C4'-P energy: -62.685
bonds (distance) P-C4' energy: -55.731
flat angles C4'-P-C4' energy: -73.033
flat angles P-C4'-P energy: -44.452
tors. eta vs tors. theta energy: -79.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -949.577578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.577578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.577578 (E_RNA)
where:
Base-Base interactions energy: -654.732
where: short stacking energy: -290.581
Base-Backbone interact. energy: -1.297
local terms energy: -293.548457
where:
bonds (distance) C4'-P energy: -61.174
bonds (distance) P-C4' energy: -51.521
flat angles C4'-P-C4' energy: -64.528
flat angles P-C4'-P energy: -41.036
tors. eta vs tors. theta energy: -75.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -893.951603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.951603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.951603 (E_RNA)
where:
Base-Base interactions energy: -609.068
where: short stacking energy: -268.421
Base-Backbone interact. energy: -1.224
local terms energy: -283.659823
where:
bonds (distance) C4'-P energy: -45.892
bonds (distance) P-C4' energy: -52.655
flat angles C4'-P-C4' energy: -71.007
flat angles P-C4'-P energy: -34.905
tors. eta vs tors. theta energy: -79.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -770.513737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.513737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.513737 (E_RNA)
where:
Base-Base interactions energy: -504.460
where: short stacking energy: -228.457
Base-Backbone interact. energy: 0.977
local terms energy: -267.031321
where:
bonds (distance) C4'-P energy: -62.741
bonds (distance) P-C4' energy: -54.214
flat angles C4'-P-C4' energy: -65.679
flat angles P-C4'-P energy: -32.737
tors. eta vs tors. theta energy: -51.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -710.171590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.171590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.171590 (E_RNA)
where:
Base-Base interactions energy: -458.292
where: short stacking energy: -224.984
Base-Backbone interact. energy: 0.222
local terms energy: -252.101314
where:
bonds (distance) C4'-P energy: -55.748
bonds (distance) P-C4' energy: -70.289
flat angles C4'-P-C4' energy: -49.923
flat angles P-C4'-P energy: -21.552
tors. eta vs tors. theta energy: -54.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -525.287200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.287200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.287200 (E_RNA)
where:
Base-Base interactions energy: -291.678
where: short stacking energy: -167.239
Base-Backbone interact. energy: 0.715
local terms energy: -234.324058
where:
bonds (distance) C4'-P energy: -65.323
bonds (distance) P-C4' energy: -57.492
flat angles C4'-P-C4' energy: -62.266
flat angles P-C4'-P energy: -21.950
tors. eta vs tors. theta energy: -27.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -448.482995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.482995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.482995 (E_RNA)
where:
Base-Base interactions energy: -238.564
where: short stacking energy: -122.292
Base-Backbone interact. energy: 3.418
local terms energy: -213.337351
where:
bonds (distance) C4'-P energy: -55.786
bonds (distance) P-C4' energy: -70.465
flat angles C4'-P-C4' energy: -55.399
flat angles P-C4'-P energy: -18.459
tors. eta vs tors. theta energy: -13.228
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: 7
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -296.372275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.372275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.372275 (E_RNA)
where:
Base-Base interactions energy: -125.430
where: short stacking energy: -99.360
Base-Backbone interact. energy: -1.171
local terms energy: -169.771150
where:
bonds (distance) C4'-P energy: -48.546
bonds (distance) P-C4' energy: -58.299
flat angles C4'-P-C4' energy: -41.150
flat angles P-C4'-P energy: -21.692
tors. eta vs tors. theta energy: -0.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -1090.603514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.603514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.603514 (E_RNA)
where:
Base-Base interactions energy: -754.688
where: short stacking energy: -337.167
Base-Backbone interact. energy: -1.880
local terms energy: -334.035248
where:
bonds (distance) C4'-P energy: -63.092
bonds (distance) P-C4' energy: -60.483
flat angles C4'-P-C4' energy: -74.524
flat angles P-C4'-P energy: -49.770
tors. eta vs tors. theta energy: -86.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -1054.777949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.777949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.777949 (E_RNA)
where:
Base-Base interactions energy: -704.074
where: short stacking energy: -328.229
Base-Backbone interact. energy: -1.014
local terms energy: -349.690168
where:
bonds (distance) C4'-P energy: -61.320
bonds (distance) P-C4' energy: -65.175
flat angles C4'-P-C4' energy: -75.798
flat angles P-C4'-P energy: -48.010
tors. eta vs tors. theta energy: -99.387
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: 9
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -993.215998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.215998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.215998 (E_RNA)
where:
Base-Base interactions energy: -668.683
where: short stacking energy: -283.769
Base-Backbone interact. energy: -2.290
local terms energy: -322.242525
where:
bonds (distance) C4'-P energy: -56.207
bonds (distance) P-C4' energy: -67.283
flat angles C4'-P-C4' energy: -75.760
flat angles P-C4'-P energy: -47.273
tors. eta vs tors. theta energy: -75.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -949.956269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.956269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.956269 (E_RNA)
where:
Base-Base interactions energy: -643.873
where: short stacking energy: -279.224
Base-Backbone interact. energy: 1.471
local terms energy: -307.554069
where:
bonds (distance) C4'-P energy: -61.312
bonds (distance) P-C4' energy: -59.833
flat angles C4'-P-C4' energy: -64.199
flat angles P-C4'-P energy: -46.557
tors. eta vs tors. theta energy: -75.654
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: 5, replica: 3
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -879.980578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.980578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.980578 (E_RNA)
where:
Base-Base interactions energy: -582.695
where: short stacking energy: -263.127
Base-Backbone interact. energy: -1.575
local terms energy: -295.710729
where:
bonds (distance) C4'-P energy: -50.361
bonds (distance) P-C4' energy: -65.927
flat angles C4'-P-C4' energy: -62.496
flat angles P-C4'-P energy: -48.281
tors. eta vs tors. theta energy: -68.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -827.716490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.716490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.716490 (E_RNA)
where:
Base-Base interactions energy: -529.895
where: short stacking energy: -232.272
Base-Backbone interact. energy: -1.505
local terms energy: -296.317244
where:
bonds (distance) C4'-P energy: -56.625
bonds (distance) P-C4' energy: -63.521
flat angles C4'-P-C4' energy: -61.942
flat angles P-C4'-P energy: -43.967
tors. eta vs tors. theta energy: -70.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -713.510008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.510008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.510008 (E_RNA)
where:
Base-Base interactions energy: -460.753
where: short stacking energy: -217.039
Base-Backbone interact. energy: -0.701
local terms energy: -252.056030
where:
bonds (distance) C4'-P energy: -57.909
bonds (distance) P-C4' energy: -60.988
flat angles C4'-P-C4' energy: -53.448
flat angles P-C4'-P energy: -26.870
tors. eta vs tors. theta energy: -52.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -550.569050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.569050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.569050 (E_RNA)
where:
Base-Base interactions energy: -316.718
where: short stacking energy: -150.672
Base-Backbone interact. energy: -2.630
local terms energy: -231.220612
where:
bonds (distance) C4'-P energy: -42.449
bonds (distance) P-C4' energy: -71.229
flat angles C4'-P-C4' energy: -66.143
flat angles P-C4'-P energy: -37.232
tors. eta vs tors. theta energy: -14.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -394.945570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.945570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.945570 (E_RNA)
where:
Base-Base interactions energy: -183.136
where: short stacking energy: -107.241
Base-Backbone interact. energy: 0.063
local terms energy: -211.872739
where:
bonds (distance) C4'-P energy: -68.680
bonds (distance) P-C4' energy: -62.316
flat angles C4'-P-C4' energy: -45.793
flat angles P-C4'-P energy: -21.074
tors. eta vs tors. theta energy: -14.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -265.981203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.981203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.981203 (E_RNA)
where:
Base-Base interactions energy: -80.258
where: short stacking energy: -75.586
Base-Backbone interact. energy: -0.181
local terms energy: -185.542198
where:
bonds (distance) C4'-P energy: -61.248
bonds (distance) P-C4' energy: -56.750
flat angles C4'-P-C4' energy: -27.585
flat angles P-C4'-P energy: -38.938
tors. eta vs tors. theta energy: -1.021
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: 8
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -1096.245386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.245386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.245386 (E_RNA)
where:
Base-Base interactions energy: -761.997
where: short stacking energy: -333.301
Base-Backbone interact. energy: -2.107
local terms energy: -332.140999
where:
bonds (distance) C4'-P energy: -62.100
bonds (distance) P-C4' energy: -64.237
flat angles C4'-P-C4' energy: -72.229
flat angles P-C4'-P energy: -51.248
tors. eta vs tors. theta energy: -82.327
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: 1
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -1066.328110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.328110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.328110 (E_RNA)
where:
Base-Base interactions energy: -715.910
where: short stacking energy: -312.250
Base-Backbone interact. energy: -1.051
local terms energy: -349.366704
where:
bonds (distance) C4'-P energy: -66.005
bonds (distance) P-C4' energy: -63.768
flat angles C4'-P-C4' energy: -76.093
flat angles P-C4'-P energy: -51.489
tors. eta vs tors. theta energy: -92.012
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: 9
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -987.313382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.313382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.313382 (E_RNA)
where:
Base-Base interactions energy: -648.099
where: short stacking energy: -282.080
Base-Backbone interact. energy: -1.592
local terms energy: -337.621885
where:
bonds (distance) C4'-P energy: -63.337
bonds (distance) P-C4' energy: -72.912
flat angles C4'-P-C4' energy: -75.351
flat angles P-C4'-P energy: -44.658
tors. eta vs tors. theta energy: -81.365
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: 4
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -928.587267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.587267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.587267 (E_RNA)
where:
Base-Base interactions energy: -635.224
where: short stacking energy: -277.061
Base-Backbone interact. energy: -1.730
local terms energy: -291.632827
where:
bonds (distance) C4'-P energy: -52.466
bonds (distance) P-C4' energy: -66.313
flat angles C4'-P-C4' energy: -60.075
flat angles P-C4'-P energy: -46.047
tors. eta vs tors. theta energy: -66.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -856.309320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.309320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.309320 (E_RNA)
where:
Base-Base interactions energy: -579.116
where: short stacking energy: -281.443
Base-Backbone interact. energy: -0.052
local terms energy: -277.141235
where:
bonds (distance) C4'-P energy: -38.350
bonds (distance) P-C4' energy: -60.727
flat angles C4'-P-C4' energy: -66.656
flat angles P-C4'-P energy: -43.320
tors. eta vs tors. theta energy: -68.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -805.749238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.749238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.749238 (E_RNA)
where:
Base-Base interactions energy: -531.357
where: short stacking energy: -230.569
Base-Backbone interact. energy: -1.614
local terms energy: -272.777937
where:
bonds (distance) C4'-P energy: -59.992
bonds (distance) P-C4' energy: -62.394
flat angles C4'-P-C4' energy: -59.257
flat angles P-C4'-P energy: -44.322
tors. eta vs tors. theta energy: -46.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -738.815870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.815870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.815870 (E_RNA)
where:
Base-Base interactions energy: -468.474
where: short stacking energy: -209.902
Base-Backbone interact. energy: -1.444
local terms energy: -268.897524
where:
bonds (distance) C4'-P energy: -60.017
bonds (distance) P-C4' energy: -74.454
flat angles C4'-P-C4' energy: -57.299
flat angles P-C4'-P energy: -40.508
tors. eta vs tors. theta energy: -36.619
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: 5
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -568.086804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.086804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.086804 (E_RNA)
where:
Base-Base interactions energy: -341.730
where: short stacking energy: -162.337
Base-Backbone interact. energy: 4.205
local terms energy: -230.562066
where:
bonds (distance) C4'-P energy: -47.193
bonds (distance) P-C4' energy: -64.338
flat angles C4'-P-C4' energy: -54.862
flat angles P-C4'-P energy: -36.534
tors. eta vs tors. theta energy: -27.635
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: 9, replica: 6
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -356.463131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.463131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.463131 (E_RNA)
where:
Base-Base interactions energy: -174.659
where: short stacking energy: -117.893
Base-Backbone interact. energy: -0.915
local terms energy: -180.888185
where:
bonds (distance) C4'-P energy: -52.239
bonds (distance) P-C4' energy: -60.594
flat angles C4'-P-C4' energy: -41.863
flat angles P-C4'-P energy: -23.178
tors. eta vs tors. theta energy: -3.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -329.398915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.398915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.398915 (E_RNA)
where:
Base-Base interactions energy: -146.464
where: short stacking energy: -98.375
Base-Backbone interact. energy: 1.502
local terms energy: -184.437123
where:
bonds (distance) C4'-P energy: -63.631
bonds (distance) P-C4' energy: -50.273
flat angles C4'-P-C4' energy: -29.357
flat angles P-C4'-P energy: -41.066
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: 8
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -1108.179942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.179942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.179942 (E_RNA)
where:
Base-Base interactions energy: -761.787
where: short stacking energy: -337.185
Base-Backbone interact. energy: -1.830
local terms energy: -344.563520
where:
bonds (distance) C4'-P energy: -66.282
bonds (distance) P-C4' energy: -71.484
flat angles C4'-P-C4' energy: -72.084
flat angles P-C4'-P energy: -46.894
tors. eta vs tors. theta energy: -87.818
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: 1
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -1048.459269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.459269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.459269 (E_RNA)
where:
Base-Base interactions energy: -693.870
where: short stacking energy: -328.993
Base-Backbone interact. energy: 0.876
local terms energy: -355.465313
where:
bonds (distance) C4'-P energy: -68.057
bonds (distance) P-C4' energy: -66.533
flat angles C4'-P-C4' energy: -77.521
flat angles P-C4'-P energy: -48.468
tors. eta vs tors. theta energy: -94.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -975.214034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.214034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.214034 (E_RNA)
where:
Base-Base interactions energy: -660.903
where: short stacking energy: -287.598
Base-Backbone interact. energy: -0.703
local terms energy: -313.608531
where:
bonds (distance) C4'-P energy: -65.303
bonds (distance) P-C4' energy: -53.363
flat angles C4'-P-C4' energy: -72.206
flat angles P-C4'-P energy: -46.288
tors. eta vs tors. theta energy: -76.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -934.505875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.505875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.505875 (E_RNA)
where:
Base-Base interactions energy: -630.272
where: short stacking energy: -271.129
Base-Backbone interact. energy: -1.988
local terms energy: -302.245489
where:
bonds (distance) C4'-P energy: -56.495
bonds (distance) P-C4' energy: -60.128
flat angles C4'-P-C4' energy: -75.804
flat angles P-C4'-P energy: -45.224
tors. eta vs tors. theta energy: -64.595
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: 76
Temperature: 1.100000
Total energy: -893.116296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.116296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.116296 (E_RNA)
where:
Base-Base interactions energy: -589.838
where: short stacking energy: -295.010
Base-Backbone interact. energy: -0.355
local terms energy: -302.923663
where:
bonds (distance) C4'-P energy: -66.083
bonds (distance) P-C4' energy: -60.262
flat angles C4'-P-C4' energy: -63.481
flat angles P-C4'-P energy: -38.026
tors. eta vs tors. theta energy: -75.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -843.195880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.195880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.195880 (E_RNA)
where:
Base-Base interactions energy: -559.161
where: short stacking energy: -262.193
Base-Backbone interact. energy: 0.111
local terms energy: -284.146044
where:
bonds (distance) C4'-P energy: -41.302
bonds (distance) P-C4' energy: -63.128
flat angles C4'-P-C4' energy: -70.229
flat angles P-C4'-P energy: -41.606
tors. eta vs tors. theta energy: -67.882
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: 10
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -742.541790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.541790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.541790 (E_RNA)
where:
Base-Base interactions energy: -451.836
where: short stacking energy: -205.525
Base-Backbone interact. energy: -0.567
local terms energy: -290.139040
where:
bonds (distance) C4'-P energy: -55.998
bonds (distance) P-C4' energy: -68.801
flat angles C4'-P-C4' energy: -68.504
flat angles P-C4'-P energy: -47.260
tors. eta vs tors. theta energy: -49.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -538.816490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.816490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.816490 (E_RNA)
where:
Base-Base interactions energy: -324.541
where: short stacking energy: -158.155
Base-Backbone interact. energy: -1.605
local terms energy: -212.669713
where:
bonds (distance) C4'-P energy: -42.986
bonds (distance) P-C4' energy: -48.569
flat angles C4'-P-C4' energy: -59.835
flat angles P-C4'-P energy: -40.094
tors. eta vs tors. theta energy: -21.186
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: 9, replica: 7
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -375.405893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.405893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.405893 (E_RNA)
where:
Base-Base interactions energy: -164.217
where: short stacking energy: -107.391
Base-Backbone interact. energy: 2.727
local terms energy: -213.916079
where:
bonds (distance) C4'-P energy: -56.322
bonds (distance) P-C4' energy: -57.244
flat angles C4'-P-C4' energy: -56.373
flat angles P-C4'-P energy: -36.874
tors. eta vs tors. theta energy: -7.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -325.191519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.191519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.191519 (E_RNA)
where:
Base-Base interactions energy: -132.027
where: short stacking energy: -82.566
Base-Backbone interact. energy: -1.106
local terms energy: -192.058781
where:
bonds (distance) C4'-P energy: -55.731
bonds (distance) P-C4' energy: -55.524
flat angles C4'-P-C4' energy: -56.445
flat angles P-C4'-P energy: -23.135
tors. eta vs tors. theta energy: -1.225
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: 8
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -1085.781745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.781745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.781745 (E_RNA)
where:
Base-Base interactions energy: -747.033
where: short stacking energy: -333.734
Base-Backbone interact. energy: -2.336
local terms energy: -336.412286
where:
bonds (distance) C4'-P energy: -54.937
bonds (distance) P-C4' energy: -61.816
flat angles C4'-P-C4' energy: -75.272
flat angles P-C4'-P energy: -57.762
tors. eta vs tors. theta energy: -86.625
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: 2, replica: 1
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -1074.158858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.158858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.158858 (E_RNA)
where:
Base-Base interactions energy: -728.406
where: short stacking energy: -333.944
Base-Backbone interact. energy: 1.211
local terms energy: -346.963765
where:
bonds (distance) C4'-P energy: -56.686
bonds (distance) P-C4' energy: -70.020
flat angles C4'-P-C4' energy: -71.169
flat angles P-C4'-P energy: -46.659
tors. eta vs tors. theta energy: -102.430
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: 9
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -1005.729590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.729590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.729590 (E_RNA)
where:
Base-Base interactions energy: -674.528
where: short stacking energy: -305.479
Base-Backbone interact. energy: 0.235
local terms energy: -331.436512
where:
bonds (distance) C4'-P energy: -65.485
bonds (distance) P-C4' energy: -58.349
flat angles C4'-P-C4' energy: -76.872
flat angles P-C4'-P energy: -47.009
tors. eta vs tors. theta energy: -83.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -936.438212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.438212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.438212 (E_RNA)
where:
Base-Base interactions energy: -624.258
where: short stacking energy: -279.376
Base-Backbone interact. energy: 0.171
local terms energy: -312.351399
where:
bonds (distance) C4'-P energy: -60.652
bonds (distance) P-C4' energy: -58.922
flat angles C4'-P-C4' energy: -67.322
flat angles P-C4'-P energy: -45.724
tors. eta vs tors. theta energy: -79.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -878.771769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.771769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.771769 (E_RNA)
where:
Base-Base interactions energy: -575.303
where: short stacking energy: -267.287
Base-Backbone interact. energy: 1.134
local terms energy: -304.603015
where:
bonds (distance) C4'-P energy: -67.579
bonds (distance) P-C4' energy: -66.669
flat angles C4'-P-C4' energy: -68.256
flat angles P-C4'-P energy: -38.691
tors. eta vs tors. theta energy: -63.408
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: 2
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -811.437935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.437935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.437935 (E_RNA)
where:
Base-Base interactions energy: -559.599
where: short stacking energy: -248.064
Base-Backbone interact. energy: -0.433
local terms energy: -251.406084
where:
bonds (distance) C4'-P energy: -44.596
bonds (distance) P-C4' energy: -53.544
flat angles C4'-P-C4' energy: -60.557
flat angles P-C4'-P energy: -36.566
tors. eta vs tors. theta energy: -56.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -679.090135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.090135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.090135 (E_RNA)
where:
Base-Base interactions energy: -435.868
where: short stacking energy: -193.493
Base-Backbone interact. energy: -1.554
local terms energy: -241.668282
where:
bonds (distance) C4'-P energy: -43.133
bonds (distance) P-C4' energy: -52.734
flat angles C4'-P-C4' energy: -68.032
flat angles P-C4'-P energy: -36.956
tors. eta vs tors. theta energy: -40.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -566.317418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.317418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.317418 (E_RNA)
where:
Base-Base interactions energy: -327.704
where: short stacking energy: -171.330
Base-Backbone interact. energy: -1.352
local terms energy: -237.261476
where:
bonds (distance) C4'-P energy: -56.416
bonds (distance) P-C4' energy: -50.402
flat angles C4'-P-C4' energy: -58.147
flat angles P-C4'-P energy: -34.705
tors. eta vs tors. theta energy: -37.591
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: 7
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -358.876453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.876453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.876453 (E_RNA)
where:
Base-Base interactions energy: -165.154
where: short stacking energy: -85.480
Base-Backbone interact. energy: 5.319
local terms energy: -199.041267
where:
bonds (distance) C4'-P energy: -59.796
bonds (distance) P-C4' energy: -63.471
flat angles C4'-P-C4' energy: -55.615
flat angles P-C4'-P energy: -19.137
tors. eta vs tors. theta energy: -1.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -294.684485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.684485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.684485 (E_RNA)
where:
Base-Base interactions energy: -116.537
where: short stacking energy: -65.464
Base-Backbone interact. energy: 2.143
local terms energy: -180.290475
where:
bonds (distance) C4'-P energy: -40.919
bonds (distance) P-C4' energy: -72.977
flat angles C4'-P-C4' energy: -40.334
flat angles P-C4'-P energy: -33.323
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: 1
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -1124.720975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.720975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.720975 (E_RNA)
where:
Base-Base interactions energy: -777.788
where: short stacking energy: -358.084
Base-Backbone interact. energy: -0.756
local terms energy: -346.176924
where:
bonds (distance) C4'-P energy: -56.086
bonds (distance) P-C4' energy: -55.714
flat angles C4'-P-C4' energy: -70.900
flat angles P-C4'-P energy: -56.554
tors. eta vs tors. theta energy: -106.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -1068.728769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.728769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.728769 (E_RNA)
where:
Base-Base interactions energy: -743.637
where: short stacking energy: -315.095
Base-Backbone interact. energy: -1.188
local terms energy: -323.903609
where:
bonds (distance) C4'-P energy: -59.460
bonds (distance) P-C4' energy: -61.973
flat angles C4'-P-C4' energy: -71.482
flat angles P-C4'-P energy: -49.760
tors. eta vs tors. theta energy: -81.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -987.751672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.751672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.751672 (E_RNA)
where:
Base-Base interactions energy: -660.798
where: short stacking energy: -298.689
Base-Backbone interact. energy: -1.761
local terms energy: -325.192540
where:
bonds (distance) C4'-P energy: -66.739
bonds (distance) P-C4' energy: -69.386
flat angles C4'-P-C4' energy: -64.452
flat angles P-C4'-P energy: -51.256
tors. eta vs tors. theta energy: -73.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -918.953188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.953188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.953188 (E_RNA)
where:
Base-Base interactions energy: -612.237
where: short stacking energy: -265.986
Base-Backbone interact. energy: -1.547
local terms energy: -305.169068
where:
bonds (distance) C4'-P energy: -61.647
bonds (distance) P-C4' energy: -56.457
flat angles C4'-P-C4' energy: -66.661
flat angles P-C4'-P energy: -45.943
tors. eta vs tors. theta energy: -74.461
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: 2
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -830.750917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.750917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.750917 (E_RNA)
where:
Base-Base interactions energy: -546.913
where: short stacking energy: -233.559
Base-Backbone interact. energy: -0.858
local terms energy: -282.980179
where:
bonds (distance) C4'-P energy: -57.758
bonds (distance) P-C4' energy: -68.035
flat angles C4'-P-C4' energy: -52.331
flat angles P-C4'-P energy: -56.725
tors. eta vs tors. theta energy: -48.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -834.743169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.743169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.743169 (E_RNA)
where:
Base-Base interactions energy: -565.605
where: short stacking energy: -259.692
Base-Backbone interact. energy: -1.235
local terms energy: -267.903378
where:
bonds (distance) C4'-P energy: -58.546
bonds (distance) P-C4' energy: -56.858
flat angles C4'-P-C4' energy: -57.172
flat angles P-C4'-P energy: -36.763
tors. eta vs tors. theta energy: -58.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -699.668048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.668048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.668048 (E_RNA)
where:
Base-Base interactions energy: -453.716
where: short stacking energy: -216.205
Base-Backbone interact. energy: 3.973
local terms energy: -249.925655
where:
bonds (distance) C4'-P energy: -54.497
bonds (distance) P-C4' energy: -56.364
flat angles C4'-P-C4' energy: -61.944
flat angles P-C4'-P energy: -36.118
tors. eta vs tors. theta energy: -41.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -563.541822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.541822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.541822 (E_RNA)
where:
Base-Base interactions energy: -347.759
where: short stacking energy: -157.181
Base-Backbone interact. energy: 2.101
local terms energy: -217.883331
where:
bonds (distance) C4'-P energy: -58.459
bonds (distance) P-C4' energy: -53.590
flat angles C4'-P-C4' energy: -50.384
flat angles P-C4'-P energy: -41.153
tors. eta vs tors. theta energy: -14.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -390.312412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.312412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.312412 (E_RNA)
where:
Base-Base interactions energy: -207.276
where: short stacking energy: -128.861
Base-Backbone interact. energy: -1.853
local terms energy: -181.183401
where:
bonds (distance) C4'-P energy: -40.308
bonds (distance) P-C4' energy: -50.096
flat angles C4'-P-C4' energy: -43.951
flat angles P-C4'-P energy: -38.079
tors. eta vs tors. theta energy: -8.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -269.432900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.432900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.432900 (E_RNA)
where:
Base-Base interactions energy: -94.045
where: short stacking energy: -80.273
Base-Backbone interact. energy: 0.467
local terms energy: -175.854464
where:
bonds (distance) C4'-P energy: -53.869
bonds (distance) P-C4' energy: -46.966
flat angles C4'-P-C4' energy: -43.313
flat angles P-C4'-P energy: -36.213
tors. eta vs tors. theta energy: 4.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -1097.206024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.206024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.206024 (E_RNA)
where:
Base-Base interactions energy: -730.800
where: short stacking energy: -348.176
Base-Backbone interact. energy: -0.307
local terms energy: -366.099244
where:
bonds (distance) C4'-P energy: -71.265
bonds (distance) P-C4' energy: -66.724
flat angles C4'-P-C4' energy: -77.046
flat angles P-C4'-P energy: -46.373
tors. eta vs tors. theta energy: -104.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -1079.179062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.179062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.179062 (E_RNA)
where:
Base-Base interactions energy: -736.183
where: short stacking energy: -315.516
Base-Backbone interact. energy: -0.348
local terms energy: -342.648330
where:
bonds (distance) C4'-P energy: -74.591
bonds (distance) P-C4' energy: -62.527
flat angles C4'-P-C4' energy: -73.979
flat angles P-C4'-P energy: -45.448
tors. eta vs tors. theta energy: -86.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -983.209305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.209305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.209305 (E_RNA)
where:
Base-Base interactions energy: -633.701
where: short stacking energy: -290.997
Base-Backbone interact. energy: -2.878
local terms energy: -346.630835
where:
bonds (distance) C4'-P energy: -66.877
bonds (distance) P-C4' energy: -71.549
flat angles C4'-P-C4' energy: -68.442
flat angles P-C4'-P energy: -59.150
tors. eta vs tors. theta energy: -80.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -914.577178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.577178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.577178 (E_RNA)
where:
Base-Base interactions energy: -615.828
where: short stacking energy: -272.461
Base-Backbone interact. energy: 2.680
local terms energy: -301.429224
where:
bonds (distance) C4'-P energy: -58.475
bonds (distance) P-C4' energy: -66.547
flat angles C4'-P-C4' energy: -63.652
flat angles P-C4'-P energy: -41.343
tors. eta vs tors. theta energy: -71.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -829.768666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.768666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.768666 (E_RNA)
where:
Base-Base interactions energy: -564.985
where: short stacking energy: -238.422
Base-Backbone interact. energy: 0.299
local terms energy: -265.082893
where:
bonds (distance) C4'-P energy: -55.584
bonds (distance) P-C4' energy: -70.178
flat angles C4'-P-C4' energy: -62.216
flat angles P-C4'-P energy: -27.194
tors. eta vs tors. theta energy: -49.911
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: 79
Temperature: 1.150000
Total energy: -791.083064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.083064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.083064 (E_RNA)
where:
Base-Base interactions energy: -519.197
where: short stacking energy: -248.206
Base-Backbone interact. energy: -0.840
local terms energy: -271.045669
where:
bonds (distance) C4'-P energy: -60.450
bonds (distance) P-C4' energy: -45.190
flat angles C4'-P-C4' energy: -66.292
flat angles P-C4'-P energy: -40.353
tors. eta vs tors. theta energy: -58.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -702.972107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.972107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.972107 (E_RNA)
where:
Base-Base interactions energy: -435.991
where: short stacking energy: -203.815
Base-Backbone interact. energy: -2.856
local terms energy: -264.125600
where:
bonds (distance) C4'-P energy: -69.647
bonds (distance) P-C4' energy: -57.393
flat angles C4'-P-C4' energy: -59.857
flat angles P-C4'-P energy: -32.453
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: 8, replica: 5
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -547.482962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.482962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.482962 (E_RNA)
where:
Base-Base interactions energy: -315.190
where: short stacking energy: -160.434
Base-Backbone interact. energy: -1.755
local terms energy: -230.537746
where:
bonds (distance) C4'-P energy: -44.736
bonds (distance) P-C4' energy: -54.254
flat angles C4'-P-C4' energy: -61.316
flat angles P-C4'-P energy: -47.803
tors. eta vs tors. theta energy: -22.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -395.628808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.628808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.628808 (E_RNA)
where:
Base-Base interactions energy: -193.526
where: short stacking energy: -99.724
Base-Backbone interact. energy: -1.921
local terms energy: -200.181290
where:
bonds (distance) C4'-P energy: -61.734
bonds (distance) P-C4' energy: -57.144
flat angles C4'-P-C4' energy: -49.486
flat angles P-C4'-P energy: -28.494
tors. eta vs tors. theta energy: -3.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -295.161212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.161212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.161212 (E_RNA)
where:
Base-Base interactions energy: -118.042
where: short stacking energy: -88.757
Base-Backbone interact. energy: -1.579
local terms energy: -175.539705
where:
bonds (distance) C4'-P energy: -50.590
bonds (distance) P-C4' energy: -52.441
flat angles C4'-P-C4' energy: -49.154
flat angles P-C4'-P energy: -31.085
tors. eta vs tors. theta energy: 7.731
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: 1
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -1112.948569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.948569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.948569 (E_RNA)
where:
Base-Base interactions energy: -743.984
where: short stacking energy: -336.520
Base-Backbone interact. energy: 1.828
local terms energy: -370.791855
where:
bonds (distance) C4'-P energy: -64.494
bonds (distance) P-C4' energy: -69.685
flat angles C4'-P-C4' energy: -78.985
flat angles P-C4'-P energy: -53.012
tors. eta vs tors. theta energy: -104.617
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: 8
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -1057.567261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.567261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.567261 (E_RNA)
where:
Base-Base interactions energy: -737.875
where: short stacking energy: -317.222
Base-Backbone interact. energy: 2.021
local terms energy: -321.713365
where:
bonds (distance) C4'-P energy: -57.280
bonds (distance) P-C4' energy: -63.213
flat angles C4'-P-C4' energy: -81.966
flat angles P-C4'-P energy: -44.235
tors. eta vs tors. theta energy: -75.019
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: 9
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -1006.542532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.542532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.542532 (E_RNA)
where:
Base-Base interactions energy: -669.019
where: short stacking energy: -300.528
Base-Backbone interact. energy: 0.593
local terms energy: -338.116267
where:
bonds (distance) C4'-P energy: -67.876
bonds (distance) P-C4' energy: -58.732
flat angles C4'-P-C4' energy: -75.482
flat angles P-C4'-P energy: -51.480
tors. eta vs tors. theta energy: -84.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -890.735252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.735252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.735252 (E_RNA)
where:
Base-Base interactions energy: -586.386
where: short stacking energy: -260.475
Base-Backbone interact. energy: -3.187
local terms energy: -301.163148
where:
bonds (distance) C4'-P energy: -56.184
bonds (distance) P-C4' energy: -68.310
flat angles C4'-P-C4' energy: -73.941
flat angles P-C4'-P energy: -34.120
tors. eta vs tors. theta energy: -68.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -865.106445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.106445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.106445 (E_RNA)
where:
Base-Base interactions energy: -586.805
where: short stacking energy: -251.622
Base-Backbone interact. energy: -2.122
local terms energy: -276.178889
where:
bonds (distance) C4'-P energy: -51.773
bonds (distance) P-C4' energy: -60.752
flat angles C4'-P-C4' energy: -66.093
flat angles P-C4'-P energy: -38.724
tors. eta vs tors. theta energy: -58.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -789.966343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.966343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.966343 (E_RNA)
where:
Base-Base interactions energy: -531.586
where: short stacking energy: -252.666
Base-Backbone interact. energy: -0.377
local terms energy: -258.003138
where:
bonds (distance) C4'-P energy: -53.884
bonds (distance) P-C4' energy: -61.629
flat angles C4'-P-C4' energy: -60.641
flat angles P-C4'-P energy: -28.101
tors. eta vs tors. theta energy: -53.748
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: 7, replica: 10
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -674.604014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.604014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.604014 (E_RNA)
where:
Base-Base interactions energy: -400.631
where: short stacking energy: -201.761
Base-Backbone interact. energy: -1.221
local terms energy: -272.752479
where:
bonds (distance) C4'-P energy: -58.850
bonds (distance) P-C4' energy: -69.284
flat angles C4'-P-C4' energy: -62.967
flat angles P-C4'-P energy: -41.382
tors. eta vs tors. theta energy: -40.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -571.980164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.980164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.980164 (E_RNA)
where:
Base-Base interactions energy: -343.659
where: short stacking energy: -174.144
Base-Backbone interact. energy: 1.339
local terms energy: -229.659930
where:
bonds (distance) C4'-P energy: -52.531
bonds (distance) P-C4' energy: -62.430
flat angles C4'-P-C4' energy: -50.798
flat angles P-C4'-P energy: -28.735
tors. eta vs tors. theta energy: -35.165
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: 7
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -312.022484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.022484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.022484 (E_RNA)
where:
Base-Base interactions energy: -124.869
where: short stacking energy: -103.240
Base-Backbone interact. energy: -1.061
local terms energy: -186.092459
where:
bonds (distance) C4'-P energy: -47.764
bonds (distance) P-C4' energy: -60.420
flat angles C4'-P-C4' energy: -42.670
flat angles P-C4'-P energy: -29.971
tors. eta vs tors. theta energy: -5.267
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: 6
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -289.744823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.744823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.744823 (E_RNA)
where:
Base-Base interactions energy: -102.462
where: short stacking energy: -71.988
Base-Backbone interact. energy: 0.887
local terms energy: -188.169945
where:
bonds (distance) C4'-P energy: -50.836
bonds (distance) P-C4' energy: -62.527
flat angles C4'-P-C4' energy: -42.974
flat angles P-C4'-P energy: -30.525
tors. eta vs tors. theta energy: -1.308
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: 1
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -1100.586256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.586256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.586256 (E_RNA)
where:
Base-Base interactions energy: -741.559
where: short stacking energy: -343.488
Base-Backbone interact. energy: -0.407
local terms energy: -358.620753
where:
bonds (distance) C4'-P energy: -71.656
bonds (distance) P-C4' energy: -64.126
flat angles C4'-P-C4' energy: -74.002
flat angles P-C4'-P energy: -48.728
tors. eta vs tors. theta energy: -100.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -1069.169079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.169079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.169079 (E_RNA)
where:
Base-Base interactions energy: -727.621
where: short stacking energy: -336.800
Base-Backbone interact. energy: -0.980
local terms energy: -340.568453
where:
bonds (distance) C4'-P energy: -63.672
bonds (distance) P-C4' energy: -67.562
flat angles C4'-P-C4' energy: -70.893
flat angles P-C4'-P energy: -52.663
tors. eta vs tors. theta energy: -85.778
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: 3, replica: 9
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -987.287477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.287477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.287477 (E_RNA)
where:
Base-Base interactions energy: -675.186
where: short stacking energy: -307.180
Base-Backbone interact. energy: 1.196
local terms energy: -313.297791
where:
bonds (distance) C4'-P energy: -52.582
bonds (distance) P-C4' energy: -69.166
flat angles C4'-P-C4' energy: -61.630
flat angles P-C4'-P energy: -45.391
tors. eta vs tors. theta energy: -84.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -880.857076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.857076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.857076 (E_RNA)
where:
Base-Base interactions energy: -591.451
where: short stacking energy: -267.115
Base-Backbone interact. energy: -2.123
local terms energy: -287.282571
where:
bonds (distance) C4'-P energy: -49.154
bonds (distance) P-C4' energy: -61.260
flat angles C4'-P-C4' energy: -66.689
flat angles P-C4'-P energy: -44.902
tors. eta vs tors. theta energy: -65.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -854.585162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.585162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.585162 (E_RNA)
where:
Base-Base interactions energy: -572.014
where: short stacking energy: -257.939
Base-Backbone interact. energy: -0.187
local terms energy: -282.383946
where:
bonds (distance) C4'-P energy: -53.562
bonds (distance) P-C4' energy: -59.749
flat angles C4'-P-C4' energy: -65.098
flat angles P-C4'-P energy: -41.701
tors. eta vs tors. theta energy: -62.273
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: 3
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -851.523464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.523464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.523464 (E_RNA)
where:
Base-Base interactions energy: -561.319
where: short stacking energy: -259.627
Base-Backbone interact. energy: -0.741
local terms energy: -289.462933
where:
bonds (distance) C4'-P energy: -52.847
bonds (distance) P-C4' energy: -56.390
flat angles C4'-P-C4' energy: -73.651
flat angles P-C4'-P energy: -40.066
tors. eta vs tors. theta energy: -66.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -679.056576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.056576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.056576 (E_RNA)
where:
Base-Base interactions energy: -423.058
where: short stacking energy: -209.597
Base-Backbone interact. energy: 0.324
local terms energy: -256.323563
where:
bonds (distance) C4'-P energy: -55.866
bonds (distance) P-C4' energy: -60.879
flat angles C4'-P-C4' energy: -58.565
flat angles P-C4'-P energy: -34.058
tors. eta vs tors. theta energy: -46.956
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: 5
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -515.659440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.659440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.659440 (E_RNA)
where:
Base-Base interactions energy: -295.239
where: short stacking energy: -152.439
Base-Backbone interact. energy: -0.209
local terms energy: -220.211561
where:
bonds (distance) C4'-P energy: -59.315
bonds (distance) P-C4' energy: -58.700
flat angles C4'-P-C4' energy: -39.666
flat angles P-C4'-P energy: -35.984
tors. eta vs tors. theta energy: -26.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -290.056840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.056840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.056840 (E_RNA)
where:
Base-Base interactions energy: -102.766
where: short stacking energy: -86.886
Base-Backbone interact. energy: 2.126
local terms energy: -189.416467
where:
bonds (distance) C4'-P energy: -58.250
bonds (distance) P-C4' energy: -46.419
flat angles C4'-P-C4' energy: -49.252
flat angles P-C4'-P energy: -36.336
tors. eta vs tors. theta energy: 0.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -281.787594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.787594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.787594 (E_RNA)
where:
Base-Base interactions energy: -93.246
where: short stacking energy: -72.425
Base-Backbone interact. energy: 0.714
local terms energy: -189.254900
where:
bonds (distance) C4'-P energy: -55.263
bonds (distance) P-C4' energy: -62.374
flat angles C4'-P-C4' energy: -41.611
flat angles P-C4'-P energy: -38.594
tors. eta vs tors. theta energy: 8.588
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: 1, replica: 1
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -1112.558966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.558966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.558966 (E_RNA)
where:
Base-Base interactions energy: -750.062
where: short stacking energy: -346.833
Base-Backbone interact. energy: -1.013
local terms energy: -361.484157
where:
bonds (distance) C4'-P energy: -62.930
bonds (distance) P-C4' energy: -68.801
flat angles C4'-P-C4' energy: -74.817
flat angles P-C4'-P energy: -51.119
tors. eta vs tors. theta energy: -103.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -1075.793718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.793718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.793718 (E_RNA)
where:
Base-Base interactions energy: -740.004
where: short stacking energy: -316.790
Base-Backbone interact. energy: 0.127
local terms energy: -335.916731
where:
bonds (distance) C4'-P energy: -66.547
bonds (distance) P-C4' energy: -62.646
flat angles C4'-P-C4' energy: -74.182
flat angles P-C4'-P energy: -47.644
tors. eta vs tors. theta energy: -84.898
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: 9
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -983.230479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.230479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.230479 (E_RNA)
where:
Base-Base interactions energy: -660.046
where: short stacking energy: -299.582
Base-Backbone interact. energy: -0.286
local terms energy: -322.898461
where:
bonds (distance) C4'-P energy: -57.294
bonds (distance) P-C4' energy: -69.347
flat angles C4'-P-C4' energy: -69.886
flat angles P-C4'-P energy: -52.855
tors. eta vs tors. theta energy: -73.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -909.580934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.580934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.580934 (E_RNA)
where:
Base-Base interactions energy: -595.984
where: short stacking energy: -274.352
Base-Backbone interact. energy: -0.847
local terms energy: -312.750444
where:
bonds (distance) C4'-P energy: -58.990
bonds (distance) P-C4' energy: -62.331
flat angles C4'-P-C4' energy: -76.525
flat angles P-C4'-P energy: -42.183
tors. eta vs tors. theta energy: -72.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -900.650088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.650088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.650088 (E_RNA)
where:
Base-Base interactions energy: -595.803
where: short stacking energy: -256.085
Base-Backbone interact. energy: 0.359
local terms energy: -305.205442
where:
bonds (distance) C4'-P energy: -67.067
bonds (distance) P-C4' energy: -60.959
flat angles C4'-P-C4' energy: -71.792
flat angles P-C4'-P energy: -33.866
tors. eta vs tors. theta energy: -71.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -812.433810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.433810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.433810 (E_RNA)
where:
Base-Base interactions energy: -544.476
where: short stacking energy: -228.508
Base-Backbone interact. energy: 2.097
local terms energy: -270.054887
where:
bonds (distance) C4'-P energy: -53.387
bonds (distance) P-C4' energy: -54.480
flat angles C4'-P-C4' energy: -69.349
flat angles P-C4'-P energy: -32.944
tors. eta vs tors. theta energy: -59.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -694.419225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.419225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.419225 (E_RNA)
where:
Base-Base interactions energy: -433.408
where: short stacking energy: -198.489
Base-Backbone interact. energy: -0.776
local terms energy: -260.234550
where:
bonds (distance) C4'-P energy: -53.263
bonds (distance) P-C4' energy: -55.657
flat angles C4'-P-C4' energy: -62.014
flat angles P-C4'-P energy: -40.460
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: 8, replica: 5
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -508.140185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.140185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.140185 (E_RNA)
where:
Base-Base interactions energy: -306.751
where: short stacking energy: -145.151
Base-Backbone interact. energy: -1.787
local terms energy: -199.602277
where:
bonds (distance) C4'-P energy: -57.521
bonds (distance) P-C4' energy: -48.561
flat angles C4'-P-C4' energy: -49.401
flat angles P-C4'-P energy: -37.616
tors. eta vs tors. theta energy: -6.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -299.168611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.168611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.168611 (E_RNA)
where:
Base-Base interactions energy: -107.545
where: short stacking energy: -99.122
Base-Backbone interact. energy: -0.467
local terms energy: -191.155679
where:
bonds (distance) C4'-P energy: -47.957
bonds (distance) P-C4' energy: -69.378
flat angles C4'-P-C4' energy: -48.978
flat angles P-C4'-P energy: -26.617
tors. eta vs tors. theta energy: 1.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -271.100814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.100814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.100814 (E_RNA)
where:
Base-Base interactions energy: -94.624
where: short stacking energy: -67.220
Base-Backbone interact. energy: -0.663
local terms energy: -175.813702
where:
bonds (distance) C4'-P energy: -49.326
bonds (distance) P-C4' energy: -50.600
flat angles C4'-P-C4' energy: -42.166
flat angles P-C4'-P energy: -39.202
tors. eta vs tors. theta energy: 5.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -1106.239872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.239872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.239872 (E_RNA)
where:
Base-Base interactions energy: -737.113
where: short stacking energy: -355.461
Base-Backbone interact. energy: -0.333
local terms energy: -368.793891
where:
bonds (distance) C4'-P energy: -62.076
bonds (distance) P-C4' energy: -72.033
flat angles C4'-P-C4' energy: -75.635
flat angles P-C4'-P energy: -55.260
tors. eta vs tors. theta energy: -103.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -1075.093371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.093371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.093371 (E_RNA)
where:
Base-Base interactions energy: -743.710
where: short stacking energy: -319.264
Base-Backbone interact. energy: -1.280
local terms energy: -330.102977
where:
bonds (distance) C4'-P energy: -67.916
bonds (distance) P-C4' energy: -61.454
flat angles C4'-P-C4' energy: -65.550
flat angles P-C4'-P energy: -51.620
tors. eta vs tors. theta energy: -83.563
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: 9
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -989.283090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.283090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.283090 (E_RNA)
where:
Base-Base interactions energy: -654.917
where: short stacking energy: -302.538
Base-Backbone interact. energy: -2.203
local terms energy: -332.163061
where:
bonds (distance) C4'-P energy: -62.602
bonds (distance) P-C4' energy: -65.798
flat angles C4'-P-C4' energy: -75.495
flat angles P-C4'-P energy: -50.726
tors. eta vs tors. theta energy: -77.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -933.731979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.731979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.731979 (E_RNA)
where:
Base-Base interactions energy: -636.881
where: short stacking energy: -291.461
Base-Backbone interact. energy: -0.855
local terms energy: -295.995743
where:
bonds (distance) C4'-P energy: -57.057
bonds (distance) P-C4' energy: -51.716
flat angles C4'-P-C4' energy: -73.000
flat angles P-C4'-P energy: -29.801
tors. eta vs tors. theta energy: -84.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -858.500676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.500676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.500676 (E_RNA)
where:
Base-Base interactions energy: -568.975
where: short stacking energy: -266.847
Base-Backbone interact. energy: -1.330
local terms energy: -288.195201
where:
bonds (distance) C4'-P energy: -59.233
bonds (distance) P-C4' energy: -55.936
flat angles C4'-P-C4' energy: -61.188
flat angles P-C4'-P energy: -47.811
tors. eta vs tors. theta energy: -64.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -794.301840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.301840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.301840 (E_RNA)
where:
Base-Base interactions energy: -544.579
where: short stacking energy: -236.138
Base-Backbone interact. energy: -0.588
local terms energy: -249.134852
where:
bonds (distance) C4'-P energy: -54.998
bonds (distance) P-C4' energy: -49.541
flat angles C4'-P-C4' energy: -53.761
flat angles P-C4'-P energy: -39.722
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: 7, replica: 10
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -700.063703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.063703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.063703 (E_RNA)
where:
Base-Base interactions energy: -429.287
where: short stacking energy: -203.154
Base-Backbone interact. energy: -2.911
local terms energy: -267.865668
where:
bonds (distance) C4'-P energy: -62.545
bonds (distance) P-C4' energy: -54.914
flat angles C4'-P-C4' energy: -64.768
flat angles P-C4'-P energy: -33.981
tors. eta vs tors. theta energy: -51.658
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: 5
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -560.276720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.276720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.276720 (E_RNA)
where:
Base-Base interactions energy: -331.155
where: short stacking energy: -178.815
Base-Backbone interact. energy: -1.539
local terms energy: -227.582656
where:
bonds (distance) C4'-P energy: -54.136
bonds (distance) P-C4' energy: -53.396
flat angles C4'-P-C4' energy: -51.218
flat angles P-C4'-P energy: -32.790
tors. eta vs tors. theta energy: -36.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -334.046953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.046953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.046953 (E_RNA)
where:
Base-Base interactions energy: -141.784
where: short stacking energy: -86.424
Base-Backbone interact. energy: 2.162
local terms energy: -194.424904
where:
bonds (distance) C4'-P energy: -53.722
bonds (distance) P-C4' energy: -60.710
flat angles C4'-P-C4' energy: -55.265
flat angles P-C4'-P energy: -37.104
tors. eta vs tors. theta energy: 12.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -287.611533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.611533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.611533 (E_RNA)
where:
Base-Base interactions energy: -107.722
where: short stacking energy: -86.161
Base-Backbone interact. energy: -1.397
local terms energy: -178.492522
where:
bonds (distance) C4'-P energy: -54.135
bonds (distance) P-C4' energy: -59.190
flat angles C4'-P-C4' energy: -43.142
flat angles P-C4'-P energy: -23.978
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: 1
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -1122.811977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.811977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.811977 (E_RNA)
where:
Base-Base interactions energy: -748.718
where: short stacking energy: -363.039
Base-Backbone interact. energy: -0.208
local terms energy: -373.886140
where:
bonds (distance) C4'-P energy: -71.403
bonds (distance) P-C4' energy: -71.430
flat angles C4'-P-C4' energy: -72.211
flat angles P-C4'-P energy: -52.753
tors. eta vs tors. theta energy: -106.089
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: 2, replica: 8
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -1070.910084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.910084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.910084 (E_RNA)
where:
Base-Base interactions energy: -740.647
where: short stacking energy: -329.609
Base-Backbone interact. energy: -0.967
local terms energy: -329.296028
where:
bonds (distance) C4'-P energy: -62.799
bonds (distance) P-C4' energy: -57.238
flat angles C4'-P-C4' energy: -69.975
flat angles P-C4'-P energy: -49.530
tors. eta vs tors. theta energy: -89.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -976.473035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.473035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.473035 (E_RNA)
where:
Base-Base interactions energy: -640.268
where: short stacking energy: -293.099
Base-Backbone interact. energy: -4.191
local terms energy: -332.013317
where:
bonds (distance) C4'-P energy: -66.833
bonds (distance) P-C4' energy: -72.397
flat angles C4'-P-C4' energy: -73.700
flat angles P-C4'-P energy: -42.457
tors. eta vs tors. theta energy: -76.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -978.814758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.814758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.814758 (E_RNA)
where:
Base-Base interactions energy: -653.348
where: short stacking energy: -283.140
Base-Backbone interact. energy: -1.182
local terms energy: -324.284279
where:
bonds (distance) C4'-P energy: -66.175
bonds (distance) P-C4' energy: -51.317
flat angles C4'-P-C4' energy: -66.822
flat angles P-C4'-P energy: -48.091
tors. eta vs tors. theta energy: -91.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -873.845316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.845316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.845316 (E_RNA)
where:
Base-Base interactions energy: -584.269
where: short stacking energy: -254.527
Base-Backbone interact. energy: -1.701
local terms energy: -287.875351
where:
bonds (distance) C4'-P energy: -51.931
bonds (distance) P-C4' energy: -69.517
flat angles C4'-P-C4' energy: -61.585
flat angles P-C4'-P energy: -42.979
tors. eta vs tors. theta energy: -61.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -823.439799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.439799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.439799 (E_RNA)
where:
Base-Base interactions energy: -544.974
where: short stacking energy: -243.176
Base-Backbone interact. energy: -1.554
local terms energy: -276.911599
where:
bonds (distance) C4'-P energy: -55.123
bonds (distance) P-C4' energy: -61.557
flat angles C4'-P-C4' energy: -63.679
flat angles P-C4'-P energy: -36.028
tors. eta vs tors. theta energy: -60.523
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: 10
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -715.346414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.346414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.346414 (E_RNA)
where:
Base-Base interactions energy: -435.021
where: short stacking energy: -207.246
Base-Backbone interact. energy: -1.011
local terms energy: -279.314298
where:
bonds (distance) C4'-P energy: -58.306
bonds (distance) P-C4' energy: -45.142
flat angles C4'-P-C4' energy: -67.750
flat angles P-C4'-P energy: -44.747
tors. eta vs tors. theta energy: -63.369
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: 84
Temperature: 1.250000
Total energy: -537.728240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.728240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.728240 (E_RNA)
where:
Base-Base interactions energy: -313.410
where: short stacking energy: -159.107
Base-Backbone interact. energy: -1.467
local terms energy: -222.851063
where:
bonds (distance) C4'-P energy: -55.053
bonds (distance) P-C4' energy: -52.693
flat angles C4'-P-C4' energy: -55.687
flat angles P-C4'-P energy: -34.370
tors. eta vs tors. theta energy: -25.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -345.382089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.382089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.382089 (E_RNA)
where:
Base-Base interactions energy: -156.804
where: short stacking energy: -107.137
Base-Backbone interact. energy: -0.077
local terms energy: -188.500616
where:
bonds (distance) C4'-P energy: -48.987
bonds (distance) P-C4' energy: -51.492
flat angles C4'-P-C4' energy: -56.479
flat angles P-C4'-P energy: -32.659
tors. eta vs tors. theta energy: 1.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -287.145687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.145687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.145687 (E_RNA)
where:
Base-Base interactions energy: -109.409
where: short stacking energy: -87.274
Base-Backbone interact. energy: 2.019
local terms energy: -179.755238
where:
bonds (distance) C4'-P energy: -48.974
bonds (distance) P-C4' energy: -63.760
flat angles C4'-P-C4' energy: -42.380
flat angles P-C4'-P energy: -34.089
tors. eta vs tors. theta energy: 9.448
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: 1, replica: 1
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -1119.091575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.091575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.091575 (E_RNA)
where:
Base-Base interactions energy: -752.211
where: short stacking energy: -329.099
Base-Backbone interact. energy: -0.878
local terms energy: -366.002215
where:
bonds (distance) C4'-P energy: -58.657
bonds (distance) P-C4' energy: -71.451
flat angles C4'-P-C4' energy: -76.727
flat angles P-C4'-P energy: -55.773
tors. eta vs tors. theta energy: -103.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -1066.204712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.204712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.204712 (E_RNA)
where:
Base-Base interactions energy: -716.868
where: short stacking energy: -319.998
Base-Backbone interact. energy: -2.083
local terms energy: -347.253159
where:
bonds (distance) C4'-P energy: -62.315
bonds (distance) P-C4' energy: -74.028
flat angles C4'-P-C4' energy: -70.867
flat angles P-C4'-P energy: -52.583
tors. eta vs tors. theta energy: -87.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -953.817573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.817573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.817573 (E_RNA)
where:
Base-Base interactions energy: -641.724
where: short stacking energy: -292.487
Base-Backbone interact. energy: -2.845
local terms energy: -309.248678
where:
bonds (distance) C4'-P energy: -59.115
bonds (distance) P-C4' energy: -59.489
flat angles C4'-P-C4' energy: -67.502
flat angles P-C4'-P energy: -43.635
tors. eta vs tors. theta energy: -79.508
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: 3
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -984.306575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.306575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.306575 (E_RNA)
where:
Base-Base interactions energy: -660.127
where: short stacking energy: -307.515
Base-Backbone interact. energy: -0.389
local terms energy: -323.791359
where:
bonds (distance) C4'-P energy: -48.171
bonds (distance) P-C4' energy: -68.861
flat angles C4'-P-C4' energy: -59.392
flat angles P-C4'-P energy: -54.480
tors. eta vs tors. theta energy: -92.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -864.176627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.176627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.176627 (E_RNA)
where:
Base-Base interactions energy: -595.035
where: short stacking energy: -250.067
Base-Backbone interact. energy: 2.490
local terms energy: -271.631473
where:
bonds (distance) C4'-P energy: -51.960
bonds (distance) P-C4' energy: -60.699
flat angles C4'-P-C4' energy: -49.199
flat angles P-C4'-P energy: -49.104
tors. eta vs tors. theta energy: -60.669
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: 4
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -753.124613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.124613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.124613 (E_RNA)
where:
Base-Base interactions energy: -501.276
where: short stacking energy: -196.310
Base-Backbone interact. energy: -1.291
local terms energy: -250.557650
where:
bonds (distance) C4'-P energy: -66.774
bonds (distance) P-C4' energy: -57.104
flat angles C4'-P-C4' energy: -54.604
flat angles P-C4'-P energy: -31.309
tors. eta vs tors. theta energy: -40.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -699.745940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.745940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.745940 (E_RNA)
where:
Base-Base interactions energy: -455.271
where: short stacking energy: -195.776
Base-Backbone interact. energy: 0.305
local terms energy: -244.779043
where:
bonds (distance) C4'-P energy: -59.196
bonds (distance) P-C4' energy: -56.190
flat angles C4'-P-C4' energy: -58.776
flat angles P-C4'-P energy: -36.080
tors. eta vs tors. theta energy: -34.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -527.971114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.971114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.971114 (E_RNA)
where:
Base-Base interactions energy: -321.968
where: short stacking energy: -176.001
Base-Backbone interact. energy: 0.147
local terms energy: -206.149789
where:
bonds (distance) C4'-P energy: -39.599
bonds (distance) P-C4' energy: -56.213
flat angles C4'-P-C4' energy: -62.817
flat angles P-C4'-P energy: -22.396
tors. eta vs tors. theta energy: -25.124
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: 7
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -296.242134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.242134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.242134 (E_RNA)
where:
Base-Base interactions energy: -110.152
where: short stacking energy: -85.478
Base-Backbone interact. energy: 0.510
local terms energy: -186.599767
where:
bonds (distance) C4'-P energy: -53.791
bonds (distance) P-C4' energy: -51.657
flat angles C4'-P-C4' energy: -45.589
flat angles P-C4'-P energy: -33.865
tors. eta vs tors. theta energy: -1.698
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: 6
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -301.322320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.322320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.322320 (E_RNA)
where:
Base-Base interactions energy: -139.382
where: short stacking energy: -86.919
Base-Backbone interact. energy: -0.894
local terms energy: -161.045997
where:
bonds (distance) C4'-P energy: -39.492
bonds (distance) P-C4' energy: -58.366
flat angles C4'-P-C4' energy: -50.149
flat angles P-C4'-P energy: -28.375
tors. eta vs tors. theta energy: 15.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -1120.593569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.593569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.593569 (E_RNA)
where:
Base-Base interactions energy: -758.498
where: short stacking energy: -338.038
Base-Backbone interact. energy: 0.792
local terms energy: -362.886634
where:
bonds (distance) C4'-P energy: -60.520
bonds (distance) P-C4' energy: -70.233
flat angles C4'-P-C4' energy: -72.361
flat angles P-C4'-P energy: -53.574
tors. eta vs tors. theta energy: -106.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -1076.898404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.898404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.898404 (E_RNA)
where:
Base-Base interactions energy: -731.797
where: short stacking energy: -321.239
Base-Backbone interact. energy: 0.001
local terms energy: -345.102311
where:
bonds (distance) C4'-P energy: -68.779
bonds (distance) P-C4' energy: -66.054
flat angles C4'-P-C4' energy: -78.889
flat angles P-C4'-P energy: -45.119
tors. eta vs tors. theta energy: -86.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -981.437826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.437826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.437826 (E_RNA)
where:
Base-Base interactions energy: -639.389
where: short stacking energy: -297.290
Base-Backbone interact. energy: 1.178
local terms energy: -343.226855
where:
bonds (distance) C4'-P energy: -71.153
bonds (distance) P-C4' energy: -61.360
flat angles C4'-P-C4' energy: -72.266
flat angles P-C4'-P energy: -52.630
tors. eta vs tors. theta energy: -85.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -917.508368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.508368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.508368 (E_RNA)
where:
Base-Base interactions energy: -617.756
where: short stacking energy: -283.326
Base-Backbone interact. energy: -0.180
local terms energy: -299.572865
where:
bonds (distance) C4'-P energy: -48.812
bonds (distance) P-C4' energy: -66.661
flat angles C4'-P-C4' energy: -71.428
flat angles P-C4'-P energy: -36.296
tors. eta vs tors. theta energy: -76.376
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: 2
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -875.764124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.764124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.764124 (E_RNA)
where:
Base-Base interactions energy: -603.578
where: short stacking energy: -248.519
Base-Backbone interact. energy: -2.985
local terms energy: -269.200822
where:
bonds (distance) C4'-P energy: -50.228
bonds (distance) P-C4' energy: -46.373
flat angles C4'-P-C4' energy: -71.038
flat angles P-C4'-P energy: -34.268
tors. eta vs tors. theta energy: -67.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -706.095861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.095861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.095861 (E_RNA)
where:
Base-Base interactions energy: -449.929
where: short stacking energy: -209.604
Base-Backbone interact. energy: -0.597
local terms energy: -255.569333
where:
bonds (distance) C4'-P energy: -50.815
bonds (distance) P-C4' energy: -60.389
flat angles C4'-P-C4' energy: -60.772
flat angles P-C4'-P energy: -29.531
tors. eta vs tors. theta energy: -54.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -732.998194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.998194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.998194 (E_RNA)
where:
Base-Base interactions energy: -463.508
where: short stacking energy: -204.577
Base-Backbone interact. energy: 4.581
local terms energy: -274.071087
where:
bonds (distance) C4'-P energy: -60.351
bonds (distance) P-C4' energy: -61.371
flat angles C4'-P-C4' energy: -61.234
flat angles P-C4'-P energy: -44.437
tors. eta vs tors. theta energy: -46.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -549.080034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.080034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.080034 (E_RNA)
where:
Base-Base interactions energy: -317.117
where: short stacking energy: -168.256
Base-Backbone interact. energy: -0.803
local terms energy: -231.160304
where:
bonds (distance) C4'-P energy: -54.151
bonds (distance) P-C4' energy: -66.948
flat angles C4'-P-C4' energy: -54.492
flat angles P-C4'-P energy: -26.715
tors. eta vs tors. theta energy: -28.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -355.450370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.450370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.450370 (E_RNA)
where:
Base-Base interactions energy: -172.644
where: short stacking energy: -117.147
Base-Backbone interact. energy: 2.163
local terms energy: -184.968630
where:
bonds (distance) C4'-P energy: -49.022
bonds (distance) P-C4' energy: -52.771
flat angles C4'-P-C4' energy: -43.431
flat angles P-C4'-P energy: -38.356
tors. eta vs tors. theta energy: -1.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -287.460915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.460915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.460915 (E_RNA)
where:
Base-Base interactions energy: -112.748
where: short stacking energy: -83.539
Base-Backbone interact. energy: 0.785
local terms energy: -175.498563
where:
bonds (distance) C4'-P energy: -61.441
bonds (distance) P-C4' energy: -51.780
flat angles C4'-P-C4' energy: -33.270
flat angles P-C4'-P energy: -39.077
tors. eta vs tors. theta energy: 10.068
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: 1, replica: 1
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -1111.832591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.832591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.832591 (E_RNA)
where:
Base-Base interactions energy: -750.719
where: short stacking energy: -355.619
Base-Backbone interact. energy: -0.818
local terms energy: -360.295499
where:
bonds (distance) C4'-P energy: -68.511
bonds (distance) P-C4' energy: -62.864
flat angles C4'-P-C4' energy: -74.236
flat angles P-C4'-P energy: -52.034
tors. eta vs tors. theta energy: -102.651
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: 2, replica: 8
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -1065.340518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.340518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.340518 (E_RNA)
where:
Base-Base interactions energy: -717.472
where: short stacking energy: -326.508
Base-Backbone interact. energy: -0.333
local terms energy: -347.535710
where:
bonds (distance) C4'-P energy: -63.723
bonds (distance) P-C4' energy: -59.085
flat angles C4'-P-C4' energy: -80.585
flat angles P-C4'-P energy: -51.718
tors. eta vs tors. theta energy: -92.425
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: 3, replica: 3
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -1029.655502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.655502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.655502 (E_RNA)
where:
Base-Base interactions energy: -682.135
where: short stacking energy: -328.012
Base-Backbone interact. energy: -0.471
local terms energy: -347.050233
where:
bonds (distance) C4'-P energy: -60.586
bonds (distance) P-C4' energy: -68.970
flat angles C4'-P-C4' energy: -70.910
flat angles P-C4'-P energy: -47.735
tors. eta vs tors. theta energy: -98.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -941.628576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.628576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.628576 (E_RNA)
where:
Base-Base interactions energy: -623.815
where: short stacking energy: -274.018
Base-Backbone interact. energy: -1.387
local terms energy: -316.425761
where:
bonds (distance) C4'-P energy: -64.437
bonds (distance) P-C4' energy: -65.319
flat angles C4'-P-C4' energy: -73.581
flat angles P-C4'-P energy: -41.814
tors. eta vs tors. theta energy: -71.275
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: 5, replica: 2
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -884.458450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.458450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.458450 (E_RNA)
where:
Base-Base interactions energy: -588.949
where: short stacking energy: -278.047
Base-Backbone interact. energy: -1.182
local terms energy: -294.327308
where:
bonds (distance) C4'-P energy: -56.684
bonds (distance) P-C4' energy: -58.396
flat angles C4'-P-C4' energy: -71.595
flat angles P-C4'-P energy: -35.434
tors. eta vs tors. theta energy: -72.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -725.691628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.691628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.691628 (E_RNA)
where:
Base-Base interactions energy: -461.975
where: short stacking energy: -211.203
Base-Backbone interact. energy: -0.078
local terms energy: -263.639130
where:
bonds (distance) C4'-P energy: -46.861
bonds (distance) P-C4' energy: -56.578
flat angles C4'-P-C4' energy: -59.956
flat angles P-C4'-P energy: -41.316
tors. eta vs tors. theta energy: -58.928
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: 7, replica: 4
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -713.291997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.291997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.291997 (E_RNA)
where:
Base-Base interactions energy: -476.574
where: short stacking energy: -223.323
Base-Backbone interact. energy: -1.267
local terms energy: -235.451308
where:
bonds (distance) C4'-P energy: -54.056
bonds (distance) P-C4' energy: -61.859
flat angles C4'-P-C4' energy: -51.671
flat angles P-C4'-P energy: -20.983
tors. eta vs tors. theta energy: -46.883
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: 5
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -574.008700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.008700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.008700 (E_RNA)
where:
Base-Base interactions energy: -342.820
where: short stacking energy: -163.050
Base-Backbone interact. energy: -2.703
local terms energy: -228.486112
where:
bonds (distance) C4'-P energy: -53.922
bonds (distance) P-C4' energy: -56.681
flat angles C4'-P-C4' energy: -57.578
flat angles P-C4'-P energy: -41.764
tors. eta vs tors. theta energy: -18.541
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: 6
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -398.514608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.514608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.514608 (E_RNA)
where:
Base-Base interactions energy: -198.121
where: short stacking energy: -122.222
Base-Backbone interact. energy: 0.222
local terms energy: -200.615512
where:
bonds (distance) C4'-P energy: -50.548
bonds (distance) P-C4' energy: -54.571
flat angles C4'-P-C4' energy: -60.926
flat angles P-C4'-P energy: -30.370
tors. eta vs tors. theta energy: -4.201
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: 10, replica: 7
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -309.121631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.121631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.121631 (E_RNA)
where:
Base-Base interactions energy: -109.883
where: short stacking energy: -96.536
Base-Backbone interact. energy: -0.065
local terms energy: -199.173238
where:
bonds (distance) C4'-P energy: -57.973
bonds (distance) P-C4' energy: -57.757
flat angles C4'-P-C4' energy: -52.149
flat angles P-C4'-P energy: -29.347
tors. eta vs tors. theta energy: -1.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -1122.021638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.021638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.021638 (E_RNA)
where:
Base-Base interactions energy: -754.730
where: short stacking energy: -338.456
Base-Backbone interact. energy: -0.472
local terms energy: -366.818916
where:
bonds (distance) C4'-P energy: -63.356
bonds (distance) P-C4' energy: -73.408
flat angles C4'-P-C4' energy: -73.199
flat angles P-C4'-P energy: -52.783
tors. eta vs tors. theta energy: -104.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -1081.974817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.974817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.974817 (E_RNA)
where:
Base-Base interactions energy: -743.427
where: short stacking energy: -323.877
Base-Backbone interact. energy: 0.130
local terms energy: -338.677697
where:
bonds (distance) C4'-P energy: -63.756
bonds (distance) P-C4' energy: -54.123
flat angles C4'-P-C4' energy: -71.576
flat angles P-C4'-P energy: -56.417
tors. eta vs tors. theta energy: -92.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -991.978547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.978547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.978547 (E_RNA)
where:
Base-Base interactions energy: -670.457
where: short stacking energy: -306.679
Base-Backbone interact. energy: -1.102
local terms energy: -320.419805
where:
bonds (distance) C4'-P energy: -54.779
bonds (distance) P-C4' energy: -64.145
flat angles C4'-P-C4' energy: -69.149
flat angles P-C4'-P energy: -44.598
tors. eta vs tors. theta energy: -87.750
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: 4, replica: 9
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -917.470852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.470852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.470852 (E_RNA)
where:
Base-Base interactions energy: -606.069
where: short stacking energy: -281.097
Base-Backbone interact. energy: -0.696
local terms energy: -310.705559
where:
bonds (distance) C4'-P energy: -58.076
bonds (distance) P-C4' energy: -67.422
flat angles C4'-P-C4' energy: -75.491
flat angles P-C4'-P energy: -38.055
tors. eta vs tors. theta energy: -71.661
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: 5, replica: 10
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -803.348929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.348929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.348929 (E_RNA)
where:
Base-Base interactions energy: -519.292
where: short stacking energy: -255.629
Base-Backbone interact. energy: -1.367
local terms energy: -282.689339
where:
bonds (distance) C4'-P energy: -51.315
bonds (distance) P-C4' energy: -64.031
flat angles C4'-P-C4' energy: -63.878
flat angles P-C4'-P energy: -29.937
tors. eta vs tors. theta energy: -73.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -841.644177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.644177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.644177 (E_RNA)
where:
Base-Base interactions energy: -562.190
where: short stacking energy: -255.193
Base-Backbone interact. energy: -3.210
local terms energy: -276.243723
where:
bonds (distance) C4'-P energy: -52.401
bonds (distance) P-C4' energy: -65.636
flat angles C4'-P-C4' energy: -53.470
flat angles P-C4'-P energy: -43.046
tors. eta vs tors. theta energy: -61.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -638.858279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.858279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.858279 (E_RNA)
where:
Base-Base interactions energy: -394.905
where: short stacking energy: -178.197
Base-Backbone interact. energy: 2.904
local terms energy: -246.857351
where:
bonds (distance) C4'-P energy: -57.485
bonds (distance) P-C4' energy: -61.517
flat angles C4'-P-C4' energy: -57.199
flat angles P-C4'-P energy: -36.926
tors. eta vs tors. theta energy: -33.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -556.566557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.566557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.566557 (E_RNA)
where:
Base-Base interactions energy: -319.708
where: short stacking energy: -165.810
Base-Backbone interact. energy: -1.923
local terms energy: -234.936300
where:
bonds (distance) C4'-P energy: -48.208
bonds (distance) P-C4' energy: -56.853
flat angles C4'-P-C4' energy: -59.860
flat angles P-C4'-P energy: -37.221
tors. eta vs tors. theta energy: -32.794
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: 6
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -404.666984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.666984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.666984 (E_RNA)
where:
Base-Base interactions energy: -213.765
where: short stacking energy: -118.972
Base-Backbone interact. energy: 2.572
local terms energy: -193.474372
where:
bonds (distance) C4'-P energy: -45.948
bonds (distance) P-C4' energy: -59.841
flat angles C4'-P-C4' energy: -51.904
flat angles P-C4'-P energy: -38.366
tors. eta vs tors. theta energy: 2.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -284.260699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.260699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.260699 (E_RNA)
where:
Base-Base interactions energy: -113.456
where: short stacking energy: -95.961
Base-Backbone interact. energy: -1.136
local terms energy: -169.668448
where:
bonds (distance) C4'-P energy: -60.324
bonds (distance) P-C4' energy: -46.542
flat angles C4'-P-C4' energy: -43.701
flat angles P-C4'-P energy: -23.336
tors. eta vs tors. theta energy: 4.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -1125.444464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.444464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.444464 (E_RNA)
where:
Base-Base interactions energy: -748.464
where: short stacking energy: -355.715
Base-Backbone interact. energy: -0.926
local terms energy: -376.054912
where:
bonds (distance) C4'-P energy: -68.612
bonds (distance) P-C4' energy: -72.939
flat angles C4'-P-C4' energy: -75.298
flat angles P-C4'-P energy: -51.862
tors. eta vs tors. theta energy: -107.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -1094.536565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.536565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.536565 (E_RNA)
where:
Base-Base interactions energy: -760.406
where: short stacking energy: -319.911
Base-Backbone interact. energy: -1.385
local terms energy: -332.745724
where:
bonds (distance) C4'-P energy: -52.749
bonds (distance) P-C4' energy: -60.069
flat angles C4'-P-C4' energy: -70.804
flat angles P-C4'-P energy: -55.734
tors. eta vs tors. theta energy: -93.390
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: 3
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -1031.339490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.339490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.339490 (E_RNA)
where:
Base-Base interactions energy: -700.204
where: short stacking energy: -308.829
Base-Backbone interact. energy: 1.672
local terms energy: -332.807972
where:
bonds (distance) C4'-P energy: -62.338
bonds (distance) P-C4' energy: -67.493
flat angles C4'-P-C4' energy: -66.633
flat angles P-C4'-P energy: -47.739
tors. eta vs tors. theta energy: -88.606
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: 9
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -893.644091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.644091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.644091 (E_RNA)
where:
Base-Base interactions energy: -598.306
where: short stacking energy: -288.008
Base-Backbone interact. energy: -0.077
local terms energy: -295.260596
where:
bonds (distance) C4'-P energy: -55.058
bonds (distance) P-C4' energy: -55.816
flat angles C4'-P-C4' energy: -69.559
flat angles P-C4'-P energy: -43.476
tors. eta vs tors. theta energy: -71.350
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: 10
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -789.242081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.242081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.242081 (E_RNA)
where:
Base-Base interactions energy: -501.332
where: short stacking energy: -243.691
Base-Backbone interact. energy: -0.620
local terms energy: -287.289566
where:
bonds (distance) C4'-P energy: -60.416
bonds (distance) P-C4' energy: -63.202
flat angles C4'-P-C4' energy: -63.134
flat angles P-C4'-P energy: -36.193
tors. eta vs tors. theta energy: -64.345
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: 6, replica: 2
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -818.432939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.432939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.432939 (E_RNA)
where:
Base-Base interactions energy: -531.675
where: short stacking energy: -236.773
Base-Backbone interact. energy: -0.361
local terms energy: -286.396558
where:
bonds (distance) C4'-P energy: -63.721
bonds (distance) P-C4' energy: -58.679
flat angles C4'-P-C4' energy: -57.946
flat angles P-C4'-P energy: -46.588
tors. eta vs tors. theta energy: -59.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -641.582208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.582208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.582208 (E_RNA)
where:
Base-Base interactions energy: -390.612
where: short stacking energy: -194.164
Base-Backbone interact. energy: -2.384
local terms energy: -248.586503
where:
bonds (distance) C4'-P energy: -59.135
bonds (distance) P-C4' energy: -48.447
flat angles C4'-P-C4' energy: -58.193
flat angles P-C4'-P energy: -33.910
tors. eta vs tors. theta energy: -48.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -522.375543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.375543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.375543 (E_RNA)
where:
Base-Base interactions energy: -325.187
where: short stacking energy: -128.796
Base-Backbone interact. energy: 0.868
local terms energy: -198.057006
where:
bonds (distance) C4'-P energy: -50.488
bonds (distance) P-C4' energy: -62.648
flat angles C4'-P-C4' energy: -42.781
flat angles P-C4'-P energy: -20.250
tors. eta vs tors. theta energy: -21.889
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: 6
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -414.789395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.789395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.789395 (E_RNA)
where:
Base-Base interactions energy: -204.744
where: short stacking energy: -131.258
Base-Backbone interact. energy: 0.254
local terms energy: -210.299889
where:
bonds (distance) C4'-P energy: -57.647
bonds (distance) P-C4' energy: -57.072
flat angles C4'-P-C4' energy: -46.640
flat angles P-C4'-P energy: -28.744
tors. eta vs tors. theta energy: -20.197
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: 7
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -287.873715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.873715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.873715 (E_RNA)
where:
Base-Base interactions energy: -96.199
where: short stacking energy: -92.616
Base-Backbone interact. energy: 8.585
local terms energy: -200.259288
where:
bonds (distance) C4'-P energy: -66.742
bonds (distance) P-C4' energy: -59.648
flat angles C4'-P-C4' energy: -49.279
flat angles P-C4'-P energy: -28.363
tors. eta vs tors. theta energy: 3.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -1120.830091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.830091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.830091 (E_RNA)
where:
Base-Base interactions energy: -745.574
where: short stacking energy: -359.023
Base-Backbone interact. energy: 0.888
local terms energy: -376.144217
where:
bonds (distance) C4'-P energy: -70.816
bonds (distance) P-C4' energy: -67.804
flat angles C4'-P-C4' energy: -78.793
flat angles P-C4'-P energy: -48.844
tors. eta vs tors. theta energy: -109.888
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: 8
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -1117.802208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.802208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.802208 (E_RNA)
where:
Base-Base interactions energy: -778.986
where: short stacking energy: -342.250
Base-Backbone interact. energy: -0.215
local terms energy: -338.601694
where:
bonds (distance) C4'-P energy: -52.557
bonds (distance) P-C4' energy: -64.859
flat angles C4'-P-C4' energy: -76.260
flat angles P-C4'-P energy: -48.448
tors. eta vs tors. theta energy: -96.477
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: 3
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -1002.852407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.852407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.852407 (E_RNA)
where:
Base-Base interactions energy: -656.154
where: short stacking energy: -303.825
Base-Backbone interact. energy: -1.096
local terms energy: -345.603039
where:
bonds (distance) C4'-P energy: -72.071
bonds (distance) P-C4' energy: -64.687
flat angles C4'-P-C4' energy: -70.436
flat angles P-C4'-P energy: -48.134
tors. eta vs tors. theta energy: -90.274
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: 9
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -929.937926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.937926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.937926 (E_RNA)
where:
Base-Base interactions energy: -623.126
where: short stacking energy: -274.319
Base-Backbone interact. energy: -1.339
local terms energy: -305.473095
where:
bonds (distance) C4'-P energy: -54.880
bonds (distance) P-C4' energy: -55.385
flat angles C4'-P-C4' energy: -72.908
flat angles P-C4'-P energy: -46.117
tors. eta vs tors. theta energy: -76.183
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: 2
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -837.793753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.793753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.793753 (E_RNA)
where:
Base-Base interactions energy: -563.777
where: short stacking energy: -240.885
Base-Backbone interact. energy: -1.888
local terms energy: -272.129431
where:
bonds (distance) C4'-P energy: -58.363
bonds (distance) P-C4' energy: -65.304
flat angles C4'-P-C4' energy: -51.930
flat angles P-C4'-P energy: -36.090
tors. eta vs tors. theta energy: -60.443
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: 10
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -738.197891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.197891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.197891 (E_RNA)
where:
Base-Base interactions energy: -468.273
where: short stacking energy: -223.883
Base-Backbone interact. energy: -1.757
local terms energy: -268.168382
where:
bonds (distance) C4'-P energy: -55.556
bonds (distance) P-C4' energy: -62.731
flat angles C4'-P-C4' energy: -63.362
flat angles P-C4'-P energy: -35.541
tors. eta vs tors. theta energy: -50.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -622.929621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.929621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.929621 (E_RNA)
where:
Base-Base interactions energy: -380.521
where: short stacking energy: -185.827
Base-Backbone interact. energy: -0.441
local terms energy: -241.967645
where:
bonds (distance) C4'-P energy: -50.679
bonds (distance) P-C4' energy: -64.842
flat angles C4'-P-C4' energy: -58.216
flat angles P-C4'-P energy: -44.438
tors. eta vs tors. theta energy: -23.792
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: 8, replica: 5
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -525.728805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.728805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.728805 (E_RNA)
where:
Base-Base interactions energy: -289.174
where: short stacking energy: -155.697
Base-Backbone interact. energy: 5.824
local terms energy: -242.378557
where:
bonds (distance) C4'-P energy: -57.175
bonds (distance) P-C4' energy: -60.924
flat angles C4'-P-C4' energy: -64.433
flat angles P-C4'-P energy: -31.474
tors. eta vs tors. theta energy: -28.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -434.251408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.251408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.251408 (E_RNA)
where:
Base-Base interactions energy: -228.631
where: short stacking energy: -126.089
Base-Backbone interact. energy: -0.633
local terms energy: -204.987323
where:
bonds (distance) C4'-P energy: -48.053
bonds (distance) P-C4' energy: -64.880
flat angles C4'-P-C4' energy: -52.595
flat angles P-C4'-P energy: -28.782
tors. eta vs tors. theta energy: -10.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -271.436924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.436924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.436924 (E_RNA)
where:
Base-Base interactions energy: -92.105
where: short stacking energy: -74.301
Base-Backbone interact. energy: -2.606
local terms energy: -176.725864
where:
bonds (distance) C4'-P energy: -55.393
bonds (distance) P-C4' energy: -58.548
flat angles C4'-P-C4' energy: -40.322
flat angles P-C4'-P energy: -36.579
tors. eta vs tors. theta energy: 14.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -1103.213584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.213584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.213584 (E_RNA)
where:
Base-Base interactions energy: -743.384
where: short stacking energy: -344.567
Base-Backbone interact. energy: -2.697
local terms energy: -357.132919
where:
bonds (distance) C4'-P energy: -64.699
bonds (distance) P-C4' energy: -74.980
flat angles C4'-P-C4' energy: -63.723
flat angles P-C4'-P energy: -52.279
tors. eta vs tors. theta energy: -101.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -1111.322751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.322751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.322751 (E_RNA)
where:
Base-Base interactions energy: -776.738
where: short stacking energy: -340.842
Base-Backbone interact. energy: -1.081
local terms energy: -333.503654
where:
bonds (distance) C4'-P energy: -63.171
bonds (distance) P-C4' energy: -64.938
flat angles C4'-P-C4' energy: -71.556
flat angles P-C4'-P energy: -47.449
tors. eta vs tors. theta energy: -86.390
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: 3
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -985.625563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.625563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.625563 (E_RNA)
where:
Base-Base interactions energy: -662.012
where: short stacking energy: -293.254
Base-Backbone interact. energy: 0.929
local terms energy: -324.542516
where:
bonds (distance) C4'-P energy: -62.642
bonds (distance) P-C4' energy: -59.827
flat angles C4'-P-C4' energy: -77.395
flat angles P-C4'-P energy: -45.360
tors. eta vs tors. theta energy: -79.318
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: 4, replica: 2
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -892.997978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.997978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.997978 (E_RNA)
where:
Base-Base interactions energy: -585.520
where: short stacking energy: -270.465
Base-Backbone interact. energy: -2.037
local terms energy: -305.441588
where:
bonds (distance) C4'-P energy: -57.569
bonds (distance) P-C4' energy: -59.460
flat angles C4'-P-C4' energy: -73.475
flat angles P-C4'-P energy: -38.801
tors. eta vs tors. theta energy: -76.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -898.042183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.042183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.042183 (E_RNA)
where:
Base-Base interactions energy: -604.472
where: short stacking energy: -276.642
Base-Backbone interact. energy: -0.698
local terms energy: -292.872194
where:
bonds (distance) C4'-P energy: -58.856
bonds (distance) P-C4' energy: -62.108
flat angles C4'-P-C4' energy: -64.195
flat angles P-C4'-P energy: -38.303
tors. eta vs tors. theta energy: -69.410
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: 10
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -706.446933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.446933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.446933 (E_RNA)
where:
Base-Base interactions energy: -435.750
where: short stacking energy: -227.001
Base-Backbone interact. energy: -0.821
local terms energy: -269.876156
where:
bonds (distance) C4'-P energy: -62.192
bonds (distance) P-C4' energy: -63.163
flat angles C4'-P-C4' energy: -59.864
flat angles P-C4'-P energy: -31.091
tors. eta vs tors. theta energy: -53.566
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: 4
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -677.485237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.485237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.485237 (E_RNA)
where:
Base-Base interactions energy: -456.349
where: short stacking energy: -199.991
Base-Backbone interact. energy: 0.191
local terms energy: -221.327014
where:
bonds (distance) C4'-P energy: -43.638
bonds (distance) P-C4' energy: -49.542
flat angles C4'-P-C4' energy: -52.868
flat angles P-C4'-P energy: -39.689
tors. eta vs tors. theta energy: -35.591
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: 5
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -548.959396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.959396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.959396 (E_RNA)
where:
Base-Base interactions energy: -325.967
where: short stacking energy: -180.128
Base-Backbone interact. energy: -0.836
local terms energy: -222.156429
where:
bonds (distance) C4'-P energy: -53.399
bonds (distance) P-C4' energy: -64.488
flat angles C4'-P-C4' energy: -45.247
flat angles P-C4'-P energy: -41.018
tors. eta vs tors. theta energy: -18.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -406.079569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.079569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.079569 (E_RNA)
where:
Base-Base interactions energy: -211.536
where: short stacking energy: -109.955
Base-Backbone interact. energy: -1.640
local terms energy: -192.904116
where:
bonds (distance) C4'-P energy: -50.916
bonds (distance) P-C4' energy: -55.448
flat angles C4'-P-C4' energy: -51.895
flat angles P-C4'-P energy: -31.817
tors. eta vs tors. theta energy: -2.829
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: 7
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -279.609337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.609337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.609337 (E_RNA)
where:
Base-Base interactions energy: -112.293
where: short stacking energy: -97.576
Base-Backbone interact. energy: -1.060
local terms energy: -166.255852
where:
bonds (distance) C4'-P energy: -63.633
bonds (distance) P-C4' energy: -56.166
flat angles C4'-P-C4' energy: -47.539
flat angles P-C4'-P energy: -18.272
tors. eta vs tors. theta energy: 19.354
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: 1, replica: 8
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -1133.921696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.921696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.921696 (E_RNA)
where:
Base-Base interactions energy: -798.129
where: short stacking energy: -331.234
Base-Backbone interact. energy: -0.598
local terms energy: -335.195090
where:
bonds (distance) C4'-P energy: -59.594
bonds (distance) P-C4' energy: -65.465
flat angles C4'-P-C4' energy: -73.081
flat angles P-C4'-P energy: -52.437
tors. eta vs tors. theta energy: -84.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -1078.653416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.653416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.653416 (E_RNA)
where:
Base-Base interactions energy: -742.159
where: short stacking energy: -344.641
Base-Backbone interact. energy: -0.900
local terms energy: -335.593893
where:
bonds (distance) C4'-P energy: -63.726
bonds (distance) P-C4' energy: -63.953
flat angles C4'-P-C4' energy: -63.444
flat angles P-C4'-P energy: -47.085
tors. eta vs tors. theta energy: -97.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -1031.291202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.291202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.291202 (E_RNA)
where:
Base-Base interactions energy: -699.803
where: short stacking energy: -312.967
Base-Backbone interact. energy: -1.213
local terms energy: -330.274318
where:
bonds (distance) C4'-P energy: -69.813
bonds (distance) P-C4' energy: -56.928
flat angles C4'-P-C4' energy: -70.018
flat angles P-C4'-P energy: -41.719
tors. eta vs tors. theta energy: -91.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -900.096120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.096120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.096120 (E_RNA)
where:
Base-Base interactions energy: -578.430
where: short stacking energy: -295.257
Base-Backbone interact. energy: 1.559
local terms energy: -323.224787
where:
bonds (distance) C4'-P energy: -53.553
bonds (distance) P-C4' energy: -71.616
flat angles C4'-P-C4' energy: -70.311
flat angles P-C4'-P energy: -45.308
tors. eta vs tors. theta energy: -82.436
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: 9
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -890.992370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.992370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.992370 (E_RNA)
where:
Base-Base interactions energy: -585.525
where: short stacking energy: -266.575
Base-Backbone interact. energy: -2.041
local terms energy: -303.426512
where:
bonds (distance) C4'-P energy: -61.648
bonds (distance) P-C4' energy: -62.617
flat angles C4'-P-C4' energy: -64.099
flat angles P-C4'-P energy: -54.798
tors. eta vs tors. theta energy: -60.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -767.439418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.439418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.439418 (E_RNA)
where:
Base-Base interactions energy: -479.004
where: short stacking energy: -228.556
Base-Backbone interact. energy: -1.188
local terms energy: -287.247880
where:
bonds (distance) C4'-P energy: -63.191
bonds (distance) P-C4' energy: -53.973
flat angles C4'-P-C4' energy: -74.506
flat angles P-C4'-P energy: -43.895
tors. eta vs tors. theta energy: -51.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -669.958166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.958166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.958166 (E_RNA)
where:
Base-Base interactions energy: -429.209
where: short stacking energy: -206.220
Base-Backbone interact. energy: -0.740
local terms energy: -240.008680
where:
bonds (distance) C4'-P energy: -61.859
bonds (distance) P-C4' energy: -50.611
flat angles C4'-P-C4' energy: -62.811
flat angles P-C4'-P energy: -23.419
tors. eta vs tors. theta energy: -41.309
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: 92
Temperature: 1.250000
Total energy: -540.596183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.596183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.596183 (E_RNA)
where:
Base-Base interactions energy: -306.521
where: short stacking energy: -169.646
Base-Backbone interact. energy: 0.508
local terms energy: -234.583316
where:
bonds (distance) C4'-P energy: -60.760
bonds (distance) P-C4' energy: -60.623
flat angles C4'-P-C4' energy: -47.154
flat angles P-C4'-P energy: -40.085
tors. eta vs tors. theta energy: -25.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -466.508407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.508407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.508407 (E_RNA)
where:
Base-Base interactions energy: -232.773
where: short stacking energy: -131.714
Base-Backbone interact. energy: 0.024
local terms energy: -233.759883
where:
bonds (distance) C4'-P energy: -52.586
bonds (distance) P-C4' energy: -55.823
flat angles C4'-P-C4' energy: -70.235
flat angles P-C4'-P energy: -37.840
tors. eta vs tors. theta energy: -17.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -278.873867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.873867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.873867 (E_RNA)
where:
Base-Base interactions energy: -109.039
where: short stacking energy: -80.465
Base-Backbone interact. energy: -0.722
local terms energy: -169.113013
where:
bonds (distance) C4'-P energy: -65.605
bonds (distance) P-C4' energy: -54.962
flat angles C4'-P-C4' energy: -41.690
flat angles P-C4'-P energy: -24.900
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: 1, replica: 8
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -1130.458401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.458401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.458401 (E_RNA)
where:
Base-Base interactions energy: -784.043
where: short stacking energy: -338.868
Base-Backbone interact. energy: -0.892
local terms energy: -345.522915
where:
bonds (distance) C4'-P energy: -65.354
bonds (distance) P-C4' energy: -71.888
flat angles C4'-P-C4' energy: -64.899
flat angles P-C4'-P energy: -47.603
tors. eta vs tors. theta energy: -95.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -1022.259893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.259893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.259893 (E_RNA)
where:
Base-Base interactions energy: -680.488
where: short stacking energy: -317.359
Base-Backbone interact. energy: -0.486
local terms energy: -341.286589
where:
bonds (distance) C4'-P energy: -59.248
bonds (distance) P-C4' energy: -71.536
flat angles C4'-P-C4' energy: -73.417
flat angles P-C4'-P energy: -44.111
tors. eta vs tors. theta energy: -92.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -1050.537108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.537108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.537108 (E_RNA)
where:
Base-Base interactions energy: -716.307
where: short stacking energy: -327.440
Base-Backbone interact. energy: -0.587
local terms energy: -333.642980
where:
bonds (distance) C4'-P energy: -64.168
bonds (distance) P-C4' energy: -57.239
flat angles C4'-P-C4' energy: -71.752
flat angles P-C4'-P energy: -43.169
tors. eta vs tors. theta energy: -97.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -911.274070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.274070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.274070 (E_RNA)
where:
Base-Base interactions energy: -599.259
where: short stacking energy: -278.324
Base-Backbone interact. energy: -1.151
local terms energy: -310.864705
where:
bonds (distance) C4'-P energy: -60.453
bonds (distance) P-C4' energy: -62.397
flat angles C4'-P-C4' energy: -74.937
flat angles P-C4'-P energy: -43.559
tors. eta vs tors. theta energy: -69.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -860.677331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.677331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.677331 (E_RNA)
where:
Base-Base interactions energy: -577.756
where: short stacking energy: -251.208
Base-Backbone interact. energy: -0.664
local terms energy: -282.257711
where:
bonds (distance) C4'-P energy: -54.182
bonds (distance) P-C4' energy: -57.541
flat angles C4'-P-C4' energy: -61.076
flat angles P-C4'-P energy: -40.519
tors. eta vs tors. theta energy: -68.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -801.302791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.302791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.302791 (E_RNA)
where:
Base-Base interactions energy: -514.766
where: short stacking energy: -232.150
Base-Backbone interact. energy: -0.037
local terms energy: -286.499598
where:
bonds (distance) C4'-P energy: -54.403
bonds (distance) P-C4' energy: -56.703
flat angles C4'-P-C4' energy: -66.337
flat angles P-C4'-P energy: -37.301
tors. eta vs tors. theta energy: -71.755
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: 7, replica: 4
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -680.517181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.517181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.517181 (E_RNA)
where:
Base-Base interactions energy: -441.012
where: short stacking energy: -199.535
Base-Backbone interact. energy: -1.071
local terms energy: -238.434221
where:
bonds (distance) C4'-P energy: -51.867
bonds (distance) P-C4' energy: -57.046
flat angles C4'-P-C4' energy: -56.940
flat angles P-C4'-P energy: -39.545
tors. eta vs tors. theta energy: -33.036
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: 6
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -478.592379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.592379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.592379 (E_RNA)
where:
Base-Base interactions energy: -258.471
where: short stacking energy: -133.514
Base-Backbone interact. energy: -0.365
local terms energy: -219.756353
where:
bonds (distance) C4'-P energy: -56.964
bonds (distance) P-C4' energy: -62.774
flat angles C4'-P-C4' energy: -53.585
flat angles P-C4'-P energy: -29.460
tors. eta vs tors. theta energy: -16.973
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: 5
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -539.029765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.029765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.029765 (E_RNA)
where:
Base-Base interactions energy: -307.090
where: short stacking energy: -165.365
Base-Backbone interact. energy: -1.721
local terms energy: -230.218114
where:
bonds (distance) C4'-P energy: -56.819
bonds (distance) P-C4' energy: -59.412
flat angles C4'-P-C4' energy: -58.434
flat angles P-C4'-P energy: -28.204
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: 10, replica: 7
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -298.529904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.529904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.529904 (E_RNA)
where:
Base-Base interactions energy: -122.989
where: short stacking energy: -80.129
Base-Backbone interact. energy: -0.633
local terms energy: -174.907344
where:
bonds (distance) C4'-P energy: -55.057
bonds (distance) P-C4' energy: -51.042
flat angles C4'-P-C4' energy: -45.973
flat angles P-C4'-P energy: -27.680
tors. eta vs tors. theta energy: 4.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -1124.295714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.295714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.295714 (E_RNA)
where:
Base-Base interactions energy: -774.565
where: short stacking energy: -332.951
Base-Backbone interact. energy: -0.771
local terms energy: -348.959463
where:
bonds (distance) C4'-P energy: -68.491
bonds (distance) P-C4' energy: -60.060
flat angles C4'-P-C4' energy: -72.452
flat angles P-C4'-P energy: -57.109
tors. eta vs tors. theta energy: -90.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -1034.812270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.812270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.812270 (E_RNA)
where:
Base-Base interactions energy: -691.519
where: short stacking energy: -324.368
Base-Backbone interact. energy: -0.706
local terms energy: -342.587703
where:
bonds (distance) C4'-P energy: -59.806
bonds (distance) P-C4' energy: -69.477
flat angles C4'-P-C4' energy: -77.565
flat angles P-C4'-P energy: -41.964
tors. eta vs tors. theta energy: -93.776
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: 1
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -1059.309505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.309505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.309505 (E_RNA)
where:
Base-Base interactions energy: -724.782
where: short stacking energy: -300.821
Base-Backbone interact. energy: -0.708
local terms energy: -333.820187
where:
bonds (distance) C4'-P energy: -58.350
bonds (distance) P-C4' energy: -61.656
flat angles C4'-P-C4' energy: -78.865
flat angles P-C4'-P energy: -51.689
tors. eta vs tors. theta energy: -83.260
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: 4, replica: 2
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -902.297476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.297476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.297476 (E_RNA)
where:
Base-Base interactions energy: -612.061
where: short stacking energy: -282.945
Base-Backbone interact. energy: -1.221
local terms energy: -289.014955
where:
bonds (distance) C4'-P energy: -49.921
bonds (distance) P-C4' energy: -61.764
flat angles C4'-P-C4' energy: -67.007
flat angles P-C4'-P energy: -42.949
tors. eta vs tors. theta energy: -67.373
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: 10
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -846.460033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.460033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.460033 (E_RNA)
where:
Base-Base interactions energy: -550.508
where: short stacking energy: -252.799
Base-Backbone interact. energy: -2.182
local terms energy: -293.770401
where:
bonds (distance) C4'-P energy: -57.695
bonds (distance) P-C4' energy: -56.792
flat angles C4'-P-C4' energy: -65.912
flat angles P-C4'-P energy: -47.287
tors. eta vs tors. theta energy: -66.084
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: 9
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -823.075415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.075415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.075415 (E_RNA)
where:
Base-Base interactions energy: -554.112
where: short stacking energy: -251.779
Base-Backbone interact. energy: -1.687
local terms energy: -267.276930
where:
bonds (distance) C4'-P energy: -50.219
bonds (distance) P-C4' energy: -55.348
flat angles C4'-P-C4' energy: -58.242
flat angles P-C4'-P energy: -42.047
tors. eta vs tors. theta energy: -61.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -671.204446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.204446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.204446 (E_RNA)
where:
Base-Base interactions energy: -425.897
where: short stacking energy: -196.099
Base-Backbone interact. energy: -0.871
local terms energy: -244.436165
where:
bonds (distance) C4'-P energy: -58.161
bonds (distance) P-C4' energy: -56.545
flat angles C4'-P-C4' energy: -68.430
flat angles P-C4'-P energy: -36.759
tors. eta vs tors. theta energy: -24.541
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: 8, replica: 6
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -479.366961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.366961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.366961 (E_RNA)
where:
Base-Base interactions energy: -247.848
where: short stacking energy: -140.799
Base-Backbone interact. energy: -0.294
local terms energy: -231.224071
where:
bonds (distance) C4'-P energy: -67.256
bonds (distance) P-C4' energy: -52.200
flat angles C4'-P-C4' energy: -61.415
flat angles P-C4'-P energy: -31.209
tors. eta vs tors. theta energy: -19.144
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: 5
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -511.260755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.260755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.260755 (E_RNA)
where:
Base-Base interactions energy: -304.871
where: short stacking energy: -144.385
Base-Backbone interact. energy: 4.997
local terms energy: -211.386368
where:
bonds (distance) C4'-P energy: -50.942
bonds (distance) P-C4' energy: -50.207
flat angles C4'-P-C4' energy: -50.734
flat angles P-C4'-P energy: -40.569
tors. eta vs tors. theta energy: -18.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -307.066012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.066012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.066012 (E_RNA)
where:
Base-Base interactions energy: -112.086
where: short stacking energy: -86.788
Base-Backbone interact. energy: 1.111
local terms energy: -196.091012
where:
bonds (distance) C4'-P energy: -66.564
bonds (distance) P-C4' energy: -63.005
flat angles C4'-P-C4' energy: -53.394
flat angles P-C4'-P energy: -14.341
tors. eta vs tors. theta energy: 1.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -1125.305361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.305361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.305361 (E_RNA)
where:
Base-Base interactions energy: -788.031
where: short stacking energy: -342.748
Base-Backbone interact. energy: -0.957
local terms energy: -336.316999
where:
bonds (distance) C4'-P energy: -63.994
bonds (distance) P-C4' energy: -61.022
flat angles C4'-P-C4' energy: -69.759
flat angles P-C4'-P energy: -50.479
tors. eta vs tors. theta energy: -91.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -1079.052114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.052114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.052114 (E_RNA)
where:
Base-Base interactions energy: -740.525
where: short stacking energy: -313.043
Base-Backbone interact. energy: -0.831
local terms energy: -337.697053
where:
bonds (distance) C4'-P energy: -63.748
bonds (distance) P-C4' energy: -68.382
flat angles C4'-P-C4' energy: -61.874
flat angles P-C4'-P energy: -53.463
tors. eta vs tors. theta energy: -90.230
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: 3, replica: 3
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -999.148904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.148904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.148904 (E_RNA)
where:
Base-Base interactions energy: -658.730
where: short stacking energy: -310.153
Base-Backbone interact. energy: -0.995
local terms energy: -339.423767
where:
bonds (distance) C4'-P energy: -66.339
bonds (distance) P-C4' energy: -67.697
flat angles C4'-P-C4' energy: -64.985
flat angles P-C4'-P energy: -49.375
tors. eta vs tors. theta energy: -91.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -856.347202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.347202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.347202 (E_RNA)
where:
Base-Base interactions energy: -547.582
where: short stacking energy: -256.444
Base-Backbone interact. energy: -0.733
local terms energy: -308.032127
where:
bonds (distance) C4'-P energy: -61.008
bonds (distance) P-C4' energy: -63.929
flat angles C4'-P-C4' energy: -73.643
flat angles P-C4'-P energy: -41.678
tors. eta vs tors. theta energy: -67.774
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: 2
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -917.300237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.300237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.300237 (E_RNA)
where:
Base-Base interactions energy: -613.781
where: short stacking energy: -282.105
Base-Backbone interact. energy: 3.709
local terms energy: -307.227982
where:
bonds (distance) C4'-P energy: -46.221
bonds (distance) P-C4' energy: -67.844
flat angles C4'-P-C4' energy: -74.391
flat angles P-C4'-P energy: -48.839
tors. eta vs tors. theta energy: -69.931
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: 6, replica: 9
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -824.618208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.618208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.618208 (E_RNA)
where:
Base-Base interactions energy: -549.101
where: short stacking energy: -255.869
Base-Backbone interact. energy: -0.567
local terms energy: -274.950529
where:
bonds (distance) C4'-P energy: -54.064
bonds (distance) P-C4' energy: -52.970
flat angles C4'-P-C4' energy: -65.600
flat angles P-C4'-P energy: -40.580
tors. eta vs tors. theta energy: -61.736
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: 7, replica: 4
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -655.290089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.290089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.290089 (E_RNA)
where:
Base-Base interactions energy: -411.567
where: short stacking energy: -191.648
Base-Backbone interact. energy: -0.362
local terms energy: -243.361997
where:
bonds (distance) C4'-P energy: -64.964
bonds (distance) P-C4' energy: -56.512
flat angles C4'-P-C4' energy: -57.329
flat angles P-C4'-P energy: -40.306
tors. eta vs tors. theta energy: -24.250
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: 6
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -480.185863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.185863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.185863 (E_RNA)
where:
Base-Base interactions energy: -264.479
where: short stacking energy: -159.364
Base-Backbone interact. energy: -1.320
local terms energy: -214.387126
where:
bonds (distance) C4'-P energy: -53.204
bonds (distance) P-C4' energy: -63.935
flat angles C4'-P-C4' energy: -51.455
flat angles P-C4'-P energy: -33.089
tors. eta vs tors. theta energy: -12.704
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: 95
Temperature: 1.300000
Total energy: -502.996638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.996638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.996638 (E_RNA)
where:
Base-Base interactions energy: -285.462
where: short stacking energy: -140.860
Base-Backbone interact. energy: 0.436
local terms energy: -217.970984
where:
bonds (distance) C4'-P energy: -36.011
bonds (distance) P-C4' energy: -55.657
flat angles C4'-P-C4' energy: -63.294
flat angles P-C4'-P energy: -40.923
tors. eta vs tors. theta energy: -22.086
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: 10, replica: 7
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -282.089093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.089093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.089093 (E_RNA)
where:
Base-Base interactions energy: -103.712
where: short stacking energy: -96.321
Base-Backbone interact. energy: -0.850
local terms energy: -177.527875
where:
bonds (distance) C4'-P energy: -47.079
bonds (distance) P-C4' energy: -59.139
flat angles C4'-P-C4' energy: -38.979
flat angles P-C4'-P energy: -30.924
tors. eta vs tors. theta energy: -1.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -1140.829699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.829699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.829699 (E_RNA)
where:
Base-Base interactions energy: -795.036
where: short stacking energy: -347.898
Base-Backbone interact. energy: -2.018
local terms energy: -343.775708
where:
bonds (distance) C4'-P energy: -60.523
bonds (distance) P-C4' energy: -70.849
flat angles C4'-P-C4' energy: -71.171
flat angles P-C4'-P energy: -53.444
tors. eta vs tors. theta energy: -87.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -1103.449206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.449206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.449206 (E_RNA)
where:
Base-Base interactions energy: -750.747
where: short stacking energy: -345.353
Base-Backbone interact. energy: -2.370
local terms energy: -350.332681
where:
bonds (distance) C4'-P energy: -61.114
bonds (distance) P-C4' energy: -61.402
flat angles C4'-P-C4' energy: -77.009
flat angles P-C4'-P energy: -49.592
tors. eta vs tors. theta energy: -101.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -982.571953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.571953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.571953 (E_RNA)
where:
Base-Base interactions energy: -663.377
where: short stacking energy: -299.217
Base-Backbone interact. energy: -0.641
local terms energy: -318.554761
where:
bonds (distance) C4'-P energy: -59.353
bonds (distance) P-C4' energy: -62.710
flat angles C4'-P-C4' energy: -76.431
flat angles P-C4'-P energy: -44.659
tors. eta vs tors. theta energy: -75.402
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: 4, replica: 10
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -863.093087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.093087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.093087 (E_RNA)
where:
Base-Base interactions energy: -576.648
where: short stacking energy: -257.696
Base-Backbone interact. energy: 2.544
local terms energy: -288.988828
where:
bonds (distance) C4'-P energy: -59.936
bonds (distance) P-C4' energy: -59.040
flat angles C4'-P-C4' energy: -59.836
flat angles P-C4'-P energy: -43.401
tors. eta vs tors. theta energy: -66.776
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: 2
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -858.633780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.633780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.633780 (E_RNA)
where:
Base-Base interactions energy: -550.840
where: short stacking energy: -272.370
Base-Backbone interact. energy: -1.176
local terms energy: -306.618364
where:
bonds (distance) C4'-P energy: -64.651
bonds (distance) P-C4' energy: -66.156
flat angles C4'-P-C4' energy: -65.879
flat angles P-C4'-P energy: -42.162
tors. eta vs tors. theta energy: -67.770
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: 9
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -846.016887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.016887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.016887 (E_RNA)
where:
Base-Base interactions energy: -541.739
where: short stacking energy: -249.290
Base-Backbone interact. energy: 0.289
local terms energy: -304.566464
where:
bonds (distance) C4'-P energy: -56.943
bonds (distance) P-C4' energy: -65.655
flat angles C4'-P-C4' energy: -70.347
flat angles P-C4'-P energy: -43.680
tors. eta vs tors. theta energy: -67.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -651.236560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.236560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.236560 (E_RNA)
where:
Base-Base interactions energy: -398.078
where: short stacking energy: -185.470
Base-Backbone interact. energy: 3.119
local terms energy: -256.277887
where:
bonds (distance) C4'-P energy: -68.800
bonds (distance) P-C4' energy: -66.797
flat angles C4'-P-C4' energy: -58.650
flat angles P-C4'-P energy: -28.912
tors. eta vs tors. theta energy: -33.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -514.896800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.896800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.896800 (E_RNA)
where:
Base-Base interactions energy: -297.359
where: short stacking energy: -163.162
Base-Backbone interact. energy: 0.845
local terms energy: -218.381973
where:
bonds (distance) C4'-P energy: -60.400
bonds (distance) P-C4' energy: -49.772
flat angles C4'-P-C4' energy: -56.806
flat angles P-C4'-P energy: -30.463
tors. eta vs tors. theta energy: -20.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -558.251559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.251559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.251559 (E_RNA)
where:
Base-Base interactions energy: -344.166
where: short stacking energy: -173.227
Base-Backbone interact. energy: 0.209
local terms energy: -214.294834
where:
bonds (distance) C4'-P energy: -44.467
bonds (distance) P-C4' energy: -61.430
flat angles C4'-P-C4' energy: -53.886
flat angles P-C4'-P energy: -25.736
tors. eta vs tors. theta energy: -28.776
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: 10, replica: 7
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -288.290287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.290287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.290287 (E_RNA)
where:
Base-Base interactions energy: -123.513
where: short stacking energy: -90.106
Base-Backbone interact. energy: 0.908
local terms energy: -165.685011
where:
bonds (distance) C4'-P energy: -51.191
bonds (distance) P-C4' energy: -52.079
flat angles C4'-P-C4' energy: -49.000
flat angles P-C4'-P energy: -31.317
tors. eta vs tors. theta energy: 17.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -1129.170143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.170143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.170143 (E_RNA)
where:
Base-Base interactions energy: -787.861
where: short stacking energy: -343.895
Base-Backbone interact. energy: -1.087
local terms energy: -340.222446
where:
bonds (distance) C4'-P energy: -69.059
bonds (distance) P-C4' energy: -60.673
flat angles C4'-P-C4' energy: -73.330
flat angles P-C4'-P energy: -47.000
tors. eta vs tors. theta energy: -90.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -1095.455040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.455040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.455040 (E_RNA)
where:
Base-Base interactions energy: -747.520
where: short stacking energy: -329.495
Base-Backbone interact. energy: -0.049
local terms energy: -347.886251
where:
bonds (distance) C4'-P energy: -59.520
bonds (distance) P-C4' energy: -70.944
flat angles C4'-P-C4' energy: -71.727
flat angles P-C4'-P energy: -50.026
tors. eta vs tors. theta energy: -95.670
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: 3
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -1035.453897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.453897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.453897 (E_RNA)
where:
Base-Base interactions energy: -702.523
where: short stacking energy: -321.848
Base-Backbone interact. energy: -0.498
local terms energy: -332.432188
where:
bonds (distance) C4'-P energy: -64.318
bonds (distance) P-C4' energy: -65.027
flat angles C4'-P-C4' energy: -69.045
flat angles P-C4'-P energy: -47.245
tors. eta vs tors. theta energy: -86.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -899.690013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.690013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.690013 (E_RNA)
where:
Base-Base interactions energy: -587.058
where: short stacking energy: -269.527
Base-Backbone interact. energy: 0.780
local terms energy: -313.412159
where:
bonds (distance) C4'-P energy: -49.717
bonds (distance) P-C4' energy: -68.240
flat angles C4'-P-C4' energy: -61.141
flat angles P-C4'-P energy: -47.592
tors. eta vs tors. theta energy: -86.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -851.994198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.994198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.994198 (E_RNA)
where:
Base-Base interactions energy: -576.654
where: short stacking energy: -257.536
Base-Backbone interact. energy: 0.599
local terms energy: -275.938483
where:
bonds (distance) C4'-P energy: -47.936
bonds (distance) P-C4' energy: -54.700
flat angles C4'-P-C4' energy: -72.795
flat angles P-C4'-P energy: -39.735
tors. eta vs tors. theta energy: -60.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -832.351906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.351906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.351906 (E_RNA)
where:
Base-Base interactions energy: -566.312
where: short stacking energy: -247.408
Base-Backbone interact. energy: 2.658
local terms energy: -268.698142
where:
bonds (distance) C4'-P energy: -57.931
bonds (distance) P-C4' energy: -53.207
flat angles C4'-P-C4' energy: -59.457
flat angles P-C4'-P energy: -39.295
tors. eta vs tors. theta energy: -58.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -670.844635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.844635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.844635 (E_RNA)
where:
Base-Base interactions energy: -415.802
where: short stacking energy: -175.061
Base-Backbone interact. energy: -0.246
local terms energy: -254.796645
where:
bonds (distance) C4'-P energy: -50.036
bonds (distance) P-C4' energy: -65.102
flat angles C4'-P-C4' energy: -57.352
flat angles P-C4'-P energy: -49.532
tors. eta vs tors. theta energy: -32.774
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: 5
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -586.764689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.764689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.764689 (E_RNA)
where:
Base-Base interactions energy: -363.778
where: short stacking energy: -178.311
Base-Backbone interact. energy: -3.220
local terms energy: -219.767296
where:
bonds (distance) C4'-P energy: -51.049
bonds (distance) P-C4' energy: -58.799
flat angles C4'-P-C4' energy: -38.742
flat angles P-C4'-P energy: -29.287
tors. eta vs tors. theta energy: -41.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -454.076082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.076082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.076082 (E_RNA)
where:
Base-Base interactions energy: -236.378
where: short stacking energy: -115.913
Base-Backbone interact. energy: -2.029
local terms energy: -215.669043
where:
bonds (distance) C4'-P energy: -62.273
bonds (distance) P-C4' energy: -60.510
flat angles C4'-P-C4' energy: -60.228
flat angles P-C4'-P energy: -22.245
tors. eta vs tors. theta energy: -10.412
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: 10, replica: 7
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -291.049238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.049238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.049238 (E_RNA)
where:
Base-Base interactions energy: -102.752
where: short stacking energy: -94.682
Base-Backbone interact. energy: 3.430
local terms energy: -191.726470
where:
bonds (distance) C4'-P energy: -55.011
bonds (distance) P-C4' energy: -64.911
flat angles C4'-P-C4' energy: -38.057
flat angles P-C4'-P energy: -36.523
tors. eta vs tors. theta energy: 2.776
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: 1
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -1114.856737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.856737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.856737 (E_RNA)
where:
Base-Base interactions energy: -769.715
where: short stacking energy: -334.504
Base-Backbone interact. energy: -1.118
local terms energy: -344.024197
where:
bonds (distance) C4'-P energy: -66.867
bonds (distance) P-C4' energy: -61.609
flat angles C4'-P-C4' energy: -73.107
flat angles P-C4'-P energy: -49.219
tors. eta vs tors. theta energy: -93.223
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: 2, replica: 8
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -1136.188232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.188232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.188232 (E_RNA)
where:
Base-Base interactions energy: -794.706
where: short stacking energy: -334.473
Base-Backbone interact. energy: -2.107
local terms energy: -339.374969
where:
bonds (distance) C4'-P energy: -60.925
bonds (distance) P-C4' energy: -63.869
flat angles C4'-P-C4' energy: -68.645
flat angles P-C4'-P energy: -55.132
tors. eta vs tors. theta energy: -90.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -1013.819293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.819293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.819293 (E_RNA)
where:
Base-Base interactions energy: -685.753
where: short stacking energy: -331.593
Base-Backbone interact. energy: -0.594
local terms energy: -327.471440
where:
bonds (distance) C4'-P energy: -63.934
bonds (distance) P-C4' energy: -58.225
flat angles C4'-P-C4' energy: -76.980
flat angles P-C4'-P energy: -47.031
tors. eta vs tors. theta energy: -81.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -916.669088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.669088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.669088 (E_RNA)
where:
Base-Base interactions energy: -590.674
where: short stacking energy: -267.059
Base-Backbone interact. energy: -0.082
local terms energy: -325.913163
where:
bonds (distance) C4'-P energy: -55.166
bonds (distance) P-C4' energy: -76.143
flat angles C4'-P-C4' energy: -77.618
flat angles P-C4'-P energy: -43.054
tors. eta vs tors. theta energy: -73.932
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: 10
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -847.639881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.639881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.639881 (E_RNA)
where:
Base-Base interactions energy: -561.883
where: short stacking energy: -260.879
Base-Backbone interact. energy: -0.290
local terms energy: -285.467008
where:
bonds (distance) C4'-P energy: -52.339
bonds (distance) P-C4' energy: -53.544
flat angles C4'-P-C4' energy: -64.838
flat angles P-C4'-P energy: -48.604
tors. eta vs tors. theta energy: -66.142
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: 9
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -818.461737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.461737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.461737 (E_RNA)
where:
Base-Base interactions energy: -545.772
where: short stacking energy: -245.046
Base-Backbone interact. energy: -1.291
local terms energy: -271.398498
where:
bonds (distance) C4'-P energy: -55.880
bonds (distance) P-C4' energy: -56.829
flat angles C4'-P-C4' energy: -56.732
flat angles P-C4'-P energy: -38.204
tors. eta vs tors. theta energy: -63.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -644.367217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.367217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.367217 (E_RNA)
where:
Base-Base interactions energy: -397.091
where: short stacking energy: -166.692
Base-Backbone interact. energy: -2.516
local terms energy: -244.760176
where:
bonds (distance) C4'-P energy: -69.583
bonds (distance) P-C4' energy: -60.006
flat angles C4'-P-C4' energy: -58.974
flat angles P-C4'-P energy: -33.656
tors. eta vs tors. theta energy: -22.541
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: 8, replica: 5
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -599.870554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.870554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.870554 (E_RNA)
where:
Base-Base interactions energy: -352.171
where: short stacking energy: -182.071
Base-Backbone interact. energy: -1.692
local terms energy: -246.006942
where:
bonds (distance) C4'-P energy: -45.138
bonds (distance) P-C4' energy: -51.953
flat angles C4'-P-C4' energy: -64.983
flat angles P-C4'-P energy: -37.944
tors. eta vs tors. theta energy: -45.988
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: 6
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -469.696727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.696727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.696727 (E_RNA)
where:
Base-Base interactions energy: -255.140
where: short stacking energy: -124.922
Base-Backbone interact. energy: -1.559
local terms energy: -212.997675
where:
bonds (distance) C4'-P energy: -57.010
bonds (distance) P-C4' energy: -60.013
flat angles C4'-P-C4' energy: -44.287
flat angles P-C4'-P energy: -33.711
tors. eta vs tors. theta energy: -17.977
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: 7
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -301.190065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.190065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.190065 (E_RNA)
where:
Base-Base interactions energy: -119.530
where: short stacking energy: -91.020
Base-Backbone interact. energy: 1.227
local terms energy: -182.886740
where:
bonds (distance) C4'-P energy: -45.254
bonds (distance) P-C4' energy: -61.016
flat angles C4'-P-C4' energy: -58.092
flat angles P-C4'-P energy: -27.103
tors. eta vs tors. theta energy: 8.578
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: 1
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -1132.598881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.598881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.598881 (E_RNA)
where:
Base-Base interactions energy: -776.609
where: short stacking energy: -341.203
Base-Backbone interact. energy: -0.373
local terms energy: -355.616243
where:
bonds (distance) C4'-P energy: -56.639
bonds (distance) P-C4' energy: -67.912
flat angles C4'-P-C4' energy: -76.116
flat angles P-C4'-P energy: -50.174
tors. eta vs tors. theta energy: -104.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -1113.431493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.431493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.431493 (E_RNA)
where:
Base-Base interactions energy: -769.975
where: short stacking energy: -323.125
Base-Backbone interact. energy: -2.164
local terms energy: -341.291895
where:
bonds (distance) C4'-P energy: -63.643
bonds (distance) P-C4' energy: -65.273
flat angles C4'-P-C4' energy: -68.372
flat angles P-C4'-P energy: -51.558
tors. eta vs tors. theta energy: -92.447
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: 3
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -1034.156708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.156708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.156708 (E_RNA)
where:
Base-Base interactions energy: -706.867
where: short stacking energy: -315.577
Base-Backbone interact. energy: -1.826
local terms energy: -325.463429
where:
bonds (distance) C4'-P energy: -61.392
bonds (distance) P-C4' energy: -61.079
flat angles C4'-P-C4' energy: -73.670
flat angles P-C4'-P energy: -45.265
tors. eta vs tors. theta energy: -84.057
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: 2
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -917.159052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.159052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.159052 (E_RNA)
where:
Base-Base interactions energy: -611.030
where: short stacking energy: -285.933
Base-Backbone interact. energy: 3.152
local terms energy: -309.281004
where:
bonds (distance) C4'-P energy: -66.650
bonds (distance) P-C4' energy: -68.342
flat angles C4'-P-C4' energy: -67.842
flat angles P-C4'-P energy: -35.309
tors. eta vs tors. theta energy: -71.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -837.568616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.568616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.568616 (E_RNA)
where:
Base-Base interactions energy: -566.029
where: short stacking energy: -238.387
Base-Backbone interact. energy: -0.936
local terms energy: -270.603238
where:
bonds (distance) C4'-P energy: -49.134
bonds (distance) P-C4' energy: -59.628
flat angles C4'-P-C4' energy: -59.647
flat angles P-C4'-P energy: -43.983
tors. eta vs tors. theta energy: -58.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -852.308102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.308102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.308102 (E_RNA)
where:
Base-Base interactions energy: -556.333
where: short stacking energy: -256.017
Base-Backbone interact. energy: 2.641
local terms energy: -298.615701
where:
bonds (distance) C4'-P energy: -66.374
bonds (distance) P-C4' energy: -59.419
flat angles C4'-P-C4' energy: -66.030
flat angles P-C4'-P energy: -42.346
tors. eta vs tors. theta energy: -64.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -651.326107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.326107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.326107 (E_RNA)
where:
Base-Base interactions energy: -405.875
where: short stacking energy: -195.497
Base-Backbone interact. energy: -0.812
local terms energy: -244.638922
where:
bonds (distance) C4'-P energy: -58.842
bonds (distance) P-C4' energy: -58.335
flat angles C4'-P-C4' energy: -56.089
flat angles P-C4'-P energy: -35.929
tors. eta vs tors. theta energy: -35.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -587.635020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.635020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.635020 (E_RNA)
where:
Base-Base interactions energy: -356.295
where: short stacking energy: -175.673
Base-Backbone interact. energy: -0.212
local terms energy: -231.128342
where:
bonds (distance) C4'-P energy: -60.276
bonds (distance) P-C4' energy: -64.029
flat angles C4'-P-C4' energy: -55.351
flat angles P-C4'-P energy: -26.393
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: 9, replica: 6
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -436.568700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.568700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.568700 (E_RNA)
where:
Base-Base interactions energy: -227.220
where: short stacking energy: -122.532
Base-Backbone interact. energy: -1.155
local terms energy: -208.193497
where:
bonds (distance) C4'-P energy: -75.634
bonds (distance) P-C4' energy: -47.955
flat angles C4'-P-C4' energy: -47.299
flat angles P-C4'-P energy: -29.913
tors. eta vs tors. theta energy: -7.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -313.265340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.265340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.265340 (E_RNA)
where:
Base-Base interactions energy: -140.357
where: short stacking energy: -97.171
Base-Backbone interact. energy: 3.179
local terms energy: -176.088053
where:
bonds (distance) C4'-P energy: -52.836
bonds (distance) P-C4' energy: -53.316
flat angles C4'-P-C4' energy: -49.921
flat angles P-C4'-P energy: -20.446
tors. eta vs tors. theta energy: 0.431
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: 8
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -1134.978006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.978006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.978006 (E_RNA)
where:
Base-Base interactions energy: -782.971
where: short stacking energy: -341.757
Base-Backbone interact. energy: -1.367
local terms energy: -350.640250
where:
bonds (distance) C4'-P energy: -64.086
bonds (distance) P-C4' energy: -69.588
flat angles C4'-P-C4' energy: -76.045
flat angles P-C4'-P energy: -50.993
tors. eta vs tors. theta energy: -89.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -1106.909690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.909690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.909690 (E_RNA)
where:
Base-Base interactions energy: -760.757
where: short stacking energy: -340.161
Base-Backbone interact. energy: -1.711
local terms energy: -344.441694
where:
bonds (distance) C4'-P energy: -69.913
bonds (distance) P-C4' energy: -58.172
flat angles C4'-P-C4' energy: -73.777
flat angles P-C4'-P energy: -48.975
tors. eta vs tors. theta energy: -93.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -1023.641359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.641359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.641359 (E_RNA)
where:
Base-Base interactions energy: -690.232
where: short stacking energy: -300.888
Base-Backbone interact. energy: -0.981
local terms energy: -332.428142
where:
bonds (distance) C4'-P energy: -54.071
bonds (distance) P-C4' energy: -77.326
flat angles C4'-P-C4' energy: -68.330
flat angles P-C4'-P energy: -49.110
tors. eta vs tors. theta energy: -83.591
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: 2
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -894.489294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.489294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.489294 (E_RNA)
where:
Base-Base interactions energy: -607.098
where: short stacking energy: -264.145
Base-Backbone interact. energy: -2.432
local terms energy: -284.959321
where:
bonds (distance) C4'-P energy: -47.889
bonds (distance) P-C4' energy: -62.491
flat angles C4'-P-C4' energy: -68.761
flat angles P-C4'-P energy: -39.439
tors. eta vs tors. theta energy: -66.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -898.035525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.035525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.035525 (E_RNA)
where:
Base-Base interactions energy: -586.771
where: short stacking energy: -251.066
Base-Backbone interact. energy: -3.720
local terms energy: -307.544444
where:
bonds (distance) C4'-P energy: -57.956
bonds (distance) P-C4' energy: -65.296
flat angles C4'-P-C4' energy: -68.069
flat angles P-C4'-P energy: -42.695
tors. eta vs tors. theta energy: -73.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -814.636543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.636543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.636543 (E_RNA)
where:
Base-Base interactions energy: -547.682
where: short stacking energy: -223.668
Base-Backbone interact. energy: -1.204
local terms energy: -265.750799
where:
bonds (distance) C4'-P energy: -47.619
bonds (distance) P-C4' energy: -56.212
flat angles C4'-P-C4' energy: -72.282
flat angles P-C4'-P energy: -35.867
tors. eta vs tors. theta energy: -53.772
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: 7, replica: 4
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -649.836759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.836759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.836759 (E_RNA)
where:
Base-Base interactions energy: -412.996
where: short stacking energy: -189.383
Base-Backbone interact. energy: 0.560
local terms energy: -237.400745
where:
bonds (distance) C4'-P energy: -49.556
bonds (distance) P-C4' energy: -58.971
flat angles C4'-P-C4' energy: -56.026
flat angles P-C4'-P energy: -33.868
tors. eta vs tors. theta energy: -38.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -592.679462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.679462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.679462 (E_RNA)
where:
Base-Base interactions energy: -372.413
where: short stacking energy: -189.407
Base-Backbone interact. energy: 1.465
local terms energy: -221.731310
where:
bonds (distance) C4'-P energy: -52.073
bonds (distance) P-C4' energy: -56.001
flat angles C4'-P-C4' energy: -51.136
flat angles P-C4'-P energy: -34.709
tors. eta vs tors. theta energy: -27.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -433.981640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.981640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.981640 (E_RNA)
where:
Base-Base interactions energy: -226.483
where: short stacking energy: -126.646
Base-Backbone interact. energy: 0.265
local terms energy: -207.763176
where:
bonds (distance) C4'-P energy: -55.769
bonds (distance) P-C4' energy: -58.607
flat angles C4'-P-C4' energy: -52.136
flat angles P-C4'-P energy: -32.892
tors. eta vs tors. theta energy: -8.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -290.559074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.559074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.559074 (E_RNA)
where:
Base-Base interactions energy: -112.598
where: short stacking energy: -86.935
Base-Backbone interact. energy: -2.059
local terms energy: -175.902699
where:
bonds (distance) C4'-P energy: -51.187
bonds (distance) P-C4' energy: -54.506
flat angles C4'-P-C4' energy: -52.567
flat angles P-C4'-P energy: -22.547
tors. eta vs tors. theta energy: 4.904
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: 1, replica: 8
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -1132.232447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.232447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.232447 (E_RNA)
where:
Base-Base interactions energy: -787.484
where: short stacking energy: -336.338
Base-Backbone interact. energy: -1.018
local terms energy: -343.731142
where:
bonds (distance) C4'-P energy: -59.594
bonds (distance) P-C4' energy: -67.975
flat angles C4'-P-C4' energy: -73.918
flat angles P-C4'-P energy: -56.387
tors. eta vs tors. theta energy: -85.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -1122.971976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.971976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.971976 (E_RNA)
where:
Base-Base interactions energy: -778.214
where: short stacking energy: -351.712
Base-Backbone interact. energy: -0.866
local terms energy: -343.891885
where:
bonds (distance) C4'-P energy: -59.225
bonds (distance) P-C4' energy: -59.908
flat angles C4'-P-C4' energy: -70.070
flat angles P-C4'-P energy: -52.749
tors. eta vs tors. theta energy: -101.940
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: 3
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -1031.365331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.365331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.365331 (E_RNA)
where:
Base-Base interactions energy: -700.699
where: short stacking energy: -315.021
Base-Backbone interact. energy: -2.427
local terms energy: -328.239206
where:
bonds (distance) C4'-P energy: -54.287
bonds (distance) P-C4' energy: -71.389
flat angles C4'-P-C4' energy: -72.663
flat angles P-C4'-P energy: -45.451
tors. eta vs tors. theta energy: -84.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -937.466553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.466553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.466553 (E_RNA)
where:
Base-Base interactions energy: -628.230
where: short stacking energy: -271.654
Base-Backbone interact. energy: -1.698
local terms energy: -307.537739
where:
bonds (distance) C4'-P energy: -62.286
bonds (distance) P-C4' energy: -53.826
flat angles C4'-P-C4' energy: -58.706
flat angles P-C4'-P energy: -57.045
tors. eta vs tors. theta energy: -75.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -841.036153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.036153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.036153 (E_RNA)
where:
Base-Base interactions energy: -569.338
where: short stacking energy: -256.617
Base-Backbone interact. energy: -1.102
local terms energy: -270.596291
where:
bonds (distance) C4'-P energy: -53.022
bonds (distance) P-C4' energy: -56.614
flat angles C4'-P-C4' energy: -51.702
flat angles P-C4'-P energy: -40.838
tors. eta vs tors. theta energy: -68.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -819.038636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.038636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.038636 (E_RNA)
where:
Base-Base interactions energy: -558.876
where: short stacking energy: -229.436
Base-Backbone interact. energy: 2.907
local terms energy: -263.069738
where:
bonds (distance) C4'-P energy: -53.623
bonds (distance) P-C4' energy: -51.983
flat angles C4'-P-C4' energy: -60.499
flat angles P-C4'-P energy: -39.639
tors. eta vs tors. theta energy: -57.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -645.763017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.763017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.763017 (E_RNA)
where:
Base-Base interactions energy: -395.196
where: short stacking energy: -167.416
Base-Backbone interact. energy: -1.790
local terms energy: -248.777208
where:
bonds (distance) C4'-P energy: -60.573
bonds (distance) P-C4' energy: -60.569
flat angles C4'-P-C4' energy: -57.483
flat angles P-C4'-P energy: -40.954
tors. eta vs tors. theta energy: -29.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -617.218954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.218954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.218954 (E_RNA)
where:
Base-Base interactions energy: -381.225
where: short stacking energy: -184.179
Base-Backbone interact. energy: -1.682
local terms energy: -234.311833
where:
bonds (distance) C4'-P energy: -51.271
bonds (distance) P-C4' energy: -53.941
flat angles C4'-P-C4' energy: -66.978
flat angles P-C4'-P energy: -28.537
tors. eta vs tors. theta energy: -33.584
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: 6
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -418.357970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.357970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.357970 (E_RNA)
where:
Base-Base interactions energy: -206.462
where: short stacking energy: -142.259
Base-Backbone interact. energy: -1.423
local terms energy: -210.473520
where:
bonds (distance) C4'-P energy: -48.600
bonds (distance) P-C4' energy: -57.530
flat angles C4'-P-C4' energy: -61.591
flat angles P-C4'-P energy: -42.312
tors. eta vs tors. theta energy: -0.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -284.614613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.614613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.614613 (E_RNA)
where:
Base-Base interactions energy: -99.527
where: short stacking energy: -83.886
Base-Backbone interact. energy: -1.799
local terms energy: -183.288828
where:
bonds (distance) C4'-P energy: -49.584
bonds (distance) P-C4' energy: -65.241
flat angles C4'-P-C4' energy: -48.543
flat angles P-C4'-P energy: -25.572
tors. eta vs tors. theta energy: 5.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -1151.505331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.505331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.505331 (E_RNA)
where:
Base-Base interactions energy: -785.237
where: short stacking energy: -343.768
Base-Backbone interact. energy: -2.438
local terms energy: -363.830847
where:
bonds (distance) C4'-P energy: -76.035
bonds (distance) P-C4' energy: -66.395
flat angles C4'-P-C4' energy: -76.104
flat angles P-C4'-P energy: -52.712
tors. eta vs tors. theta energy: -92.585
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: 1
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -1134.519915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.519915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.519915 (E_RNA)
where:
Base-Base interactions energy: -788.673
where: short stacking energy: -348.449
Base-Backbone interact. energy: -1.484
local terms energy: -344.363091
where:
bonds (distance) C4'-P energy: -59.607
bonds (distance) P-C4' energy: -58.102
flat angles C4'-P-C4' energy: -75.281
flat angles P-C4'-P energy: -45.306
tors. eta vs tors. theta energy: -106.066
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: 3
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -1022.101902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.101902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.101902 (E_RNA)
where:
Base-Base interactions energy: -691.252
where: short stacking energy: -314.100
Base-Backbone interact. energy: -0.414
local terms energy: -330.435426
where:
bonds (distance) C4'-P energy: -68.786
bonds (distance) P-C4' energy: -60.300
flat angles C4'-P-C4' energy: -77.719
flat angles P-C4'-P energy: -38.156
tors. eta vs tors. theta energy: -85.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -949.054632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.054632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.054632 (E_RNA)
where:
Base-Base interactions energy: -636.351
where: short stacking energy: -285.664
Base-Backbone interact. energy: -1.214
local terms energy: -311.488797
where:
bonds (distance) C4'-P energy: -62.729
bonds (distance) P-C4' energy: -60.734
flat angles C4'-P-C4' energy: -65.048
flat angles P-C4'-P energy: -44.422
tors. eta vs tors. theta energy: -78.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -853.415459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.415459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.415459 (E_RNA)
where:
Base-Base interactions energy: -558.758
where: short stacking energy: -247.915
Base-Backbone interact. energy: -1.185
local terms energy: -293.472791
where:
bonds (distance) C4'-P energy: -60.466
bonds (distance) P-C4' energy: -53.964
flat angles C4'-P-C4' energy: -69.061
flat angles P-C4'-P energy: -41.853
tors. eta vs tors. theta energy: -68.129
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: 10
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -879.259825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.259825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.259825 (E_RNA)
where:
Base-Base interactions energy: -575.008
where: short stacking energy: -262.364
Base-Backbone interact. energy: 1.303
local terms energy: -305.555344
where:
bonds (distance) C4'-P energy: -57.830
bonds (distance) P-C4' energy: -64.576
flat angles C4'-P-C4' energy: -60.908
flat angles P-C4'-P energy: -49.949
tors. eta vs tors. theta energy: -72.292
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: 5
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -619.952849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.952849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.952849 (E_RNA)
where:
Base-Base interactions energy: -381.784
where: short stacking energy: -177.846
Base-Backbone interact. energy: -2.158
local terms energy: -236.011684
where:
bonds (distance) C4'-P energy: -62.148
bonds (distance) P-C4' energy: -53.740
flat angles C4'-P-C4' energy: -59.901
flat angles P-C4'-P energy: -42.186
tors. eta vs tors. theta energy: -18.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -646.202734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.202734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.202734 (E_RNA)
where:
Base-Base interactions energy: -410.418
where: short stacking energy: -207.516
Base-Backbone interact. energy: 0.698
local terms energy: -236.483485
where:
bonds (distance) C4'-P energy: -47.571
bonds (distance) P-C4' energy: -55.602
flat angles C4'-P-C4' energy: -58.609
flat angles P-C4'-P energy: -28.598
tors. eta vs tors. theta energy: -46.102
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: 6
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -443.432091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.432091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.432091 (E_RNA)
where:
Base-Base interactions energy: -238.470
where: short stacking energy: -143.088
Base-Backbone interact. energy: -2.161
local terms energy: -202.800921
where:
bonds (distance) C4'-P energy: -44.223
bonds (distance) P-C4' energy: -64.660
flat angles C4'-P-C4' energy: -53.684
flat angles P-C4'-P energy: -33.422
tors. eta vs tors. theta energy: -6.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -308.598313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.598313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.598313 (E_RNA)
where:
Base-Base interactions energy: -135.333
where: short stacking energy: -113.069
Base-Backbone interact. energy: -0.711
local terms energy: -172.553982
where:
bonds (distance) C4'-P energy: -42.009
bonds (distance) P-C4' energy: -52.959
flat angles C4'-P-C4' energy: -46.734
flat angles P-C4'-P energy: -20.402
tors. eta vs tors. theta energy: -10.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -1144.323711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.323711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.323711 (E_RNA)
where:
Base-Base interactions energy: -801.777
where: short stacking energy: -343.813
Base-Backbone interact. energy: -1.910
local terms energy: -340.636739
where:
bonds (distance) C4'-P energy: -72.353
bonds (distance) P-C4' energy: -60.770
flat angles C4'-P-C4' energy: -73.037
flat angles P-C4'-P energy: -49.621
tors. eta vs tors. theta energy: -84.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -1113.460288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.460288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.460288 (E_RNA)
where:
Base-Base interactions energy: -770.374
where: short stacking energy: -353.617
Base-Backbone interact. energy: -1.338
local terms energy: -341.748052
where:
bonds (distance) C4'-P energy: -59.361
bonds (distance) P-C4' energy: -56.965
flat angles C4'-P-C4' energy: -72.936
flat angles P-C4'-P energy: -54.443
tors. eta vs tors. theta energy: -98.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -1030.414626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.414626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.414626 (E_RNA)
where:
Base-Base interactions energy: -700.556
where: short stacking energy: -307.530
Base-Backbone interact. energy: -1.310
local terms energy: -328.548062
where:
bonds (distance) C4'-P energy: -65.766
bonds (distance) P-C4' energy: -64.734
flat angles C4'-P-C4' energy: -67.906
flat angles P-C4'-P energy: -47.596
tors. eta vs tors. theta energy: -82.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -872.513164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.513164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.513164 (E_RNA)
where:
Base-Base interactions energy: -566.310
where: short stacking energy: -271.941
Base-Backbone interact. energy: -1.091
local terms energy: -305.112224
where:
bonds (distance) C4'-P energy: -54.854
bonds (distance) P-C4' energy: -62.265
flat angles C4'-P-C4' energy: -70.521
flat angles P-C4'-P energy: -38.287
tors. eta vs tors. theta energy: -79.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -906.454930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.454930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.454930 (E_RNA)
where:
Base-Base interactions energy: -621.876
where: short stacking energy: -272.276
Base-Backbone interact. energy: -0.382
local terms energy: -284.196621
where:
bonds (distance) C4'-P energy: -51.415
bonds (distance) P-C4' energy: -58.860
flat angles C4'-P-C4' energy: -58.204
flat angles P-C4'-P energy: -45.886
tors. eta vs tors. theta energy: -69.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -865.316831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.316831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.316831 (E_RNA)
where:
Base-Base interactions energy: -583.066
where: short stacking energy: -253.248
Base-Backbone interact. energy: -0.953
local terms energy: -281.297943
where:
bonds (distance) C4'-P energy: -45.775
bonds (distance) P-C4' energy: -59.577
flat angles C4'-P-C4' energy: -64.745
flat angles P-C4'-P energy: -47.274
tors. eta vs tors. theta energy: -63.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -621.266368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.266368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.266368 (E_RNA)
where:
Base-Base interactions energy: -363.014
where: short stacking energy: -158.281
Base-Backbone interact. energy: -1.544
local terms energy: -256.708687
where:
bonds (distance) C4'-P energy: -63.565
bonds (distance) P-C4' energy: -58.945
flat angles C4'-P-C4' energy: -61.253
flat angles P-C4'-P energy: -36.967
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: 8, replica: 4
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -637.592816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.592816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.592816 (E_RNA)
where:
Base-Base interactions energy: -393.413
where: short stacking energy: -165.701
Base-Backbone interact. energy: -1.148
local terms energy: -243.032297
where:
bonds (distance) C4'-P energy: -55.856
bonds (distance) P-C4' energy: -57.771
flat angles C4'-P-C4' energy: -63.391
flat angles P-C4'-P energy: -37.730
tors. eta vs tors. theta energy: -28.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -449.856691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.856691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.856691 (E_RNA)
where:
Base-Base interactions energy: -247.061
where: short stacking energy: -130.773
Base-Backbone interact. energy: -0.846
local terms energy: -201.949663
where:
bonds (distance) C4'-P energy: -48.121
bonds (distance) P-C4' energy: -63.901
flat angles C4'-P-C4' energy: -51.974
flat angles P-C4'-P energy: -20.197
tors. eta vs tors. theta energy: -17.757
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: 10, replica: 7
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -291.195705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.195705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.195705 (E_RNA)
where:
Base-Base interactions energy: -115.213
where: short stacking energy: -97.414
Base-Backbone interact. energy: -0.061
local terms energy: -175.922194
where:
bonds (distance) C4'-P energy: -53.890
bonds (distance) P-C4' energy: -50.985
flat angles C4'-P-C4' energy: -54.598
flat angles P-C4'-P energy: -27.169
tors. eta vs tors. theta energy: 10.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -1131.293639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.293639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.293639 (E_RNA)
where:
Base-Base interactions energy: -784.092
where: short stacking energy: -319.846
Base-Backbone interact. energy: -0.702
local terms energy: -346.500278
where:
bonds (distance) C4'-P energy: -62.357
bonds (distance) P-C4' energy: -70.267
flat angles C4'-P-C4' energy: -76.523
flat angles P-C4'-P energy: -48.081
tors. eta vs tors. theta energy: -89.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -1131.402941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.402941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.402941 (E_RNA)
where:
Base-Base interactions energy: -792.776
where: short stacking energy: -361.222
Base-Backbone interact. energy: -0.890
local terms energy: -337.736635
where:
bonds (distance) C4'-P energy: -47.214
bonds (distance) P-C4' energy: -57.544
flat angles C4'-P-C4' energy: -77.607
flat angles P-C4'-P energy: -52.181
tors. eta vs tors. theta energy: -103.191
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: 3
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -1030.079459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.079459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.079459 (E_RNA)
where:
Base-Base interactions energy: -690.376
where: short stacking energy: -307.657
Base-Backbone interact. energy: -2.609
local terms energy: -337.094322
where:
bonds (distance) C4'-P energy: -61.677
bonds (distance) P-C4' energy: -57.468
flat angles C4'-P-C4' energy: -77.811
flat angles P-C4'-P energy: -48.672
tors. eta vs tors. theta energy: -91.466
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: 104
Temperature: 1.050000
Total energy: -880.510517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.510517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.510517 (E_RNA)
where:
Base-Base interactions energy: -563.606
where: short stacking energy: -287.632
Base-Backbone interact. energy: -0.422
local terms energy: -316.482379
where:
bonds (distance) C4'-P energy: -57.449
bonds (distance) P-C4' energy: -55.212
flat angles C4'-P-C4' energy: -67.640
flat angles P-C4'-P energy: -48.483
tors. eta vs tors. theta energy: -87.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -934.668127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.668127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.668127 (E_RNA)
where:
Base-Base interactions energy: -635.757
where: short stacking energy: -303.240
Base-Backbone interact. energy: 1.506
local terms energy: -300.416991
where:
bonds (distance) C4'-P energy: -50.511
bonds (distance) P-C4' energy: -62.723
flat angles C4'-P-C4' energy: -69.044
flat angles P-C4'-P energy: -37.069
tors. eta vs tors. theta energy: -81.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -868.733053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.733053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.733053 (E_RNA)
where:
Base-Base interactions energy: -564.346
where: short stacking energy: -249.433
Base-Backbone interact. energy: -1.697
local terms energy: -302.690077
where:
bonds (distance) C4'-P energy: -63.792
bonds (distance) P-C4' energy: -58.858
flat angles C4'-P-C4' energy: -71.948
flat angles P-C4'-P energy: -39.489
tors. eta vs tors. theta energy: -68.603
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: 4
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -627.894657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.894657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.894657 (E_RNA)
where:
Base-Base interactions energy: -379.501
where: short stacking energy: -186.747
Base-Backbone interact. energy: -1.748
local terms energy: -246.645380
where:
bonds (distance) C4'-P energy: -60.632
bonds (distance) P-C4' energy: -55.359
flat angles C4'-P-C4' energy: -60.641
flat angles P-C4'-P energy: -36.987
tors. eta vs tors. theta energy: -33.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -585.266813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.266813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.266813 (E_RNA)
where:
Base-Base interactions energy: -357.177
where: short stacking energy: -182.637
Base-Backbone interact. energy: -1.168
local terms energy: -226.922614
where:
bonds (distance) C4'-P energy: -51.028
bonds (distance) P-C4' energy: -52.759
flat angles C4'-P-C4' energy: -61.664
flat angles P-C4'-P energy: -32.997
tors. eta vs tors. theta energy: -28.475
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: 6
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -433.739077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.739077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.739077 (E_RNA)
where:
Base-Base interactions energy: -247.222
where: short stacking energy: -152.121
Base-Backbone interact. energy: 6.978
local terms energy: -193.495520
where:
bonds (distance) C4'-P energy: -52.779
bonds (distance) P-C4' energy: -58.850
flat angles C4'-P-C4' energy: -47.204
flat angles P-C4'-P energy: -17.380
tors. eta vs tors. theta energy: -17.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -259.232300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.232300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.232300 (E_RNA)
where:
Base-Base interactions energy: -99.278
where: short stacking energy: -72.856
Base-Backbone interact. energy: 0.336
local terms energy: -160.290098
where:
bonds (distance) C4'-P energy: -51.269
bonds (distance) P-C4' energy: -52.698
flat angles C4'-P-C4' energy: -38.926
flat angles P-C4'-P energy: -30.662
tors. eta vs tors. theta energy: 13.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -1136.956218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.956218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.956218 (E_RNA)
where:
Base-Base interactions energy: -799.141
where: short stacking energy: -338.893
Base-Backbone interact. energy: -2.366
local terms energy: -335.449065
where:
bonds (distance) C4'-P energy: -60.413
bonds (distance) P-C4' energy: -54.995
flat angles C4'-P-C4' energy: -75.709
flat angles P-C4'-P energy: -53.250
tors. eta vs tors. theta energy: -91.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -1137.868647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.868647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.868647 (E_RNA)
where:
Base-Base interactions energy: -789.332
where: short stacking energy: -350.721
Base-Backbone interact. energy: -0.909
local terms energy: -347.628435
where:
bonds (distance) C4'-P energy: -58.796
bonds (distance) P-C4' energy: -66.359
flat angles C4'-P-C4' energy: -75.977
flat angles P-C4'-P energy: -52.577
tors. eta vs tors. theta energy: -93.920
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: 3
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -1031.322042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.322042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.322042 (E_RNA)
where:
Base-Base interactions energy: -690.852
where: short stacking energy: -309.455
Base-Backbone interact. energy: 2.024
local terms energy: -342.494820
where:
bonds (distance) C4'-P energy: -59.339
bonds (distance) P-C4' energy: -66.924
flat angles C4'-P-C4' energy: -73.454
flat angles P-C4'-P energy: -57.332
tors. eta vs tors. theta energy: -85.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -912.137025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.137025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.137025 (E_RNA)
where:
Base-Base interactions energy: -607.372
where: short stacking energy: -286.502
Base-Backbone interact. energy: -1.052
local terms energy: -303.712318
where:
bonds (distance) C4'-P energy: -59.211
bonds (distance) P-C4' energy: -65.846
flat angles C4'-P-C4' energy: -64.613
flat angles P-C4'-P energy: -40.519
tors. eta vs tors. theta energy: -73.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -877.742293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.742293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.742293 (E_RNA)
where:
Base-Base interactions energy: -556.055
where: short stacking energy: -252.197
Base-Backbone interact. energy: -1.485
local terms energy: -320.202094
where:
bonds (distance) C4'-P energy: -54.080
bonds (distance) P-C4' energy: -69.801
flat angles C4'-P-C4' energy: -69.031
flat angles P-C4'-P energy: -48.382
tors. eta vs tors. theta energy: -78.909
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: 10
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -806.792989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.792989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.792989 (E_RNA)
where:
Base-Base interactions energy: -561.211
where: short stacking energy: -239.124
Base-Backbone interact. energy: 0.824
local terms energy: -246.405716
where:
bonds (distance) C4'-P energy: -51.890
bonds (distance) P-C4' energy: -49.575
flat angles C4'-P-C4' energy: -54.897
flat angles P-C4'-P energy: -40.224
tors. eta vs tors. theta energy: -49.821
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: 4
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -665.941419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.941419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.941419 (E_RNA)
where:
Base-Base interactions energy: -406.974
where: short stacking energy: -201.403
Base-Backbone interact. energy: -0.175
local terms energy: -258.792215
where:
bonds (distance) C4'-P energy: -53.359
bonds (distance) P-C4' energy: -58.973
flat angles C4'-P-C4' energy: -59.939
flat angles P-C4'-P energy: -40.923
tors. eta vs tors. theta energy: -45.600
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: 8, replica: 5
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -586.807479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.807479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.807479 (E_RNA)
where:
Base-Base interactions energy: -350.524
where: short stacking energy: -172.303
Base-Backbone interact. energy: -1.878
local terms energy: -234.405761
where:
bonds (distance) C4'-P energy: -58.312
bonds (distance) P-C4' energy: -60.452
flat angles C4'-P-C4' energy: -57.670
flat angles P-C4'-P energy: -32.236
tors. eta vs tors. theta energy: -25.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -450.794918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.794918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.794918 (E_RNA)
where:
Base-Base interactions energy: -232.029
where: short stacking energy: -135.113
Base-Backbone interact. energy: -0.677
local terms energy: -218.088383
where:
bonds (distance) C4'-P energy: -57.285
bonds (distance) P-C4' energy: -62.796
flat angles C4'-P-C4' energy: -36.789
flat angles P-C4'-P energy: -37.197
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: 10, replica: 7
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -277.936233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.936233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.936233 (E_RNA)
where:
Base-Base interactions energy: -90.446
where: short stacking energy: -75.440
Base-Backbone interact. energy: -0.940
local terms energy: -186.550176
where:
bonds (distance) C4'-P energy: -67.389
bonds (distance) P-C4' energy: -62.524
flat angles C4'-P-C4' energy: -45.614
flat angles P-C4'-P energy: -24.995
tors. eta vs tors. theta energy: 13.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -1141.843533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.843533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.843533 (E_RNA)
where:
Base-Base interactions energy: -790.441
where: short stacking energy: -336.073
Base-Backbone interact. energy: 0.254
local terms energy: -351.656901
where:
bonds (distance) C4'-P energy: -71.740
bonds (distance) P-C4' energy: -65.062
flat angles C4'-P-C4' energy: -73.436
flat angles P-C4'-P energy: -50.549
tors. eta vs tors. theta energy: -90.870
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: 1
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -1151.236837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.236837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.236837 (E_RNA)
where:
Base-Base interactions energy: -788.387
where: short stacking energy: -345.237
Base-Backbone interact. energy: -0.378
local terms energy: -362.472283
where:
bonds (distance) C4'-P energy: -70.167
bonds (distance) P-C4' energy: -71.068
flat angles C4'-P-C4' energy: -73.860
flat angles P-C4'-P energy: -50.008
tors. eta vs tors. theta energy: -97.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -1021.428000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.428000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.428000 (E_RNA)
where:
Base-Base interactions energy: -683.306
where: short stacking energy: -304.638
Base-Backbone interact. energy: 3.552
local terms energy: -341.674836
where:
bonds (distance) C4'-P energy: -64.642
bonds (distance) P-C4' energy: -62.992
flat angles C4'-P-C4' energy: -70.716
flat angles P-C4'-P energy: -49.431
tors. eta vs tors. theta energy: -93.894
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: 4, replica: 2
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -944.530497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.530497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.530497 (E_RNA)
where:
Base-Base interactions energy: -640.751
where: short stacking energy: -282.801
Base-Backbone interact. energy: -0.972
local terms energy: -302.806858
where:
bonds (distance) C4'-P energy: -56.106
bonds (distance) P-C4' energy: -64.575
flat angles C4'-P-C4' energy: -64.320
flat angles P-C4'-P energy: -47.340
tors. eta vs tors. theta energy: -70.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -855.248808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.248808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.248808 (E_RNA)
where:
Base-Base interactions energy: -571.997
where: short stacking energy: -239.845
Base-Backbone interact. energy: -1.726
local terms energy: -281.525693
where:
bonds (distance) C4'-P energy: -46.355
bonds (distance) P-C4' energy: -62.188
flat angles C4'-P-C4' energy: -65.253
flat angles P-C4'-P energy: -41.799
tors. eta vs tors. theta energy: -65.931
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: 6, replica: 9
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -856.211988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.211988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.211988 (E_RNA)
where:
Base-Base interactions energy: -544.869
where: short stacking energy: -235.439
Base-Backbone interact. energy: -2.218
local terms energy: -309.124685
where:
bonds (distance) C4'-P energy: -56.104
bonds (distance) P-C4' energy: -74.520
flat angles C4'-P-C4' energy: -65.388
flat angles P-C4'-P energy: -45.896
tors. eta vs tors. theta energy: -67.216
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: 4
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -645.498062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.498062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.498062 (E_RNA)
where:
Base-Base interactions energy: -398.672
where: short stacking energy: -181.752
Base-Backbone interact. energy: 0.776
local terms energy: -247.601698
where:
bonds (distance) C4'-P energy: -56.651
bonds (distance) P-C4' energy: -67.751
flat angles C4'-P-C4' energy: -59.440
flat angles P-C4'-P energy: -28.847
tors. eta vs tors. theta energy: -34.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -586.830107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.830107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.830107 (E_RNA)
where:
Base-Base interactions energy: -369.279
where: short stacking energy: -176.159
Base-Backbone interact. energy: -1.080
local terms energy: -216.470872
where:
bonds (distance) C4'-P energy: -38.829
bonds (distance) P-C4' energy: -60.118
flat angles C4'-P-C4' energy: -53.770
flat angles P-C4'-P energy: -37.123
tors. eta vs tors. theta energy: -26.631
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: 6
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -445.209224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.209224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.209224 (E_RNA)
where:
Base-Base interactions energy: -246.483
where: short stacking energy: -141.590
Base-Backbone interact. energy: 3.904
local terms energy: -202.630511
where:
bonds (distance) C4'-P energy: -59.602
bonds (distance) P-C4' energy: -55.488
flat angles C4'-P-C4' energy: -42.057
flat angles P-C4'-P energy: -24.976
tors. eta vs tors. theta energy: -20.508
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: 10, replica: 7
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -290.419593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.419593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.419593 (E_RNA)
where:
Base-Base interactions energy: -94.838
where: short stacking energy: -90.917
Base-Backbone interact. energy: -1.745
local terms energy: -193.836102
where:
bonds (distance) C4'-P energy: -53.800
bonds (distance) P-C4' energy: -54.484
flat angles C4'-P-C4' energy: -61.953
flat angles P-C4'-P energy: -28.078
tors. eta vs tors. theta energy: 4.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -1139.556887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.556887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.556887 (E_RNA)
where:
Base-Base interactions energy: -794.574
where: short stacking energy: -338.782
Base-Backbone interact. energy: -1.288
local terms energy: -343.695047
where:
bonds (distance) C4'-P energy: -59.483
bonds (distance) P-C4' energy: -66.680
flat angles C4'-P-C4' energy: -72.163
flat angles P-C4'-P energy: -54.522
tors. eta vs tors. theta energy: -90.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -1062.603983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.603983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.603983 (E_RNA)
where:
Base-Base interactions energy: -730.094
where: short stacking energy: -319.071
Base-Backbone interact. energy: -1.904
local terms energy: -330.606005
where:
bonds (distance) C4'-P energy: -62.915
bonds (distance) P-C4' energy: -53.603
flat angles C4'-P-C4' energy: -73.018
flat angles P-C4'-P energy: -50.171
tors. eta vs tors. theta energy: -90.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -1134.583623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.583623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.583623 (E_RNA)
where:
Base-Base interactions energy: -777.049
where: short stacking energy: -338.127
Base-Backbone interact. energy: 0.208
local terms energy: -357.742264
where:
bonds (distance) C4'-P energy: -65.009
bonds (distance) P-C4' energy: -63.030
flat angles C4'-P-C4' energy: -73.115
flat angles P-C4'-P energy: -58.047
tors. eta vs tors. theta energy: -98.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -949.348038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.348038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.348038 (E_RNA)
where:
Base-Base interactions energy: -646.111
where: short stacking energy: -283.704
Base-Backbone interact. energy: -1.920
local terms energy: -301.316754
where:
bonds (distance) C4'-P energy: -51.467
bonds (distance) P-C4' energy: -59.234
flat angles C4'-P-C4' energy: -66.113
flat angles P-C4'-P energy: -49.379
tors. eta vs tors. theta energy: -75.124
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: 10
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -866.328140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.328140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.328140 (E_RNA)
where:
Base-Base interactions energy: -586.855
where: short stacking energy: -263.120
Base-Backbone interact. energy: -0.120
local terms energy: -279.353088
where:
bonds (distance) C4'-P energy: -55.424
bonds (distance) P-C4' energy: -60.240
flat angles C4'-P-C4' energy: -55.689
flat angles P-C4'-P energy: -51.215
tors. eta vs tors. theta energy: -56.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -828.736235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.736235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.736235 (E_RNA)
where:
Base-Base interactions energy: -555.485
where: short stacking energy: -258.982
Base-Backbone interact. energy: 1.279
local terms energy: -274.529603
where:
bonds (distance) C4'-P energy: -59.968
bonds (distance) P-C4' energy: -52.708
flat angles C4'-P-C4' energy: -57.074
flat angles P-C4'-P energy: -34.225
tors. eta vs tors. theta energy: -70.555
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: 4
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -631.207227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.207227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.207227 (E_RNA)
where:
Base-Base interactions energy: -383.466
where: short stacking energy: -184.454
Base-Backbone interact. energy: -0.591
local terms energy: -247.150116
where:
bonds (distance) C4'-P energy: -53.132
bonds (distance) P-C4' energy: -66.549
flat angles C4'-P-C4' energy: -57.534
flat angles P-C4'-P energy: -37.150
tors. eta vs tors. theta energy: -32.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -611.905074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.905074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.905074 (E_RNA)
where:
Base-Base interactions energy: -379.960
where: short stacking energy: -185.993
Base-Backbone interact. energy: -0.146
local terms energy: -231.798758
where:
bonds (distance) C4'-P energy: -69.220
bonds (distance) P-C4' energy: -47.912
flat angles C4'-P-C4' energy: -56.505
flat angles P-C4'-P energy: -27.411
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: 9, replica: 6
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -452.074992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.074992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.074992 (E_RNA)
where:
Base-Base interactions energy: -237.111
where: short stacking energy: -130.295
Base-Backbone interact. energy: 1.591
local terms energy: -216.554851
where:
bonds (distance) C4'-P energy: -54.518
bonds (distance) P-C4' energy: -54.854
flat angles C4'-P-C4' energy: -63.009
flat angles P-C4'-P energy: -26.610
tors. eta vs tors. theta energy: -17.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -275.368706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.368706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.368706 (E_RNA)
where:
Base-Base interactions energy: -90.606
where: short stacking energy: -82.596
Base-Backbone interact. energy: 0.819
local terms energy: -185.581484
where:
bonds (distance) C4'-P energy: -46.168
bonds (distance) P-C4' energy: -56.564
flat angles C4'-P-C4' energy: -56.507
flat angles P-C4'-P energy: -27.732
tors. eta vs tors. theta energy: 1.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -1142.268153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.268153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.268153 (E_RNA)
where:
Base-Base interactions energy: -778.011
where: short stacking energy: -339.649
Base-Backbone interact. energy: -2.463
local terms energy: -361.794458
where:
bonds (distance) C4'-P energy: -69.268
bonds (distance) P-C4' energy: -74.836
flat angles C4'-P-C4' energy: -70.165
flat angles P-C4'-P energy: -55.959
tors. eta vs tors. theta energy: -91.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -1055.585568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.585568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.585568 (E_RNA)
where:
Base-Base interactions energy: -705.938
where: short stacking energy: -319.287
Base-Backbone interact. energy: -1.494
local terms energy: -348.153361
where:
bonds (distance) C4'-P energy: -63.364
bonds (distance) P-C4' energy: -62.047
flat angles C4'-P-C4' energy: -79.908
flat angles P-C4'-P energy: -48.924
tors. eta vs tors. theta energy: -93.909
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: 1
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -1097.408718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.408718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.408718 (E_RNA)
where:
Base-Base interactions energy: -758.700
where: short stacking energy: -327.391
Base-Backbone interact. energy: -0.691
local terms energy: -338.017678
where:
bonds (distance) C4'-P energy: -63.358
bonds (distance) P-C4' energy: -60.039
flat angles C4'-P-C4' energy: -71.425
flat angles P-C4'-P energy: -48.751
tors. eta vs tors. theta energy: -94.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -916.849888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.849888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.849888 (E_RNA)
where:
Base-Base interactions energy: -621.268
where: short stacking energy: -254.620
Base-Backbone interact. energy: -1.583
local terms energy: -293.998690
where:
bonds (distance) C4'-P energy: -65.997
bonds (distance) P-C4' energy: -64.153
flat angles C4'-P-C4' energy: -55.593
flat angles P-C4'-P energy: -40.064
tors. eta vs tors. theta energy: -68.192
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: 9
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -849.042265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.042265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.042265 (E_RNA)
where:
Base-Base interactions energy: -557.688
where: short stacking energy: -244.696
Base-Backbone interact. energy: -0.422
local terms energy: -290.932473
where:
bonds (distance) C4'-P energy: -58.690
bonds (distance) P-C4' energy: -65.516
flat angles C4'-P-C4' energy: -62.115
flat angles P-C4'-P energy: -41.460
tors. eta vs tors. theta energy: -63.150
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: 10
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -845.763650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.763650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.763650 (E_RNA)
where:
Base-Base interactions energy: -572.751
where: short stacking energy: -247.344
Base-Backbone interact. energy: -1.790
local terms energy: -271.222443
where:
bonds (distance) C4'-P energy: -53.149
bonds (distance) P-C4' energy: -55.810
flat angles C4'-P-C4' energy: -71.691
flat angles P-C4'-P energy: -37.324
tors. eta vs tors. theta energy: -53.249
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: 7, replica: 4
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -603.084342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.084342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.084342 (E_RNA)
where:
Base-Base interactions energy: -363.677
where: short stacking energy: -182.321
Base-Backbone interact. energy: 2.781
local terms energy: -242.188875
where:
bonds (distance) C4'-P energy: -47.746
bonds (distance) P-C4' energy: -66.016
flat angles C4'-P-C4' energy: -55.774
flat angles P-C4'-P energy: -42.188
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: 8, replica: 5
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -567.155100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.155100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.155100 (E_RNA)
where:
Base-Base interactions energy: -322.496
where: short stacking energy: -146.235
Base-Backbone interact. energy: 0.597
local terms energy: -245.256292
where:
bonds (distance) C4'-P energy: -63.179
bonds (distance) P-C4' energy: -61.011
flat angles C4'-P-C4' energy: -56.450
flat angles P-C4'-P energy: -40.936
tors. eta vs tors. theta energy: -23.680
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: 9, replica: 6
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -457.180329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.180329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.180329 (E_RNA)
where:
Base-Base interactions energy: -262.618
where: short stacking energy: -136.892
Base-Backbone interact. energy: -0.412
local terms energy: -194.150236
where:
bonds (distance) C4'-P energy: -38.105
bonds (distance) P-C4' energy: -48.080
flat angles C4'-P-C4' energy: -47.965
flat angles P-C4'-P energy: -34.911
tors. eta vs tors. theta energy: -25.089
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: 7
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -281.301704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.301704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.301704 (E_RNA)
where:
Base-Base interactions energy: -106.585
where: short stacking energy: -83.827
Base-Backbone interact. energy: -3.281
local terms energy: -171.435495
where:
bonds (distance) C4'-P energy: -48.342
bonds (distance) P-C4' energy: -58.390
flat angles C4'-P-C4' energy: -37.494
flat angles P-C4'-P energy: -25.354
tors. eta vs tors. theta energy: -1.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -1138.116894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.116894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.116894 (E_RNA)
where:
Base-Base interactions energy: -794.198
where: short stacking energy: -340.726
Base-Backbone interact. energy: -1.435
local terms energy: -342.483884
where:
bonds (distance) C4'-P energy: -64.792
bonds (distance) P-C4' energy: -74.125
flat angles C4'-P-C4' energy: -66.611
flat angles P-C4'-P energy: -41.398
tors. eta vs tors. theta energy: -95.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -1115.527982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.527982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.527982 (E_RNA)
where:
Base-Base interactions energy: -765.172
where: short stacking energy: -352.972
Base-Backbone interact. energy: -1.546
local terms energy: -348.809922
where:
bonds (distance) C4'-P energy: -62.010
bonds (distance) P-C4' energy: -57.836
flat angles C4'-P-C4' energy: -78.226
flat angles P-C4'-P energy: -51.513
tors. eta vs tors. theta energy: -99.224
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: 3
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -1034.043228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.043228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.043228 (E_RNA)
where:
Base-Base interactions energy: -711.470
where: short stacking energy: -319.345
Base-Backbone interact. energy: 0.305
local terms energy: -322.877550
where:
bonds (distance) C4'-P energy: -62.981
bonds (distance) P-C4' energy: -66.242
flat angles C4'-P-C4' energy: -68.547
flat angles P-C4'-P energy: -46.842
tors. eta vs tors. theta energy: -78.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -947.256829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.256829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.256829 (E_RNA)
where:
Base-Base interactions energy: -631.355
where: short stacking energy: -296.607
Base-Backbone interact. energy: 0.886
local terms energy: -316.787292
where:
bonds (distance) C4'-P energy: -65.802
bonds (distance) P-C4' energy: -62.669
flat angles C4'-P-C4' energy: -64.680
flat angles P-C4'-P energy: -43.545
tors. eta vs tors. theta energy: -80.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -880.305409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.305409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.305409 (E_RNA)
where:
Base-Base interactions energy: -588.189
where: short stacking energy: -259.009
Base-Backbone interact. energy: -0.993
local terms energy: -291.123231
where:
bonds (distance) C4'-P energy: -60.041
bonds (distance) P-C4' energy: -55.455
flat angles C4'-P-C4' energy: -55.925
flat angles P-C4'-P energy: -45.013
tors. eta vs tors. theta energy: -74.689
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: 10
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -872.084266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.084266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.084266 (E_RNA)
where:
Base-Base interactions energy: -583.419
where: short stacking energy: -254.269
Base-Backbone interact. energy: -1.153
local terms energy: -287.512356
where:
bonds (distance) C4'-P energy: -54.323
bonds (distance) P-C4' energy: -52.557
flat angles C4'-P-C4' energy: -71.192
flat angles P-C4'-P energy: -47.121
tors. eta vs tors. theta energy: -62.319
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: 4
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -620.403473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.403473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.403473 (E_RNA)
where:
Base-Base interactions energy: -384.275
where: short stacking energy: -193.100
Base-Backbone interact. energy: 1.434
local terms energy: -237.563104
where:
bonds (distance) C4'-P energy: -47.850
bonds (distance) P-C4' energy: -62.604
flat angles C4'-P-C4' energy: -45.523
flat angles P-C4'-P energy: -39.857
tors. eta vs tors. theta energy: -41.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -634.912147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.912147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.912147 (E_RNA)
where:
Base-Base interactions energy: -404.326
where: short stacking energy: -174.383
Base-Backbone interact. energy: -0.513
local terms energy: -230.073969
where:
bonds (distance) C4'-P energy: -55.382
bonds (distance) P-C4' energy: -55.100
flat angles C4'-P-C4' energy: -53.208
flat angles P-C4'-P energy: -35.773
tors. eta vs tors. theta energy: -30.612
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: 9, replica: 6
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -446.900403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.900403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.900403 (E_RNA)
where:
Base-Base interactions energy: -238.729
where: short stacking energy: -138.091
Base-Backbone interact. energy: -2.501
local terms energy: -205.670915
where:
bonds (distance) C4'-P energy: -61.127
bonds (distance) P-C4' energy: -51.933
flat angles C4'-P-C4' energy: -52.000
flat angles P-C4'-P energy: -30.141
tors. eta vs tors. theta energy: -10.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -274.316040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.316040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.316040 (E_RNA)
where:
Base-Base interactions energy: -103.060
where: short stacking energy: -96.638
Base-Backbone interact. energy: 0.213
local terms energy: -171.469354
where:
bonds (distance) C4'-P energy: -39.000
bonds (distance) P-C4' energy: -55.519
flat angles C4'-P-C4' energy: -47.691
flat angles P-C4'-P energy: -33.138
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: 1, replica: 8
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -1125.353058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.353058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.353058 (E_RNA)
where:
Base-Base interactions energy: -784.020
where: short stacking energy: -319.059
Base-Backbone interact. energy: -3.405
local terms energy: -337.928763
where:
bonds (distance) C4'-P energy: -65.434
bonds (distance) P-C4' energy: -64.663
flat angles C4'-P-C4' energy: -65.906
flat angles P-C4'-P energy: -52.804
tors. eta vs tors. theta energy: -89.122
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: 1
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -1120.081006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.081006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.081006 (E_RNA)
where:
Base-Base interactions energy: -787.192
where: short stacking energy: -311.499
Base-Backbone interact. energy: -1.343
local terms energy: -331.546371
where:
bonds (distance) C4'-P energy: -74.281
bonds (distance) P-C4' energy: -54.261
flat angles C4'-P-C4' energy: -74.512
flat angles P-C4'-P energy: -40.007
tors. eta vs tors. theta energy: -88.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -1034.456196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.456196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.456196 (E_RNA)
where:
Base-Base interactions energy: -707.410
where: short stacking energy: -319.533
Base-Backbone interact. energy: -1.940
local terms energy: -325.106186
where:
bonds (distance) C4'-P energy: -58.241
bonds (distance) P-C4' energy: -61.374
flat angles C4'-P-C4' energy: -75.634
flat angles P-C4'-P energy: -42.875
tors. eta vs tors. theta energy: -86.983
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: 2
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -976.657437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.657437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.657437 (E_RNA)
where:
Base-Base interactions energy: -655.030
where: short stacking energy: -294.190
Base-Backbone interact. energy: 0.003
local terms energy: -321.629632
where:
bonds (distance) C4'-P energy: -56.828
bonds (distance) P-C4' energy: -70.518
flat angles C4'-P-C4' energy: -69.406
flat angles P-C4'-P energy: -47.017
tors. eta vs tors. theta energy: -77.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -847.813363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.813363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.813363 (E_RNA)
where:
Base-Base interactions energy: -555.388
where: short stacking energy: -249.975
Base-Backbone interact. energy: -1.387
local terms energy: -291.037726
where:
bonds (distance) C4'-P energy: -61.669
bonds (distance) P-C4' energy: -64.440
flat angles C4'-P-C4' energy: -63.605
flat angles P-C4'-P energy: -39.426
tors. eta vs tors. theta energy: -61.899
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: 10
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -892.417891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.417891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.417891 (E_RNA)
where:
Base-Base interactions energy: -594.732
where: short stacking energy: -251.819
Base-Backbone interact. energy: 0.125
local terms energy: -297.810677
where:
bonds (distance) C4'-P energy: -67.231
bonds (distance) P-C4' energy: -53.722
flat angles C4'-P-C4' energy: -56.070
flat angles P-C4'-P energy: -48.448
tors. eta vs tors. theta energy: -72.339
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: 7, replica: 4
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -660.102557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.102557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.102557 (E_RNA)
where:
Base-Base interactions energy: -425.076
where: short stacking energy: -220.831
Base-Backbone interact. energy: -0.569
local terms energy: -234.457752
where:
bonds (distance) C4'-P energy: -39.597
bonds (distance) P-C4' energy: -52.600
flat angles C4'-P-C4' energy: -52.739
flat angles P-C4'-P energy: -42.755
tors. eta vs tors. theta energy: -46.766
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: 8, replica: 5
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -658.410587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.410587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.410587 (E_RNA)
where:
Base-Base interactions energy: -402.222
where: short stacking energy: -191.117
Base-Backbone interact. energy: -0.370
local terms energy: -255.818670
where:
bonds (distance) C4'-P energy: -59.383
bonds (distance) P-C4' energy: -61.129
flat angles C4'-P-C4' energy: -59.754
flat angles P-C4'-P energy: -37.322
tors. eta vs tors. theta energy: -38.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -435.866626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.866626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.866626 (E_RNA)
where:
Base-Base interactions energy: -245.883
where: short stacking energy: -123.905
Base-Backbone interact. energy: -2.082
local terms energy: -187.901295
where:
bonds (distance) C4'-P energy: -56.019
bonds (distance) P-C4' energy: -50.810
flat angles C4'-P-C4' energy: -36.469
flat angles P-C4'-P energy: -30.514
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: 7
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -283.025149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.025149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.025149 (E_RNA)
where:
Base-Base interactions energy: -95.184
where: short stacking energy: -80.963
Base-Backbone interact. energy: 0.582
local terms energy: -188.422663
where:
bonds (distance) C4'-P energy: -62.166
bonds (distance) P-C4' energy: -61.849
flat angles C4'-P-C4' energy: -39.667
flat angles P-C4'-P energy: -27.195
tors. eta vs tors. theta energy: 2.455
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: 8
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -1129.265389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.265389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.265389 (E_RNA)
where:
Base-Base interactions energy: -802.347
where: short stacking energy: -336.161
Base-Backbone interact. energy: -2.418
local terms energy: -324.500484
where:
bonds (distance) C4'-P energy: -53.522
bonds (distance) P-C4' energy: -66.158
flat angles C4'-P-C4' energy: -74.958
flat angles P-C4'-P energy: -42.998
tors. eta vs tors. theta energy: -86.865
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: 2, replica: 1
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -1135.355087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.355087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.355087 (E_RNA)
where:
Base-Base interactions energy: -801.441
where: short stacking energy: -334.800
Base-Backbone interact. energy: -1.490
local terms energy: -332.424069
where:
bonds (distance) C4'-P energy: -52.018
bonds (distance) P-C4' energy: -69.260
flat angles C4'-P-C4' energy: -70.346
flat angles P-C4'-P energy: -44.597
tors. eta vs tors. theta energy: -96.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -1044.692948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.692948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.692948 (E_RNA)
where:
Base-Base interactions energy: -711.219
where: short stacking energy: -332.602
Base-Backbone interact. energy: -0.854
local terms energy: -332.619340
where:
bonds (distance) C4'-P energy: -53.546
bonds (distance) P-C4' energy: -55.513
flat angles C4'-P-C4' energy: -81.023
flat angles P-C4'-P energy: -45.228
tors. eta vs tors. theta energy: -97.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -940.655081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.655081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.655081 (E_RNA)
where:
Base-Base interactions energy: -650.902
where: short stacking energy: -303.069
Base-Backbone interact. energy: -2.137
local terms energy: -287.616265
where:
bonds (distance) C4'-P energy: -44.230
bonds (distance) P-C4' energy: -61.341
flat angles C4'-P-C4' energy: -57.743
flat angles P-C4'-P energy: -46.782
tors. eta vs tors. theta energy: -77.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -860.832303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.832303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.832303 (E_RNA)
where:
Base-Base interactions energy: -552.235
where: short stacking energy: -253.809
Base-Backbone interact. energy: -1.029
local terms energy: -307.567621
where:
bonds (distance) C4'-P energy: -67.158
bonds (distance) P-C4' energy: -57.729
flat angles C4'-P-C4' energy: -64.447
flat angles P-C4'-P energy: -46.873
tors. eta vs tors. theta energy: -71.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -871.628976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.628976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.628976 (E_RNA)
where:
Base-Base interactions energy: -578.552
where: short stacking energy: -258.091
Base-Backbone interact. energy: -1.050
local terms energy: -292.027534
where:
bonds (distance) C4'-P energy: -57.821
bonds (distance) P-C4' energy: -56.251
flat angles C4'-P-C4' energy: -67.748
flat angles P-C4'-P energy: -37.908
tors. eta vs tors. theta energy: -72.299
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: 4
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -593.865100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.865100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.865100 (E_RNA)
where:
Base-Base interactions energy: -346.513
where: short stacking energy: -168.203
Base-Backbone interact. energy: 1.971
local terms energy: -249.323345
where:
bonds (distance) C4'-P energy: -60.908
bonds (distance) P-C4' energy: -60.500
flat angles C4'-P-C4' energy: -61.043
flat angles P-C4'-P energy: -36.834
tors. eta vs tors. theta energy: -30.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -593.092007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.092007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.092007 (E_RNA)
where:
Base-Base interactions energy: -357.115
where: short stacking energy: -181.582
Base-Backbone interact. energy: 0.399
local terms energy: -236.375303
where:
bonds (distance) C4'-P energy: -49.030
bonds (distance) P-C4' energy: -66.851
flat angles C4'-P-C4' energy: -42.255
flat angles P-C4'-P energy: -40.229
tors. eta vs tors. theta energy: -38.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -469.386995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.386995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.386995 (E_RNA)
where:
Base-Base interactions energy: -283.350
where: short stacking energy: -161.350
Base-Backbone interact. energy: -1.396
local terms energy: -184.641285
where:
bonds (distance) C4'-P energy: -46.132
bonds (distance) P-C4' energy: -60.368
flat angles C4'-P-C4' energy: -55.789
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -12.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -323.835009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.835009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.835009 (E_RNA)
where:
Base-Base interactions energy: -137.163
where: short stacking energy: -97.325
Base-Backbone interact. energy: -1.658
local terms energy: -185.014016
where:
bonds (distance) C4'-P energy: -54.118
bonds (distance) P-C4' energy: -63.973
flat angles C4'-P-C4' energy: -39.444
flat angles P-C4'-P energy: -15.860
tors. eta vs tors. theta energy: -11.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -1167.645664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.645664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.645664 (E_RNA)
where:
Base-Base interactions energy: -825.928
where: short stacking energy: -360.359
Base-Backbone interact. energy: -1.372
local terms energy: -340.345438
where:
bonds (distance) C4'-P energy: -58.765
bonds (distance) P-C4' energy: -69.436
flat angles C4'-P-C4' energy: -76.704
flat angles P-C4'-P energy: -38.996
tors. eta vs tors. theta energy: -96.444
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: 8
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -1111.221768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.221768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.221768 (E_RNA)
where:
Base-Base interactions energy: -782.395
where: short stacking energy: -334.749
Base-Backbone interact. energy: 0.287
local terms energy: -329.114583
where:
bonds (distance) C4'-P energy: -57.862
bonds (distance) P-C4' energy: -61.242
flat angles C4'-P-C4' energy: -74.263
flat angles P-C4'-P energy: -47.835
tors. eta vs tors. theta energy: -87.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -1007.290603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.290603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.290603 (E_RNA)
where:
Base-Base interactions energy: -670.344
where: short stacking energy: -307.093
Base-Backbone interact. energy: 0.051
local terms energy: -336.997445
where:
bonds (distance) C4'-P energy: -64.316
bonds (distance) P-C4' energy: -71.422
flat angles C4'-P-C4' energy: -72.770
flat angles P-C4'-P energy: -43.884
tors. eta vs tors. theta energy: -84.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -912.844779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.844779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.844779 (E_RNA)
where:
Base-Base interactions energy: -595.617
where: short stacking energy: -285.879
Base-Backbone interact. energy: -0.861
local terms energy: -316.366306
where:
bonds (distance) C4'-P energy: -53.662
bonds (distance) P-C4' energy: -65.657
flat angles C4'-P-C4' energy: -71.878
flat angles P-C4'-P energy: -45.627
tors. eta vs tors. theta energy: -79.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -873.809776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.809776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.809776 (E_RNA)
where:
Base-Base interactions energy: -580.965
where: short stacking energy: -258.683
Base-Backbone interact. energy: 2.297
local terms energy: -295.141856
where:
bonds (distance) C4'-P energy: -58.832
bonds (distance) P-C4' energy: -62.670
flat angles C4'-P-C4' energy: -62.594
flat angles P-C4'-P energy: -38.839
tors. eta vs tors. theta energy: -72.207
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: 112
Temperature: 1.150000
Total energy: -872.203556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.203556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.203556 (E_RNA)
where:
Base-Base interactions energy: -589.081
where: short stacking energy: -258.246
Base-Backbone interact. energy: -0.103
local terms energy: -283.019465
where:
bonds (distance) C4'-P energy: -58.980
bonds (distance) P-C4' energy: -61.772
flat angles C4'-P-C4' energy: -62.026
flat angles P-C4'-P energy: -38.633
tors. eta vs tors. theta energy: -61.608
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: 4
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -612.077031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.077031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.077031 (E_RNA)
where:
Base-Base interactions energy: -385.036
where: short stacking energy: -175.748
Base-Backbone interact. energy: 3.989
local terms energy: -231.030393
where:
bonds (distance) C4'-P energy: -55.932
bonds (distance) P-C4' energy: -55.565
flat angles C4'-P-C4' energy: -46.509
flat angles P-C4'-P energy: -31.874
tors. eta vs tors. theta energy: -41.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -513.437547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.437547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.437547 (E_RNA)
where:
Base-Base interactions energy: -304.447
where: short stacking energy: -155.410
Base-Backbone interact. energy: 2.753
local terms energy: -211.743345
where:
bonds (distance) C4'-P energy: -53.722
bonds (distance) P-C4' energy: -57.530
flat angles C4'-P-C4' energy: -49.936
flat angles P-C4'-P energy: -36.175
tors. eta vs tors. theta energy: -14.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -449.819412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.819412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.819412 (E_RNA)
where:
Base-Base interactions energy: -241.067
where: short stacking energy: -138.312
Base-Backbone interact. energy: -0.771
local terms energy: -207.980690
where:
bonds (distance) C4'-P energy: -43.135
bonds (distance) P-C4' energy: -55.647
flat angles C4'-P-C4' energy: -57.840
flat angles P-C4'-P energy: -37.921
tors. eta vs tors. theta energy: -13.438
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: 7
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -322.977648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.977648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.977648 (E_RNA)
where:
Base-Base interactions energy: -169.371
where: short stacking energy: -92.730
Base-Backbone interact. energy: -2.888
local terms energy: -150.719013
where:
bonds (distance) C4'-P energy: -42.329
bonds (distance) P-C4' energy: -46.745
flat angles C4'-P-C4' energy: -45.044
flat angles P-C4'-P energy: -21.211
tors. eta vs tors. theta energy: 4.610
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: 1
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -1162.394275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.394275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.394275 (E_RNA)
where:
Base-Base interactions energy: -808.196
where: short stacking energy: -345.756
Base-Backbone interact. energy: -0.723
local terms energy: -353.475706
where:
bonds (distance) C4'-P energy: -66.717
bonds (distance) P-C4' energy: -62.793
flat angles C4'-P-C4' energy: -78.545
flat angles P-C4'-P energy: -49.791
tors. eta vs tors. theta energy: -95.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -1086.003144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.003144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.003144 (E_RNA)
where:
Base-Base interactions energy: -760.481
where: short stacking energy: -316.842
Base-Backbone interact. energy: -0.052
local terms energy: -325.469297
where:
bonds (distance) C4'-P energy: -50.894
bonds (distance) P-C4' energy: -67.349
flat angles C4'-P-C4' energy: -73.848
flat angles P-C4'-P energy: -51.817
tors. eta vs tors. theta energy: -81.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -1007.048572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.048572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.048572 (E_RNA)
where:
Base-Base interactions energy: -688.778
where: short stacking energy: -300.986
Base-Backbone interact. energy: 1.283
local terms energy: -319.554095
where:
bonds (distance) C4'-P energy: -64.953
bonds (distance) P-C4' energy: -59.450
flat angles C4'-P-C4' energy: -69.125
flat angles P-C4'-P energy: -44.045
tors. eta vs tors. theta energy: -81.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -921.085905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.085905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.085905 (E_RNA)
where:
Base-Base interactions energy: -602.804
where: short stacking energy: -295.008
Base-Backbone interact. energy: -2.411
local terms energy: -315.870505
where:
bonds (distance) C4'-P energy: -60.936
bonds (distance) P-C4' energy: -54.415
flat angles C4'-P-C4' energy: -69.963
flat angles P-C4'-P energy: -40.326
tors. eta vs tors. theta energy: -90.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -924.376293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.376293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.376293 (E_RNA)
where:
Base-Base interactions energy: -619.250
where: short stacking energy: -276.394
Base-Backbone interact. energy: 1.922
local terms energy: -307.048470
where:
bonds (distance) C4'-P energy: -56.831
bonds (distance) P-C4' energy: -60.161
flat angles C4'-P-C4' energy: -71.330
flat angles P-C4'-P energy: -40.741
tors. eta vs tors. theta energy: -77.986
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: 6, replica: 10
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -862.942593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.942593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.942593 (E_RNA)
where:
Base-Base interactions energy: -570.329
where: short stacking energy: -242.242
Base-Backbone interact. energy: 0.296
local terms energy: -292.909684
where:
bonds (distance) C4'-P energy: -58.863
bonds (distance) P-C4' energy: -68.418
flat angles C4'-P-C4' energy: -62.125
flat angles P-C4'-P energy: -41.684
tors. eta vs tors. theta energy: -61.821
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: 4
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -640.497472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.497472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.497472 (E_RNA)
where:
Base-Base interactions energy: -386.638
where: short stacking energy: -185.683
Base-Backbone interact. energy: -1.328
local terms energy: -252.531810
where:
bonds (distance) C4'-P energy: -61.387
bonds (distance) P-C4' energy: -58.982
flat angles C4'-P-C4' energy: -52.909
flat angles P-C4'-P energy: -45.355
tors. eta vs tors. theta energy: -33.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -510.846740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.846740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.846740 (E_RNA)
where:
Base-Base interactions energy: -283.511
where: short stacking energy: -152.467
Base-Backbone interact. energy: -0.305
local terms energy: -227.031474
where:
bonds (distance) C4'-P energy: -52.593
bonds (distance) P-C4' energy: -70.604
flat angles C4'-P-C4' energy: -49.929
flat angles P-C4'-P energy: -32.828
tors. eta vs tors. theta energy: -21.077
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: 113
Temperature: 1.300000
Total energy: -480.140125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.140125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.140125 (E_RNA)
where:
Base-Base interactions energy: -270.736
where: short stacking energy: -152.445
Base-Backbone interact. energy: -0.789
local terms energy: -208.615676
where:
bonds (distance) C4'-P energy: -45.347
bonds (distance) P-C4' energy: -37.050
flat angles C4'-P-C4' energy: -64.684
flat angles P-C4'-P energy: -30.309
tors. eta vs tors. theta energy: -31.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -335.781049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.781049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.781049 (E_RNA)
where:
Base-Base interactions energy: -150.746
where: short stacking energy: -105.390
Base-Backbone interact. energy: 2.041
local terms energy: -187.076994
where:
bonds (distance) C4'-P energy: -62.362
bonds (distance) P-C4' energy: -61.643
flat angles C4'-P-C4' energy: -26.471
flat angles P-C4'-P energy: -27.573
tors. eta vs tors. theta energy: -9.028
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: 1
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -1167.476142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.476142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.476142 (E_RNA)
where:
Base-Base interactions energy: -798.893
where: short stacking energy: -348.744
Base-Backbone interact. energy: 0.314
local terms energy: -368.897259
where:
bonds (distance) C4'-P energy: -69.621
bonds (distance) P-C4' energy: -67.583
flat angles C4'-P-C4' energy: -78.668
flat angles P-C4'-P energy: -52.956
tors. eta vs tors. theta energy: -100.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -1087.732320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.732320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.732320 (E_RNA)
where:
Base-Base interactions energy: -759.652
where: short stacking energy: -328.635
Base-Backbone interact. energy: -1.927
local terms energy: -326.154146
where:
bonds (distance) C4'-P energy: -54.694
bonds (distance) P-C4' energy: -66.175
flat angles C4'-P-C4' energy: -65.555
flat angles P-C4'-P energy: -55.761
tors. eta vs tors. theta energy: -83.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -1012.653447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.653447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.653447 (E_RNA)
where:
Base-Base interactions energy: -689.974
where: short stacking energy: -304.537
Base-Backbone interact. energy: -0.755
local terms energy: -321.923858
where:
bonds (distance) C4'-P energy: -58.110
bonds (distance) P-C4' energy: -58.453
flat angles C4'-P-C4' energy: -71.252
flat angles P-C4'-P energy: -50.968
tors. eta vs tors. theta energy: -83.141
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: 4, replica: 9
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -913.618253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.618253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.618253 (E_RNA)
where:
Base-Base interactions energy: -605.789
where: short stacking energy: -285.621
Base-Backbone interact. energy: -1.493
local terms energy: -306.336481
where:
bonds (distance) C4'-P energy: -47.697
bonds (distance) P-C4' energy: -59.230
flat angles C4'-P-C4' energy: -70.795
flat angles P-C4'-P energy: -46.641
tors. eta vs tors. theta energy: -81.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -895.954946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.954946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.954946 (E_RNA)
where:
Base-Base interactions energy: -602.268
where: short stacking energy: -270.900
Base-Backbone interact. energy: 2.429
local terms energy: -296.115723
where:
bonds (distance) C4'-P energy: -67.732
bonds (distance) P-C4' energy: -59.785
flat angles C4'-P-C4' energy: -58.540
flat angles P-C4'-P energy: -37.837
tors. eta vs tors. theta energy: -72.221
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: 2
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -887.355489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.355489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.355489 (E_RNA)
where:
Base-Base interactions energy: -593.644
where: short stacking energy: -266.214
Base-Backbone interact. energy: -1.315
local terms energy: -292.395973
where:
bonds (distance) C4'-P energy: -53.653
bonds (distance) P-C4' energy: -62.566
flat angles C4'-P-C4' energy: -59.509
flat angles P-C4'-P energy: -39.414
tors. eta vs tors. theta energy: -77.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -645.046182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.046182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.046182 (E_RNA)
where:
Base-Base interactions energy: -393.840
where: short stacking energy: -193.050
Base-Backbone interact. energy: -0.816
local terms energy: -250.390177
where:
bonds (distance) C4'-P energy: -47.333
bonds (distance) P-C4' energy: -61.051
flat angles C4'-P-C4' energy: -57.812
flat angles P-C4'-P energy: -40.860
tors. eta vs tors. theta energy: -43.334
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: 6
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -498.695942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.695942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.695942 (E_RNA)
where:
Base-Base interactions energy: -254.088
where: short stacking energy: -157.171
Base-Backbone interact. energy: -0.655
local terms energy: -243.953266
where:
bonds (distance) C4'-P energy: -66.486
bonds (distance) P-C4' energy: -61.535
flat angles C4'-P-C4' energy: -63.945
flat angles P-C4'-P energy: -27.632
tors. eta vs tors. theta energy: -24.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -470.298735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.298735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.298735 (E_RNA)
where:
Base-Base interactions energy: -247.451
where: short stacking energy: -156.044
Base-Backbone interact. energy: 0.740
local terms energy: -223.587663
where:
bonds (distance) C4'-P energy: -51.487
bonds (distance) P-C4' energy: -53.343
flat angles C4'-P-C4' energy: -56.557
flat angles P-C4'-P energy: -42.302
tors. eta vs tors. theta energy: -19.899
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: 7
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -390.119543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.119543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.119543 (E_RNA)
where:
Base-Base interactions energy: -159.825
where: short stacking energy: -97.278
Base-Backbone interact. energy: -2.156
local terms energy: -228.138702
where:
bonds (distance) C4'-P energy: -49.918
bonds (distance) P-C4' energy: -58.288
flat angles C4'-P-C4' energy: -60.019
flat angles P-C4'-P energy: -35.347
tors. eta vs tors. theta energy: -24.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -1159.354612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.354612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.354612 (E_RNA)
where:
Base-Base interactions energy: -788.331
where: short stacking energy: -342.339
Base-Backbone interact. energy: -1.330
local terms energy: -369.693344
where:
bonds (distance) C4'-P energy: -70.089
bonds (distance) P-C4' energy: -66.125
flat angles C4'-P-C4' energy: -74.601
flat angles P-C4'-P energy: -52.864
tors. eta vs tors. theta energy: -106.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -1087.966260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.966260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.966260 (E_RNA)
where:
Base-Base interactions energy: -763.490
where: short stacking energy: -326.012
Base-Backbone interact. energy: -3.022
local terms energy: -321.453996
where:
bonds (distance) C4'-P energy: -64.627
bonds (distance) P-C4' energy: -59.933
flat angles C4'-P-C4' energy: -66.688
flat angles P-C4'-P energy: -46.075
tors. eta vs tors. theta energy: -84.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -1012.192576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.192576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.192576 (E_RNA)
where:
Base-Base interactions energy: -685.204
where: short stacking energy: -286.500
Base-Backbone interact. energy: -0.947
local terms energy: -326.041200
where:
bonds (distance) C4'-P energy: -56.637
bonds (distance) P-C4' energy: -63.845
flat angles C4'-P-C4' energy: -73.806
flat angles P-C4'-P energy: -50.356
tors. eta vs tors. theta energy: -81.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -916.341159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.341159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.341159 (E_RNA)
where:
Base-Base interactions energy: -599.448
where: short stacking energy: -292.867
Base-Backbone interact. energy: -0.650
local terms energy: -316.242687
where:
bonds (distance) C4'-P energy: -48.189
bonds (distance) P-C4' energy: -67.496
flat angles C4'-P-C4' energy: -70.014
flat angles P-C4'-P energy: -45.542
tors. eta vs tors. theta energy: -85.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -886.842316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.842316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.842316 (E_RNA)
where:
Base-Base interactions energy: -585.712
where: short stacking energy: -275.397
Base-Backbone interact. energy: 0.429
local terms energy: -301.559091
where:
bonds (distance) C4'-P energy: -62.052
bonds (distance) P-C4' energy: -52.419
flat angles C4'-P-C4' energy: -67.581
flat angles P-C4'-P energy: -53.469
tors. eta vs tors. theta energy: -66.038
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: 2
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -895.825717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.825717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.825717 (E_RNA)
where:
Base-Base interactions energy: -616.569
where: short stacking energy: -277.291
Base-Backbone interact. energy: -1.548
local terms energy: -277.709382
where:
bonds (distance) C4'-P energy: -51.807
bonds (distance) P-C4' energy: -53.686
flat angles C4'-P-C4' energy: -63.736
flat angles P-C4'-P energy: -31.380
tors. eta vs tors. theta energy: -77.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -608.672492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.672492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.672492 (E_RNA)
where:
Base-Base interactions energy: -392.515
where: short stacking energy: -192.268
Base-Backbone interact. energy: -1.353
local terms energy: -214.804704
where:
bonds (distance) C4'-P energy: -51.781
bonds (distance) P-C4' energy: -55.693
flat angles C4'-P-C4' energy: -49.045
flat angles P-C4'-P energy: -27.152
tors. eta vs tors. theta energy: -31.134
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: 6
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -519.660335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.660335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.660335 (E_RNA)
where:
Base-Base interactions energy: -272.705
where: short stacking energy: -160.526
Base-Backbone interact. energy: 2.960
local terms energy: -249.915190
where:
bonds (distance) C4'-P energy: -60.383
bonds (distance) P-C4' energy: -61.541
flat angles C4'-P-C4' energy: -54.988
flat angles P-C4'-P energy: -49.718
tors. eta vs tors. theta energy: -23.285
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: 5
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -443.650694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.650694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.650694 (E_RNA)
where:
Base-Base interactions energy: -228.670
where: short stacking energy: -118.385
Base-Backbone interact. energy: -0.041
local terms energy: -214.939877
where:
bonds (distance) C4'-P energy: -52.229
bonds (distance) P-C4' energy: -64.135
flat angles C4'-P-C4' energy: -56.775
flat angles P-C4'-P energy: -20.115
tors. eta vs tors. theta energy: -21.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -350.264076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.264076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.264076 (E_RNA)
where:
Base-Base interactions energy: -160.292
where: short stacking energy: -91.621
Base-Backbone interact. energy: -1.684
local terms energy: -188.288714
where:
bonds (distance) C4'-P energy: -57.695
bonds (distance) P-C4' energy: -55.154
flat angles C4'-P-C4' energy: -48.430
flat angles P-C4'-P energy: -28.372
tors. eta vs tors. theta energy: 1.363
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: 1
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -1162.238664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.238664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.238664 (E_RNA)
where:
Base-Base interactions energy: -797.552
where: short stacking energy: -339.211
Base-Backbone interact. energy: -0.712
local terms energy: -363.974625
where:
bonds (distance) C4'-P energy: -66.095
bonds (distance) P-C4' energy: -66.347
flat angles C4'-P-C4' energy: -75.309
flat angles P-C4'-P energy: -49.247
tors. eta vs tors. theta energy: -106.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -1084.757205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.757205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.757205 (E_RNA)
where:
Base-Base interactions energy: -738.985
where: short stacking energy: -347.570
Base-Backbone interact. energy: -2.455
local terms energy: -343.317632
where:
bonds (distance) C4'-P energy: -66.521
bonds (distance) P-C4' energy: -60.872
flat angles C4'-P-C4' energy: -74.259
flat angles P-C4'-P energy: -46.386
tors. eta vs tors. theta energy: -95.281
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: 3
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -1013.380368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.380368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.380368 (E_RNA)
where:
Base-Base interactions energy: -684.510
where: short stacking energy: -290.064
Base-Backbone interact. energy: -1.588
local terms energy: -327.282046
where:
bonds (distance) C4'-P energy: -65.214
bonds (distance) P-C4' energy: -64.124
flat angles C4'-P-C4' energy: -62.952
flat angles P-C4'-P energy: -46.544
tors. eta vs tors. theta energy: -88.448
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: 9
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -961.860263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.860263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.860263 (E_RNA)
where:
Base-Base interactions energy: -638.853
where: short stacking energy: -298.418
Base-Backbone interact. energy: 0.441
local terms energy: -323.448988
where:
bonds (distance) C4'-P energy: -64.551
bonds (distance) P-C4' energy: -57.798
flat angles C4'-P-C4' energy: -69.478
flat angles P-C4'-P energy: -44.341
tors. eta vs tors. theta energy: -87.281
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: 2
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -938.920050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.920050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.920050 (E_RNA)
where:
Base-Base interactions energy: -618.636
where: short stacking energy: -292.419
Base-Backbone interact. energy: -1.526
local terms energy: -318.758215
where:
bonds (distance) C4'-P energy: -63.773
bonds (distance) P-C4' energy: -59.778
flat angles C4'-P-C4' energy: -71.637
flat angles P-C4'-P energy: -45.058
tors. eta vs tors. theta energy: -78.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -842.088047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.088047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.088047 (E_RNA)
where:
Base-Base interactions energy: -578.967
where: short stacking energy: -245.225
Base-Backbone interact. energy: -1.641
local terms energy: -261.479997
where:
bonds (distance) C4'-P energy: -59.111
bonds (distance) P-C4' energy: -30.725
flat angles C4'-P-C4' energy: -64.322
flat angles P-C4'-P energy: -40.948
tors. eta vs tors. theta energy: -66.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -653.253702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.253702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.253702 (E_RNA)
where:
Base-Base interactions energy: -402.308
where: short stacking energy: -193.096
Base-Backbone interact. energy: -1.885
local terms energy: -249.060623
where:
bonds (distance) C4'-P energy: -54.008
bonds (distance) P-C4' energy: -68.966
flat angles C4'-P-C4' energy: -53.919
flat angles P-C4'-P energy: -32.227
tors. eta vs tors. theta energy: -39.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -531.917034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.917034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.917034 (E_RNA)
where:
Base-Base interactions energy: -297.205
where: short stacking energy: -146.355
Base-Backbone interact. energy: 0.218
local terms energy: -234.930948
where:
bonds (distance) C4'-P energy: -44.683
bonds (distance) P-C4' energy: -64.272
flat angles C4'-P-C4' energy: -57.830
flat angles P-C4'-P energy: -47.311
tors. eta vs tors. theta energy: -20.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -459.665921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.665921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.665921 (E_RNA)
where:
Base-Base interactions energy: -261.062
where: short stacking energy: -130.509
Base-Backbone interact. energy: -0.863
local terms energy: -197.740679
where:
bonds (distance) C4'-P energy: -61.244
bonds (distance) P-C4' energy: -61.496
flat angles C4'-P-C4' energy: -51.555
flat angles P-C4'-P energy: -21.771
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: 7
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -324.247747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.247747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.247747 (E_RNA)
where:
Base-Base interactions energy: -128.692
where: short stacking energy: -85.530
Base-Backbone interact. energy: -0.979
local terms energy: -194.577307
where:
bonds (distance) C4'-P energy: -63.106
bonds (distance) P-C4' energy: -66.689
flat angles C4'-P-C4' energy: -44.912
flat angles P-C4'-P energy: -25.054
tors. eta vs tors. theta energy: 5.184
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: 1
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -1162.614417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.614417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.614417 (E_RNA)
where:
Base-Base interactions energy: -810.494
where: short stacking energy: -338.783
Base-Backbone interact. energy: 1.046
local terms energy: -353.167212
where:
bonds (distance) C4'-P energy: -62.763
bonds (distance) P-C4' energy: -68.450
flat angles C4'-P-C4' energy: -65.310
flat angles P-C4'-P energy: -56.573
tors. eta vs tors. theta energy: -100.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -1069.047761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.047761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.047761 (E_RNA)
where:
Base-Base interactions energy: -734.523
where: short stacking energy: -325.372
Base-Backbone interact. energy: -0.283
local terms energy: -334.242277
where:
bonds (distance) C4'-P energy: -61.986
bonds (distance) P-C4' energy: -62.087
flat angles C4'-P-C4' energy: -74.799
flat angles P-C4'-P energy: -48.588
tors. eta vs tors. theta energy: -86.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -1017.033434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.033434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.033434 (E_RNA)
where:
Base-Base interactions energy: -671.327
where: short stacking energy: -313.778
Base-Backbone interact. energy: -1.445
local terms energy: -344.262237
where:
bonds (distance) C4'-P energy: -53.131
bonds (distance) P-C4' energy: -65.221
flat angles C4'-P-C4' energy: -76.803
flat angles P-C4'-P energy: -56.017
tors. eta vs tors. theta energy: -93.090
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: 9
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -925.631414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.631414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.631414 (E_RNA)
where:
Base-Base interactions energy: -616.348
where: short stacking energy: -292.916
Base-Backbone interact. energy: 2.396
local terms energy: -311.678627
where:
bonds (distance) C4'-P energy: -54.604
bonds (distance) P-C4' energy: -62.823
flat angles C4'-P-C4' energy: -69.072
flat angles P-C4'-P energy: -42.401
tors. eta vs tors. theta energy: -82.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -950.758499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.758499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.758499 (E_RNA)
where:
Base-Base interactions energy: -644.842
where: short stacking energy: -281.946
Base-Backbone interact. energy: -1.138
local terms energy: -304.778602
where:
bonds (distance) C4'-P energy: -57.401
bonds (distance) P-C4' energy: -66.480
flat angles C4'-P-C4' energy: -63.093
flat angles P-C4'-P energy: -40.683
tors. eta vs tors. theta energy: -77.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -861.270254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.270254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.270254 (E_RNA)
where:
Base-Base interactions energy: -571.100
where: short stacking energy: -255.597
Base-Backbone interact. energy: -1.108
local terms energy: -289.062543
where:
bonds (distance) C4'-P energy: -51.623
bonds (distance) P-C4' energy: -59.976
flat angles C4'-P-C4' energy: -59.947
flat angles P-C4'-P energy: -43.573
tors. eta vs tors. theta energy: -73.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -658.382097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.382097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.382097 (E_RNA)
where:
Base-Base interactions energy: -423.965
where: short stacking energy: -219.303
Base-Backbone interact. energy: -0.226
local terms energy: -234.191396
where:
bonds (distance) C4'-P energy: -48.333
bonds (distance) P-C4' energy: -58.105
flat angles C4'-P-C4' energy: -55.268
flat angles P-C4'-P energy: -30.574
tors. eta vs tors. theta energy: -41.911
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: 8, replica: 6
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -546.175788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.175788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.175788 (E_RNA)
where:
Base-Base interactions energy: -329.970
where: short stacking energy: -183.386
Base-Backbone interact. energy: -0.575
local terms energy: -215.630388
where:
bonds (distance) C4'-P energy: -51.448
bonds (distance) P-C4' energy: -57.079
flat angles C4'-P-C4' energy: -44.275
flat angles P-C4'-P energy: -30.552
tors. eta vs tors. theta energy: -32.276
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: 9, replica: 5
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -439.483182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.483182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.483182 (E_RNA)
where:
Base-Base interactions energy: -239.266
where: short stacking energy: -146.200
Base-Backbone interact. energy: -0.455
local terms energy: -199.761922
where:
bonds (distance) C4'-P energy: -51.844
bonds (distance) P-C4' energy: -62.672
flat angles C4'-P-C4' energy: -48.288
flat angles P-C4'-P energy: -31.647
tors. eta vs tors. theta energy: -5.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -281.450049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.450049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.450049 (E_RNA)
where:
Base-Base interactions energy: -98.442
where: short stacking energy: -80.130
Base-Backbone interact. energy: -0.639
local terms energy: -182.369660
where:
bonds (distance) C4'-P energy: -54.608
bonds (distance) P-C4' energy: -61.966
flat angles C4'-P-C4' energy: -39.390
flat angles P-C4'-P energy: -38.602
tors. eta vs tors. theta energy: 12.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -1169.901480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.901480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.901480 (E_RNA)
where:
Base-Base interactions energy: -820.815
where: short stacking energy: -349.907
Base-Backbone interact. energy: -1.913
local terms energy: -347.173621
where:
bonds (distance) C4'-P energy: -67.177
bonds (distance) P-C4' energy: -60.143
flat angles C4'-P-C4' energy: -67.492
flat angles P-C4'-P energy: -45.872
tors. eta vs tors. theta energy: -106.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -1083.471055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.471055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.471055 (E_RNA)
where:
Base-Base interactions energy: -736.328
where: short stacking energy: -325.911
Base-Backbone interact. energy: -3.313
local terms energy: -343.829818
where:
bonds (distance) C4'-P energy: -69.660
bonds (distance) P-C4' energy: -67.821
flat angles C4'-P-C4' energy: -62.416
flat angles P-C4'-P energy: -51.621
tors. eta vs tors. theta energy: -92.312
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: 3
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -1022.709058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.709058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.709058 (E_RNA)
where:
Base-Base interactions energy: -688.268
where: short stacking energy: -325.786
Base-Backbone interact. energy: 0.359
local terms energy: -334.800158
where:
bonds (distance) C4'-P energy: -72.033
bonds (distance) P-C4' energy: -61.656
flat angles C4'-P-C4' energy: -74.068
flat angles P-C4'-P energy: -32.551
tors. eta vs tors. theta energy: -94.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -952.514965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.514965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.514965 (E_RNA)
where:
Base-Base interactions energy: -616.393
where: short stacking energy: -302.336
Base-Backbone interact. energy: -1.005
local terms energy: -335.117036
where:
bonds (distance) C4'-P energy: -56.774
bonds (distance) P-C4' energy: -64.848
flat angles C4'-P-C4' energy: -67.859
flat angles P-C4'-P energy: -51.708
tors. eta vs tors. theta energy: -93.929
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: 5, replica: 2
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -942.697318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.697318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.697318 (E_RNA)
where:
Base-Base interactions energy: -625.062
where: short stacking energy: -264.306
Base-Backbone interact. energy: -0.432
local terms energy: -317.203364
where:
bonds (distance) C4'-P energy: -62.239
bonds (distance) P-C4' energy: -69.103
flat angles C4'-P-C4' energy: -65.904
flat angles P-C4'-P energy: -50.492
tors. eta vs tors. theta energy: -69.466
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: 10
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -873.347142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.347142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.347142 (E_RNA)
where:
Base-Base interactions energy: -560.303
where: short stacking energy: -242.680
Base-Backbone interact. energy: -0.138
local terms energy: -312.905648
where:
bonds (distance) C4'-P energy: -70.224
bonds (distance) P-C4' energy: -51.980
flat angles C4'-P-C4' energy: -67.108
flat angles P-C4'-P energy: -57.549
tors. eta vs tors. theta energy: -66.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -653.952760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.952760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.952760 (E_RNA)
where:
Base-Base interactions energy: -400.140
where: short stacking energy: -203.586
Base-Backbone interact. energy: -0.229
local terms energy: -253.583769
where:
bonds (distance) C4'-P energy: -66.812
bonds (distance) P-C4' energy: -56.718
flat angles C4'-P-C4' energy: -59.504
flat angles P-C4'-P energy: -32.846
tors. eta vs tors. theta energy: -37.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -548.951721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.951721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.951721 (E_RNA)
where:
Base-Base interactions energy: -343.875
where: short stacking energy: -166.911
Base-Backbone interact. energy: -0.654
local terms energy: -204.422433
where:
bonds (distance) C4'-P energy: -37.916
bonds (distance) P-C4' energy: -59.012
flat angles C4'-P-C4' energy: -55.488
flat angles P-C4'-P energy: -26.011
tors. eta vs tors. theta energy: -25.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -451.675109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.675109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.675109 (E_RNA)
where:
Base-Base interactions energy: -234.382
where: short stacking energy: -139.846
Base-Backbone interact. energy: -0.649
local terms energy: -216.644680
where:
bonds (distance) C4'-P energy: -46.449
bonds (distance) P-C4' energy: -52.838
flat angles C4'-P-C4' energy: -55.701
flat angles P-C4'-P energy: -39.328
tors. eta vs tors. theta energy: -22.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -313.120631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.120631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.120631 (E_RNA)
where:
Base-Base interactions energy: -141.480
where: short stacking energy: -107.861
Base-Backbone interact. energy: 1.536
local terms energy: -173.176810
where:
bonds (distance) C4'-P energy: -58.059
bonds (distance) P-C4' energy: -55.238
flat angles C4'-P-C4' energy: -38.224
flat angles P-C4'-P energy: -23.129
tors. eta vs tors. theta energy: 1.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -1161.718823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.718823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.718823 (E_RNA)
where:
Base-Base interactions energy: -819.931
where: short stacking energy: -346.946
Base-Backbone interact. energy: -0.451
local terms energy: -341.336947
where:
bonds (distance) C4'-P energy: -61.753
bonds (distance) P-C4' energy: -61.201
flat angles C4'-P-C4' energy: -72.180
flat angles P-C4'-P energy: -47.635
tors. eta vs tors. theta energy: -98.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -1089.493603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.493603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.493603 (E_RNA)
where:
Base-Base interactions energy: -746.097
where: short stacking energy: -343.011
Base-Backbone interact. energy: -1.026
local terms energy: -342.370700
where:
bonds (distance) C4'-P energy: -68.064
bonds (distance) P-C4' energy: -65.127
flat angles C4'-P-C4' energy: -74.620
flat angles P-C4'-P energy: -42.270
tors. eta vs tors. theta energy: -92.290
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: 3
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -1026.422392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.422392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.422392 (E_RNA)
where:
Base-Base interactions energy: -680.650
where: short stacking energy: -305.288
Base-Backbone interact. energy: -0.671
local terms energy: -345.101564
where:
bonds (distance) C4'-P energy: -55.218
bonds (distance) P-C4' energy: -72.207
flat angles C4'-P-C4' energy: -67.391
flat angles P-C4'-P energy: -59.444
tors. eta vs tors. theta energy: -90.841
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: 2
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -977.387542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.387542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.387542 (E_RNA)
where:
Base-Base interactions energy: -652.154
where: short stacking energy: -275.653
Base-Backbone interact. energy: -2.742
local terms energy: -322.491875
where:
bonds (distance) C4'-P energy: -61.609
bonds (distance) P-C4' energy: -64.655
flat angles C4'-P-C4' energy: -61.131
flat angles P-C4'-P energy: -50.465
tors. eta vs tors. theta energy: -84.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -917.319080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.319080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.319080 (E_RNA)
where:
Base-Base interactions energy: -580.389
where: short stacking energy: -279.602
Base-Backbone interact. energy: -1.397
local terms energy: -335.533212
where:
bonds (distance) C4'-P energy: -55.574
bonds (distance) P-C4' energy: -76.282
flat angles C4'-P-C4' energy: -76.400
flat angles P-C4'-P energy: -41.542
tors. eta vs tors. theta energy: -85.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -886.831534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.831534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.831534 (E_RNA)
where:
Base-Base interactions energy: -597.278
where: short stacking energy: -268.780
Base-Backbone interact. energy: -0.291
local terms energy: -289.262323
where:
bonds (distance) C4'-P energy: -51.018
bonds (distance) P-C4' energy: -54.519
flat angles C4'-P-C4' energy: -65.871
flat angles P-C4'-P energy: -37.801
tors. eta vs tors. theta energy: -80.053
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: 7, replica: 4
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -653.580235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.580235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.580235 (E_RNA)
where:
Base-Base interactions energy: -404.462
where: short stacking energy: -181.800
Base-Backbone interact. energy: -0.788
local terms energy: -248.330365
where:
bonds (distance) C4'-P energy: -55.845
bonds (distance) P-C4' energy: -59.694
flat angles C4'-P-C4' energy: -55.039
flat angles P-C4'-P energy: -36.944
tors. eta vs tors. theta energy: -40.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -528.899532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.899532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.899532 (E_RNA)
where:
Base-Base interactions energy: -298.845
where: short stacking energy: -154.260
Base-Backbone interact. energy: 0.783
local terms energy: -230.837489
where:
bonds (distance) C4'-P energy: -59.827
bonds (distance) P-C4' energy: -56.071
flat angles C4'-P-C4' energy: -58.049
flat angles P-C4'-P energy: -32.633
tors. eta vs tors. theta energy: -24.257
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: 119
Temperature: 1.300000
Total energy: -461.009745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.009745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.009745 (E_RNA)
where:
Base-Base interactions energy: -255.938
where: short stacking energy: -134.674
Base-Backbone interact. energy: 2.861
local terms energy: -207.932151
where:
bonds (distance) C4'-P energy: -49.238
bonds (distance) P-C4' energy: -60.056
flat angles C4'-P-C4' energy: -52.907
flat angles P-C4'-P energy: -30.463
tors. eta vs tors. theta energy: -15.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -285.678660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.678660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.678660 (E_RNA)
where:
Base-Base interactions energy: -113.047
where: short stacking energy: -75.236
Base-Backbone interact. energy: -0.396
local terms energy: -172.236053
where:
bonds (distance) C4'-P energy: -58.850
bonds (distance) P-C4' energy: -54.474
flat angles C4'-P-C4' energy: -47.386
flat angles P-C4'-P energy: -25.124
tors. eta vs tors. theta energy: 13.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -1152.558268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.558268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.558268 (E_RNA)
where:
Base-Base interactions energy: -811.136
where: short stacking energy: -341.612
Base-Backbone interact. energy: 0.886
local terms energy: -342.308331
where:
bonds (distance) C4'-P energy: -59.178
bonds (distance) P-C4' energy: -66.052
flat angles C4'-P-C4' energy: -74.859
flat angles P-C4'-P energy: -47.745
tors. eta vs tors. theta energy: -94.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -1097.012964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.012964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.012964 (E_RNA)
where:
Base-Base interactions energy: -761.351
where: short stacking energy: -343.306
Base-Backbone interact. energy: 1.441
local terms energy: -337.103396
where:
bonds (distance) C4'-P energy: -61.868
bonds (distance) P-C4' energy: -72.251
flat angles C4'-P-C4' energy: -65.311
flat angles P-C4'-P energy: -44.270
tors. eta vs tors. theta energy: -93.404
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: 3
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -1014.491818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.491818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.491818 (E_RNA)
where:
Base-Base interactions energy: -678.456
where: short stacking energy: -301.065
Base-Backbone interact. energy: -0.234
local terms energy: -335.801588
where:
bonds (distance) C4'-P energy: -65.661
bonds (distance) P-C4' energy: -67.131
flat angles C4'-P-C4' energy: -77.822
flat angles P-C4'-P energy: -40.395
tors. eta vs tors. theta energy: -84.792
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: 4, replica: 2
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -943.145694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.145694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.145694 (E_RNA)
where:
Base-Base interactions energy: -622.301
where: short stacking energy: -280.039
Base-Backbone interact. energy: -0.940
local terms energy: -319.904520
where:
bonds (distance) C4'-P energy: -58.158
bonds (distance) P-C4' energy: -61.275
flat angles C4'-P-C4' energy: -79.077
flat angles P-C4'-P energy: -45.378
tors. eta vs tors. theta energy: -76.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -943.200617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.200617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.200617 (E_RNA)
where:
Base-Base interactions energy: -601.823
where: short stacking energy: -279.476
Base-Backbone interact. energy: -0.685
local terms energy: -340.692034
where:
bonds (distance) C4'-P energy: -73.525
bonds (distance) P-C4' energy: -73.195
flat angles C4'-P-C4' energy: -71.699
flat angles P-C4'-P energy: -45.352
tors. eta vs tors. theta energy: -76.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -902.834340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.834340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.834340 (E_RNA)
where:
Base-Base interactions energy: -602.398
where: short stacking energy: -263.621
Base-Backbone interact. energy: 2.061
local terms energy: -302.497597
where:
bonds (distance) C4'-P energy: -61.628
bonds (distance) P-C4' energy: -67.324
flat angles C4'-P-C4' energy: -60.928
flat angles P-C4'-P energy: -44.940
tors. eta vs tors. theta energy: -67.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -619.046133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.046133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.046133 (E_RNA)
where:
Base-Base interactions energy: -381.867
where: short stacking energy: -193.348
Base-Backbone interact. energy: 2.550
local terms energy: -239.728668
where:
bonds (distance) C4'-P energy: -38.435
bonds (distance) P-C4' energy: -65.230
flat angles C4'-P-C4' energy: -50.753
flat angles P-C4'-P energy: -38.275
tors. eta vs tors. theta energy: -47.036
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: 6
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -493.415817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.415817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.415817 (E_RNA)
where:
Base-Base interactions energy: -296.948
where: short stacking energy: -148.513
Base-Backbone interact. energy: -0.132
local terms energy: -196.335249
where:
bonds (distance) C4'-P energy: -40.273
bonds (distance) P-C4' energy: -49.377
flat angles C4'-P-C4' energy: -59.239
flat angles P-C4'-P energy: -25.804
tors. eta vs tors. theta energy: -21.642
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: 5
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -461.031142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.031142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.031142 (E_RNA)
where:
Base-Base interactions energy: -249.627
where: short stacking energy: -140.310
Base-Backbone interact. energy: 0.404
local terms energy: -211.808791
where:
bonds (distance) C4'-P energy: -44.728
bonds (distance) P-C4' energy: -63.221
flat angles C4'-P-C4' energy: -53.899
flat angles P-C4'-P energy: -39.362
tors. eta vs tors. theta energy: -10.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -326.907726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.907726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.907726 (E_RNA)
where:
Base-Base interactions energy: -167.754
where: short stacking energy: -100.133
Base-Backbone interact. energy: -1.311
local terms energy: -157.843712
where:
bonds (distance) C4'-P energy: -46.766
bonds (distance) P-C4' energy: -55.566
flat angles C4'-P-C4' energy: -23.134
flat angles P-C4'-P energy: -26.217
tors. eta vs tors. theta energy: -6.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -1161.072123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.072123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.072123 (E_RNA)
where:
Base-Base interactions energy: -792.399
where: short stacking energy: -339.144
Base-Backbone interact. energy: -0.367
local terms energy: -368.305591
where:
bonds (distance) C4'-P energy: -72.640
bonds (distance) P-C4' energy: -66.876
flat angles C4'-P-C4' energy: -71.499
flat angles P-C4'-P energy: -58.625
tors. eta vs tors. theta energy: -98.666
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: 8
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -1083.616827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.616827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.616827 (E_RNA)
where:
Base-Base interactions energy: -743.174
where: short stacking energy: -325.564
Base-Backbone interact. energy: 0.465
local terms energy: -340.908173
where:
bonds (distance) C4'-P energy: -69.748
bonds (distance) P-C4' energy: -65.852
flat angles C4'-P-C4' energy: -72.777
flat angles P-C4'-P energy: -45.258
tors. eta vs tors. theta energy: -87.273
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: 3
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -1044.437832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.437832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.437832 (E_RNA)
where:
Base-Base interactions energy: -705.406
where: short stacking energy: -335.402
Base-Backbone interact. energy: 0.287
local terms energy: -339.319079
where:
bonds (distance) C4'-P energy: -61.695
bonds (distance) P-C4' energy: -66.980
flat angles C4'-P-C4' energy: -71.125
flat angles P-C4'-P energy: -48.300
tors. eta vs tors. theta energy: -91.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -948.300837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.300837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.300837 (E_RNA)
where:
Base-Base interactions energy: -637.381
where: short stacking energy: -292.846
Base-Backbone interact. energy: -1.804
local terms energy: -309.115664
where:
bonds (distance) C4'-P energy: -54.450
bonds (distance) P-C4' energy: -62.535
flat angles C4'-P-C4' energy: -70.572
flat angles P-C4'-P energy: -46.043
tors. eta vs tors. theta energy: -75.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -904.948273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.948273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.948273 (E_RNA)
where:
Base-Base interactions energy: -594.736
where: short stacking energy: -280.832
Base-Backbone interact. energy: 0.010
local terms energy: -310.222666
where:
bonds (distance) C4'-P energy: -47.378
bonds (distance) P-C4' energy: -63.645
flat angles C4'-P-C4' energy: -79.161
flat angles P-C4'-P energy: -44.441
tors. eta vs tors. theta energy: -75.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -920.753962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.753962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.753962 (E_RNA)
where:
Base-Base interactions energy: -616.318
where: short stacking energy: -268.374
Base-Backbone interact. energy: 0.237
local terms energy: -304.673215
where:
bonds (distance) C4'-P energy: -59.008
bonds (distance) P-C4' energy: -70.302
flat angles C4'-P-C4' energy: -69.515
flat angles P-C4'-P energy: -43.352
tors. eta vs tors. theta energy: -62.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -630.467080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.467080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.467080 (E_RNA)
where:
Base-Base interactions energy: -377.307
where: short stacking energy: -190.843
Base-Backbone interact. energy: 1.611
local terms energy: -254.770721
where:
bonds (distance) C4'-P energy: -59.199
bonds (distance) P-C4' energy: -59.502
flat angles C4'-P-C4' energy: -63.227
flat angles P-C4'-P energy: -34.827
tors. eta vs tors. theta energy: -38.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -527.485179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.485179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.485179 (E_RNA)
where:
Base-Base interactions energy: -301.560
where: short stacking energy: -167.249
Base-Backbone interact. energy: -0.844
local terms energy: -225.081670
where:
bonds (distance) C4'-P energy: -54.877
bonds (distance) P-C4' energy: -54.589
flat angles C4'-P-C4' energy: -58.765
flat angles P-C4'-P energy: -31.117
tors. eta vs tors. theta energy: -25.735
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: 5
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -440.304160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.304160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.304160 (E_RNA)
where:
Base-Base interactions energy: -234.656
where: short stacking energy: -139.210
Base-Backbone interact. energy: 0.294
local terms energy: -205.942077
where:
bonds (distance) C4'-P energy: -58.014
bonds (distance) P-C4' energy: -54.018
flat angles C4'-P-C4' energy: -51.387
flat angles P-C4'-P energy: -31.617
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: 10, replica: 7
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -328.414651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.414651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.414651 (E_RNA)
where:
Base-Base interactions energy: -143.258
where: short stacking energy: -88.823
Base-Backbone interact. energy: -0.238
local terms energy: -184.918710
where:
bonds (distance) C4'-P energy: -45.595
bonds (distance) P-C4' energy: -73.387
flat angles C4'-P-C4' energy: -42.849
flat angles P-C4'-P energy: -27.227
tors. eta vs tors. theta energy: 4.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -1165.672104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.672104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.672104 (E_RNA)
where:
Base-Base interactions energy: -801.079
where: short stacking energy: -359.346
Base-Backbone interact. energy: 1.275
local terms energy: -365.868078
where:
bonds (distance) C4'-P energy: -66.582
bonds (distance) P-C4' energy: -66.635
flat angles C4'-P-C4' energy: -80.333
flat angles P-C4'-P energy: -52.623
tors. eta vs tors. theta energy: -99.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -1100.522354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.522354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.522354 (E_RNA)
where:
Base-Base interactions energy: -764.249
where: short stacking energy: -340.291
Base-Backbone interact. energy: -1.197
local terms energy: -335.075776
where:
bonds (distance) C4'-P energy: -60.836
bonds (distance) P-C4' energy: -61.425
flat angles C4'-P-C4' energy: -77.621
flat angles P-C4'-P energy: -48.277
tors. eta vs tors. theta energy: -86.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -1031.717109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.717109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.717109 (E_RNA)
where:
Base-Base interactions energy: -706.750
where: short stacking energy: -313.853
Base-Backbone interact. energy: -0.152
local terms energy: -324.815861
where:
bonds (distance) C4'-P energy: -60.290
bonds (distance) P-C4' energy: -59.766
flat angles C4'-P-C4' energy: -67.899
flat angles P-C4'-P energy: -53.123
tors. eta vs tors. theta energy: -83.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -930.299765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.299765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.299765 (E_RNA)
where:
Base-Base interactions energy: -637.417
where: short stacking energy: -297.645
Base-Backbone interact. energy: 1.622
local terms energy: -294.505137
where:
bonds (distance) C4'-P energy: -60.539
bonds (distance) P-C4' energy: -75.615
flat angles C4'-P-C4' energy: -55.788
flat angles P-C4'-P energy: -34.411
tors. eta vs tors. theta energy: -68.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -902.305493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.305493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.305493 (E_RNA)
where:
Base-Base interactions energy: -602.364
where: short stacking energy: -295.649
Base-Backbone interact. energy: 0.107
local terms energy: -300.047817
where:
bonds (distance) C4'-P energy: -58.902
bonds (distance) P-C4' energy: -55.531
flat angles C4'-P-C4' energy: -60.693
flat angles P-C4'-P energy: -45.582
tors. eta vs tors. theta energy: -79.340
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: 6, replica: 10
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -844.832926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.832926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.832926 (E_RNA)
where:
Base-Base interactions energy: -554.703
where: short stacking energy: -248.991
Base-Backbone interact. energy: -1.002
local terms energy: -289.128265
where:
bonds (distance) C4'-P energy: -62.687
bonds (distance) P-C4' energy: -58.773
flat angles C4'-P-C4' energy: -67.608
flat angles P-C4'-P energy: -31.505
tors. eta vs tors. theta energy: -68.555
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: 4
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -647.858259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.858259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.858259 (E_RNA)
where:
Base-Base interactions energy: -417.110
where: short stacking energy: -194.116
Base-Backbone interact. energy: 1.212
local terms energy: -231.960586
where:
bonds (distance) C4'-P energy: -40.910
bonds (distance) P-C4' energy: -58.484
flat angles C4'-P-C4' energy: -53.955
flat angles P-C4'-P energy: -35.371
tors. eta vs tors. theta energy: -43.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -513.788341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.788341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.788341 (E_RNA)
where:
Base-Base interactions energy: -289.235
where: short stacking energy: -162.058
Base-Backbone interact. energy: -0.091
local terms energy: -224.462216
where:
bonds (distance) C4'-P energy: -51.642
bonds (distance) P-C4' energy: -53.929
flat angles C4'-P-C4' energy: -52.599
flat angles P-C4'-P energy: -35.858
tors. eta vs tors. theta energy: -30.433
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: 5
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -455.705001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.705001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.705001 (E_RNA)
where:
Base-Base interactions energy: -251.881
where: short stacking energy: -148.587
Base-Backbone interact. energy: -2.197
local terms energy: -201.627256
where:
bonds (distance) C4'-P energy: -55.077
bonds (distance) P-C4' energy: -53.541
flat angles C4'-P-C4' energy: -54.992
flat angles P-C4'-P energy: -25.992
tors. eta vs tors. theta energy: -12.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -304.024003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.024003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.024003 (E_RNA)
where:
Base-Base interactions energy: -139.799
where: short stacking energy: -92.925
Base-Backbone interact. energy: 2.935
local terms energy: -167.159896
where:
bonds (distance) C4'-P energy: -54.773
bonds (distance) P-C4' energy: -48.675
flat angles C4'-P-C4' energy: -50.190
flat angles P-C4'-P energy: -19.724
tors. eta vs tors. theta energy: 6.202
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: 1
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -1174.203076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.203076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.203076 (E_RNA)
where:
Base-Base interactions energy: -792.944
where: short stacking energy: -352.075
Base-Backbone interact. energy: -0.904
local terms energy: -380.354932
where:
bonds (distance) C4'-P energy: -68.041
bonds (distance) P-C4' energy: -70.457
flat angles C4'-P-C4' energy: -76.900
flat angles P-C4'-P energy: -60.511
tors. eta vs tors. theta energy: -104.446
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: 8
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -1082.206836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.206836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.206836 (E_RNA)
where:
Base-Base interactions energy: -748.368
where: short stacking energy: -320.236
Base-Backbone interact. energy: -1.179
local terms energy: -332.660418
where:
bonds (distance) C4'-P energy: -62.221
bonds (distance) P-C4' energy: -51.339
flat angles C4'-P-C4' energy: -73.800
flat angles P-C4'-P energy: -46.536
tors. eta vs tors. theta energy: -98.764
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: 3
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -1061.340744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.340744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.340744 (E_RNA)
where:
Base-Base interactions energy: -727.183
where: short stacking energy: -323.357
Base-Backbone interact. energy: -0.201
local terms energy: -333.957582
where:
bonds (distance) C4'-P energy: -58.855
bonds (distance) P-C4' energy: -62.734
flat angles C4'-P-C4' energy: -74.462
flat angles P-C4'-P energy: -54.629
tors. eta vs tors. theta energy: -83.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -929.739286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.739286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.739286 (E_RNA)
where:
Base-Base interactions energy: -642.672
where: short stacking energy: -304.416
Base-Backbone interact. energy: 2.081
local terms energy: -289.148511
where:
bonds (distance) C4'-P energy: -59.940
bonds (distance) P-C4' energy: -46.371
flat angles C4'-P-C4' energy: -66.356
flat angles P-C4'-P energy: -44.861
tors. eta vs tors. theta energy: -71.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -905.002261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.002261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.002261 (E_RNA)
where:
Base-Base interactions energy: -603.524
where: short stacking energy: -263.972
Base-Backbone interact. energy: -1.140
local terms energy: -300.337951
where:
bonds (distance) C4'-P energy: -60.851
bonds (distance) P-C4' energy: -60.566
flat angles C4'-P-C4' energy: -56.094
flat angles P-C4'-P energy: -44.099
tors. eta vs tors. theta energy: -78.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -876.455331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.455331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.455331 (E_RNA)
where:
Base-Base interactions energy: -574.007
where: short stacking energy: -255.578
Base-Backbone interact. energy: -1.071
local terms energy: -301.377196
where:
bonds (distance) C4'-P energy: -55.376
bonds (distance) P-C4' energy: -60.600
flat angles C4'-P-C4' energy: -68.518
flat angles P-C4'-P energy: -49.625
tors. eta vs tors. theta energy: -67.258
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: 4
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -660.654165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.654165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.654165 (E_RNA)
where:
Base-Base interactions energy: -406.640
where: short stacking energy: -198.671
Base-Backbone interact. energy: -2.270
local terms energy: -251.744008
where:
bonds (distance) C4'-P energy: -48.318
bonds (distance) P-C4' energy: -64.055
flat angles C4'-P-C4' energy: -60.670
flat angles P-C4'-P energy: -41.237
tors. eta vs tors. theta energy: -37.463
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: 6
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -503.770408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.770408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.770408 (E_RNA)
where:
Base-Base interactions energy: -285.778
where: short stacking energy: -159.984
Base-Backbone interact. energy: 0.801
local terms energy: -218.793536
where:
bonds (distance) C4'-P energy: -53.891
bonds (distance) P-C4' energy: -52.599
flat angles C4'-P-C4' energy: -47.608
flat angles P-C4'-P energy: -37.131
tors. eta vs tors. theta energy: -27.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -451.538317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.538317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.538317 (E_RNA)
where:
Base-Base interactions energy: -223.280
where: short stacking energy: -133.686
Base-Backbone interact. energy: -1.859
local terms energy: -226.399398
where:
bonds (distance) C4'-P energy: -68.030
bonds (distance) P-C4' energy: -59.335
flat angles C4'-P-C4' energy: -58.213
flat angles P-C4'-P energy: -24.578
tors. eta vs tors. theta energy: -16.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -285.845076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.845076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.845076 (E_RNA)
where:
Base-Base interactions energy: -90.798
where: short stacking energy: -83.863
Base-Backbone interact. energy: -0.949
local terms energy: -194.097996
where:
bonds (distance) C4'-P energy: -56.660
bonds (distance) P-C4' energy: -56.670
flat angles C4'-P-C4' energy: -35.688
flat angles P-C4'-P energy: -37.227
tors. eta vs tors. theta energy: -7.854
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: 1
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -1174.466457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.466457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.466457 (E_RNA)
where:
Base-Base interactions energy: -803.576
where: short stacking energy: -330.464
Base-Backbone interact. energy: -0.837
local terms energy: -370.052882
where:
bonds (distance) C4'-P energy: -68.717
bonds (distance) P-C4' energy: -75.329
flat angles C4'-P-C4' energy: -78.188
flat angles P-C4'-P energy: -52.930
tors. eta vs tors. theta energy: -94.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -1114.621685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.621685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.621685 (E_RNA)
where:
Base-Base interactions energy: -757.046
where: short stacking energy: -327.127
Base-Backbone interact. energy: -1.858
local terms energy: -355.717139
where:
bonds (distance) C4'-P energy: -63.848
bonds (distance) P-C4' energy: -65.386
flat angles C4'-P-C4' energy: -68.722
flat angles P-C4'-P energy: -60.799
tors. eta vs tors. theta energy: -96.962
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: 3
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -1030.922062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.922062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.922062 (E_RNA)
where:
Base-Base interactions energy: -694.516
where: short stacking energy: -313.019
Base-Backbone interact. energy: 0.168
local terms energy: -336.573520
where:
bonds (distance) C4'-P energy: -66.104
bonds (distance) P-C4' energy: -72.590
flat angles C4'-P-C4' energy: -57.430
flat angles P-C4'-P energy: -57.368
tors. eta vs tors. theta energy: -83.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -924.836708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.836708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.836708 (E_RNA)
where:
Base-Base interactions energy: -613.543
where: short stacking energy: -282.553
Base-Backbone interact. energy: -1.072
local terms energy: -310.221859
where:
bonds (distance) C4'-P energy: -57.634
bonds (distance) P-C4' energy: -61.629
flat angles C4'-P-C4' energy: -69.715
flat angles P-C4'-P energy: -45.025
tors. eta vs tors. theta energy: -76.219
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: 9
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -854.111838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.111838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.111838 (E_RNA)
where:
Base-Base interactions energy: -565.397
where: short stacking energy: -255.702
Base-Backbone interact. energy: -0.957
local terms energy: -287.758760
where:
bonds (distance) C4'-P energy: -62.537
bonds (distance) P-C4' energy: -52.632
flat angles C4'-P-C4' energy: -58.880
flat angles P-C4'-P energy: -44.008
tors. eta vs tors. theta energy: -69.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -890.203260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.203260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.203260 (E_RNA)
where:
Base-Base interactions energy: -606.025
where: short stacking energy: -244.476
Base-Backbone interact. energy: -0.281
local terms energy: -283.897318
where:
bonds (distance) C4'-P energy: -52.016
bonds (distance) P-C4' energy: -61.803
flat angles C4'-P-C4' energy: -58.047
flat angles P-C4'-P energy: -47.629
tors. eta vs tors. theta energy: -64.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -604.028677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.028677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.028677 (E_RNA)
where:
Base-Base interactions energy: -394.192
where: short stacking energy: -190.457
Base-Backbone interact. energy: -1.777
local terms energy: -208.059388
where:
bonds (distance) C4'-P energy: -51.520
bonds (distance) P-C4' energy: -33.715
flat angles C4'-P-C4' energy: -59.871
flat angles P-C4'-P energy: -32.479
tors. eta vs tors. theta energy: -30.475
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: 6
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -527.024213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.024213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.024213 (E_RNA)
where:
Base-Base interactions energy: -292.325
where: short stacking energy: -137.227
Base-Backbone interact. energy: -1.674
local terms energy: -233.025211
where:
bonds (distance) C4'-P energy: -62.892
bonds (distance) P-C4' energy: -52.756
flat angles C4'-P-C4' energy: -59.085
flat angles P-C4'-P energy: -39.440
tors. eta vs tors. theta energy: -18.852
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: 124
Temperature: 1.300000
Total energy: -473.360610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.360610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.360610 (E_RNA)
where:
Base-Base interactions energy: -255.890
where: short stacking energy: -144.752
Base-Backbone interact. energy: -1.238
local terms energy: -216.232911
where:
bonds (distance) C4'-P energy: -59.633
bonds (distance) P-C4' energy: -50.187
flat angles C4'-P-C4' energy: -46.168
flat angles P-C4'-P energy: -38.379
tors. eta vs tors. theta energy: -21.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -290.967512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.967512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.967512 (E_RNA)
where:
Base-Base interactions energy: -116.298
where: short stacking energy: -98.078
Base-Backbone interact. energy: -0.282
local terms energy: -174.387748
where:
bonds (distance) C4'-P energy: -58.639
bonds (distance) P-C4' energy: -64.505
flat angles C4'-P-C4' energy: -40.306
flat angles P-C4'-P energy: -20.455
tors. eta vs tors. theta energy: 9.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -1163.943529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.943529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.943529 (E_RNA)
where:
Base-Base interactions energy: -800.158
where: short stacking energy: -356.010
Base-Backbone interact. energy: -1.369
local terms energy: -362.416887
where:
bonds (distance) C4'-P energy: -64.450
bonds (distance) P-C4' energy: -68.418
flat angles C4'-P-C4' energy: -77.132
flat angles P-C4'-P energy: -51.703
tors. eta vs tors. theta energy: -100.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -1112.862429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.862429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.862429 (E_RNA)
where:
Base-Base interactions energy: -771.066
where: short stacking energy: -331.116
Base-Backbone interact. energy: -1.658
local terms energy: -340.138553
where:
bonds (distance) C4'-P energy: -61.241
bonds (distance) P-C4' energy: -63.943
flat angles C4'-P-C4' energy: -72.198
flat angles P-C4'-P energy: -55.284
tors. eta vs tors. theta energy: -87.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -1020.239634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.239634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.239634 (E_RNA)
where:
Base-Base interactions energy: -667.293
where: short stacking energy: -311.206
Base-Backbone interact. energy: -0.360
local terms energy: -352.586358
where:
bonds (distance) C4'-P energy: -61.107
bonds (distance) P-C4' energy: -73.756
flat angles C4'-P-C4' energy: -68.836
flat angles P-C4'-P energy: -54.632
tors. eta vs tors. theta energy: -94.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -927.760837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.760837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.760837 (E_RNA)
where:
Base-Base interactions energy: -604.667
where: short stacking energy: -276.683
Base-Backbone interact. energy: -3.190
local terms energy: -319.903705
where:
bonds (distance) C4'-P energy: -61.551
bonds (distance) P-C4' energy: -64.533
flat angles C4'-P-C4' energy: -72.901
flat angles P-C4'-P energy: -52.465
tors. eta vs tors. theta energy: -68.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -846.688689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.688689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.688689 (E_RNA)
where:
Base-Base interactions energy: -562.552
where: short stacking energy: -271.289
Base-Backbone interact. energy: 0.428
local terms energy: -284.564673
where:
bonds (distance) C4'-P energy: -52.615
bonds (distance) P-C4' energy: -62.210
flat angles C4'-P-C4' energy: -57.718
flat angles P-C4'-P energy: -43.433
tors. eta vs tors. theta energy: -68.590
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: 10
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -874.585900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.585900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.585900 (E_RNA)
where:
Base-Base interactions energy: -594.221
where: short stacking energy: -255.895
Base-Backbone interact. energy: -0.327
local terms energy: -280.038379
where:
bonds (distance) C4'-P energy: -59.742
bonds (distance) P-C4' energy: -59.985
flat angles C4'-P-C4' energy: -64.263
flat angles P-C4'-P energy: -41.884
tors. eta vs tors. theta energy: -54.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -609.968816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.968816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.968816 (E_RNA)
where:
Base-Base interactions energy: -374.497
where: short stacking energy: -181.669
Base-Backbone interact. energy: -0.765
local terms energy: -234.706536
where:
bonds (distance) C4'-P energy: -54.533
bonds (distance) P-C4' energy: -49.850
flat angles C4'-P-C4' energy: -58.976
flat angles P-C4'-P energy: -31.656
tors. eta vs tors. theta energy: -39.692
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: 6
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -557.677043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.677043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.677043 (E_RNA)
where:
Base-Base interactions energy: -342.404
where: short stacking energy: -165.617
Base-Backbone interact. energy: -0.374
local terms energy: -214.899536
where:
bonds (distance) C4'-P energy: -65.841
bonds (distance) P-C4' energy: -50.731
flat angles C4'-P-C4' energy: -43.135
flat angles P-C4'-P energy: -35.069
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: 5
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -463.754382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.754382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.754382 (E_RNA)
where:
Base-Base interactions energy: -264.280
where: short stacking energy: -151.420
Base-Backbone interact. energy: -1.502
local terms energy: -197.971835
where:
bonds (distance) C4'-P energy: -40.076
bonds (distance) P-C4' energy: -55.665
flat angles C4'-P-C4' energy: -49.736
flat angles P-C4'-P energy: -38.207
tors. eta vs tors. theta energy: -14.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -294.872127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.872127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.872127 (E_RNA)
where:
Base-Base interactions energy: -122.553
where: short stacking energy: -121.214
Base-Backbone interact. energy: -1.916
local terms energy: -170.403291
where:
bonds (distance) C4'-P energy: -39.785
bonds (distance) P-C4' energy: -56.262
flat angles C4'-P-C4' energy: -30.088
flat angles P-C4'-P energy: -37.700
tors. eta vs tors. theta energy: -6.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -1126.528029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.528029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.528029 (E_RNA)
where:
Base-Base interactions energy: -772.392
where: short stacking energy: -344.019
Base-Backbone interact. energy: -3.445
local terms energy: -350.690176
where:
bonds (distance) C4'-P energy: -65.804
bonds (distance) P-C4' energy: -72.320
flat angles C4'-P-C4' energy: -72.837
flat angles P-C4'-P energy: -39.733
tors. eta vs tors. theta energy: -99.996
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: 1
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -1137.247938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.247938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.247938 (E_RNA)
where:
Base-Base interactions energy: -786.739
where: short stacking energy: -341.989
Base-Backbone interact. energy: -0.257
local terms energy: -350.251398
where:
bonds (distance) C4'-P energy: -59.818
bonds (distance) P-C4' energy: -61.837
flat angles C4'-P-C4' energy: -75.918
flat angles P-C4'-P energy: -51.129
tors. eta vs tors. theta energy: -101.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -982.120343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.120343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.120343 (E_RNA)
where:
Base-Base interactions energy: -651.777
where: short stacking energy: -298.518
Base-Backbone interact. energy: -0.231
local terms energy: -330.112359
where:
bonds (distance) C4'-P energy: -61.365
bonds (distance) P-C4' energy: -69.788
flat angles C4'-P-C4' energy: -66.025
flat angles P-C4'-P energy: -49.778
tors. eta vs tors. theta energy: -83.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -994.163236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.163236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.163236 (E_RNA)
where:
Base-Base interactions energy: -668.254
where: short stacking energy: -290.076
Base-Backbone interact. energy: -1.068
local terms energy: -324.840877
where:
bonds (distance) C4'-P energy: -57.726
bonds (distance) P-C4' energy: -67.236
flat angles C4'-P-C4' energy: -71.743
flat angles P-C4'-P energy: -43.940
tors. eta vs tors. theta energy: -84.196
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: 10
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -894.826472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.826472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.826472 (E_RNA)
where:
Base-Base interactions energy: -575.855
where: short stacking energy: -246.337
Base-Backbone interact. energy: -1.447
local terms energy: -317.524378
where:
bonds (distance) C4'-P energy: -61.719
bonds (distance) P-C4' energy: -66.568
flat angles C4'-P-C4' energy: -79.146
flat angles P-C4'-P energy: -44.769
tors. eta vs tors. theta energy: -65.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -874.891853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.891853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.891853 (E_RNA)
where:
Base-Base interactions energy: -573.038
where: short stacking energy: -269.827
Base-Backbone interact. energy: -1.311
local terms energy: -300.543219
where:
bonds (distance) C4'-P energy: -67.582
bonds (distance) P-C4' energy: -62.727
flat angles C4'-P-C4' energy: -64.074
flat angles P-C4'-P energy: -42.975
tors. eta vs tors. theta energy: -63.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -630.866467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.866467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.866467 (E_RNA)
where:
Base-Base interactions energy: -403.360
where: short stacking energy: -187.085
Base-Backbone interact. energy: -0.610
local terms energy: -226.896603
where:
bonds (distance) C4'-P energy: -49.450
bonds (distance) P-C4' energy: -53.382
flat angles C4'-P-C4' energy: -52.014
flat angles P-C4'-P energy: -39.605
tors. eta vs tors. theta energy: -32.446
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: 6
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -548.025990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.025990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.025990 (E_RNA)
where:
Base-Base interactions energy: -323.699
where: short stacking energy: -156.143
Base-Backbone interact. energy: -1.720
local terms energy: -222.607139
where:
bonds (distance) C4'-P energy: -49.215
bonds (distance) P-C4' energy: -54.259
flat angles C4'-P-C4' energy: -65.467
flat angles P-C4'-P energy: -34.666
tors. eta vs tors. theta energy: -19.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -452.124771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.124771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.124771 (E_RNA)
where:
Base-Base interactions energy: -267.950
where: short stacking energy: -137.100
Base-Backbone interact. energy: 0.188
local terms energy: -184.362286
where:
bonds (distance) C4'-P energy: -56.431
bonds (distance) P-C4' energy: -53.740
flat angles C4'-P-C4' energy: -47.558
flat angles P-C4'-P energy: -22.139
tors. eta vs tors. theta energy: -4.495
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: 7
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -288.498333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.498333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.498333 (E_RNA)
where:
Base-Base interactions energy: -114.856
where: short stacking energy: -81.910
Base-Backbone interact. energy: 0.743
local terms energy: -174.385462
where:
bonds (distance) C4'-P energy: -47.212
bonds (distance) P-C4' energy: -47.098
flat angles C4'-P-C4' energy: -51.365
flat angles P-C4'-P energy: -33.747
tors. eta vs tors. theta energy: 5.037
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: 8
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -1136.640949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.640949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.640949 (E_RNA)
where:
Base-Base interactions energy: -788.939
where: short stacking energy: -345.487
Base-Backbone interact. energy: -2.110
local terms energy: -345.592571
where:
bonds (distance) C4'-P energy: -64.481
bonds (distance) P-C4' energy: -69.085
flat angles C4'-P-C4' energy: -76.169
flat angles P-C4'-P energy: -41.753
tors. eta vs tors. theta energy: -94.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -1139.556873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.556873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.556873 (E_RNA)
where:
Base-Base interactions energy: -780.540
where: short stacking energy: -349.916
Base-Backbone interact. energy: -0.811
local terms energy: -358.205878
where:
bonds (distance) C4'-P energy: -66.751
bonds (distance) P-C4' energy: -60.236
flat angles C4'-P-C4' energy: -81.614
flat angles P-C4'-P energy: -50.987
tors. eta vs tors. theta energy: -98.618
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: 127
Temperature: 1.000000
Total energy: -962.195480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.195480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.195480 (E_RNA)
where:
Base-Base interactions energy: -630.896
where: short stacking energy: -308.308
Base-Backbone interact. energy: -1.686
local terms energy: -329.613206
where:
bonds (distance) C4'-P energy: -61.666
bonds (distance) P-C4' energy: -72.140
flat angles C4'-P-C4' energy: -66.537
flat angles P-C4'-P energy: -45.672
tors. eta vs tors. theta energy: -83.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -1003.759222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.759222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.759222 (E_RNA)
where:
Base-Base interactions energy: -680.085
where: short stacking energy: -303.074
Base-Backbone interact. energy: -1.339
local terms energy: -322.335535
where:
bonds (distance) C4'-P energy: -57.841
bonds (distance) P-C4' energy: -66.598
flat angles C4'-P-C4' energy: -71.346
flat angles P-C4'-P energy: -40.795
tors. eta vs tors. theta energy: -85.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -889.124722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.124722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.124722 (E_RNA)
where:
Base-Base interactions energy: -615.596
where: short stacking energy: -274.383
Base-Backbone interact. energy: 2.712
local terms energy: -276.241249
where:
bonds (distance) C4'-P energy: -51.883
bonds (distance) P-C4' energy: -58.908
flat angles C4'-P-C4' energy: -60.579
flat angles P-C4'-P energy: -41.360
tors. eta vs tors. theta energy: -63.511
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: 9
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -864.822023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.822023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.822023 (E_RNA)
where:
Base-Base interactions energy: -585.301
where: short stacking energy: -274.019
Base-Backbone interact. energy: 1.045
local terms energy: -280.566336
where:
bonds (distance) C4'-P energy: -49.477
bonds (distance) P-C4' energy: -61.080
flat angles C4'-P-C4' energy: -64.471
flat angles P-C4'-P energy: -31.727
tors. eta vs tors. theta energy: -73.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -683.547703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.547703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.547703 (E_RNA)
where:
Base-Base interactions energy: -442.344
where: short stacking energy: -192.958
Base-Backbone interact. energy: -1.064
local terms energy: -240.139790
where:
bonds (distance) C4'-P energy: -55.388
bonds (distance) P-C4' energy: -62.573
flat angles C4'-P-C4' energy: -60.103
flat angles P-C4'-P energy: -27.260
tors. eta vs tors. theta energy: -34.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -522.712949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.712949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.712949 (E_RNA)
where:
Base-Base interactions energy: -299.152
where: short stacking energy: -142.606
Base-Backbone interact. energy: 3.198
local terms energy: -226.759732
where:
bonds (distance) C4'-P energy: -47.118
bonds (distance) P-C4' energy: -65.371
flat angles C4'-P-C4' energy: -48.156
flat angles P-C4'-P energy: -45.187
tors. eta vs tors. theta energy: -20.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -444.502384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.502384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.502384 (E_RNA)
where:
Base-Base interactions energy: -226.231
where: short stacking energy: -126.926
Base-Backbone interact. energy: 0.288
local terms energy: -218.559432
where:
bonds (distance) C4'-P energy: -56.692
bonds (distance) P-C4' energy: -64.535
flat angles C4'-P-C4' energy: -52.151
flat angles P-C4'-P energy: -32.867
tors. eta vs tors. theta energy: -12.315
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: 10, replica: 7
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -276.263834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.263834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.263834 (E_RNA)
where:
Base-Base interactions energy: -87.965
where: short stacking energy: -77.320
Base-Backbone interact. energy: 0.869
local terms energy: -189.168334
where:
bonds (distance) C4'-P energy: -48.247
bonds (distance) P-C4' energy: -57.729
flat angles C4'-P-C4' energy: -50.869
flat angles P-C4'-P energy: -32.115
tors. eta vs tors. theta energy: -0.208
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: 8
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -1148.728571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.728571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.728571 (E_RNA)
where:
Base-Base interactions energy: -807.576
where: short stacking energy: -352.287
Base-Backbone interact. energy: -0.349
local terms energy: -340.803385
where:
bonds (distance) C4'-P energy: -55.455
bonds (distance) P-C4' energy: -65.775
flat angles C4'-P-C4' energy: -69.509
flat angles P-C4'-P energy: -54.657
tors. eta vs tors. theta energy: -95.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -1134.061509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.061509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.061509 (E_RNA)
where:
Base-Base interactions energy: -792.387
where: short stacking energy: -355.536
Base-Backbone interact. energy: -0.596
local terms energy: -341.078636
where:
bonds (distance) C4'-P energy: -59.124
bonds (distance) P-C4' energy: -57.832
flat angles C4'-P-C4' energy: -74.939
flat angles P-C4'-P energy: -44.398
tors. eta vs tors. theta energy: -104.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -1015.940315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.940315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.940315 (E_RNA)
where:
Base-Base interactions energy: -700.120
where: short stacking energy: -301.195
Base-Backbone interact. energy: -0.511
local terms energy: -315.308979
where:
bonds (distance) C4'-P energy: -68.319
bonds (distance) P-C4' energy: -60.861
flat angles C4'-P-C4' energy: -67.606
flat angles P-C4'-P energy: -46.758
tors. eta vs tors. theta energy: -71.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -922.551517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.551517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.551517 (E_RNA)
where:
Base-Base interactions energy: -609.228
where: short stacking energy: -268.141
Base-Backbone interact. energy: -0.794
local terms energy: -312.529447
where:
bonds (distance) C4'-P energy: -54.270
bonds (distance) P-C4' energy: -71.902
flat angles C4'-P-C4' energy: -69.225
flat angles P-C4'-P energy: -50.679
tors. eta vs tors. theta energy: -66.454
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: 10
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -893.436714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.436714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.436714 (E_RNA)
where:
Base-Base interactions energy: -587.105
where: short stacking energy: -253.138
Base-Backbone interact. energy: -0.931
local terms energy: -305.400818
where:
bonds (distance) C4'-P energy: -57.997
bonds (distance) P-C4' energy: -73.751
flat angles C4'-P-C4' energy: -58.031
flat angles P-C4'-P energy: -53.637
tors. eta vs tors. theta energy: -61.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -844.355619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.355619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.355619 (E_RNA)
where:
Base-Base interactions energy: -573.483
where: short stacking energy: -255.031
Base-Backbone interact. energy: -0.754
local terms energy: -270.118759
where:
bonds (distance) C4'-P energy: -43.109
bonds (distance) P-C4' energy: -67.283
flat angles C4'-P-C4' energy: -59.683
flat angles P-C4'-P energy: -33.173
tors. eta vs tors. theta energy: -66.871
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: 4
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -726.251891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.251891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.251891 (E_RNA)
where:
Base-Base interactions energy: -455.741
where: short stacking energy: -205.959
Base-Backbone interact. energy: -0.869
local terms energy: -269.641043
where:
bonds (distance) C4'-P energy: -57.425
bonds (distance) P-C4' energy: -62.410
flat angles C4'-P-C4' energy: -54.712
flat angles P-C4'-P energy: -46.613
tors. eta vs tors. theta energy: -48.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -478.529615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.529615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.529615 (E_RNA)
where:
Base-Base interactions energy: -258.960
where: short stacking energy: -140.853
Base-Backbone interact. energy: -1.631
local terms energy: -217.938752
where:
bonds (distance) C4'-P energy: -62.415
bonds (distance) P-C4' energy: -61.432
flat angles C4'-P-C4' energy: -45.703
flat angles P-C4'-P energy: -31.164
tors. eta vs tors. theta energy: -17.225
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: 5
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -462.008545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.008545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.008545 (E_RNA)
where:
Base-Base interactions energy: -244.598
where: short stacking energy: -129.494
Base-Backbone interact. energy: 0.188
local terms energy: -217.598610
where:
bonds (distance) C4'-P energy: -48.438
bonds (distance) P-C4' energy: -59.637
flat angles C4'-P-C4' energy: -54.002
flat angles P-C4'-P energy: -33.680
tors. eta vs tors. theta energy: -21.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -305.033590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.033590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.033590 (E_RNA)
where:
Base-Base interactions energy: -146.971
where: short stacking energy: -67.326
Base-Backbone interact. energy: 6.310
local terms energy: -164.372816
where:
bonds (distance) C4'-P energy: -62.031
bonds (distance) P-C4' energy: -60.459
flat angles C4'-P-C4' energy: -41.905
flat angles P-C4'-P energy: -16.609
tors. eta vs tors. theta energy: 16.631
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: 8
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -1132.907071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.907071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.907071 (E_RNA)
where:
Base-Base interactions energy: -783.108
where: short stacking energy: -337.815
Base-Backbone interact. energy: 0.691
local terms energy: -350.490006
where:
bonds (distance) C4'-P energy: -68.469
bonds (distance) P-C4' energy: -63.522
flat angles C4'-P-C4' energy: -79.020
flat angles P-C4'-P energy: -44.800
tors. eta vs tors. theta energy: -94.679
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: 1
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -1124.011664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.011664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.011664 (E_RNA)
where:
Base-Base interactions energy: -768.780
where: short stacking energy: -348.328
Base-Backbone interact. energy: 0.582
local terms energy: -355.813021
where:
bonds (distance) C4'-P energy: -73.021
bonds (distance) P-C4' energy: -54.978
flat angles C4'-P-C4' energy: -74.548
flat angles P-C4'-P energy: -47.650
tors. eta vs tors. theta energy: -105.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -1004.389785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.389785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.389785 (E_RNA)
where:
Base-Base interactions energy: -664.330
where: short stacking energy: -295.558
Base-Backbone interact. energy: 0.594
local terms energy: -340.653348
where:
bonds (distance) C4'-P energy: -67.285
bonds (distance) P-C4' energy: -71.643
flat angles C4'-P-C4' energy: -80.166
flat angles P-C4'-P energy: -46.163
tors. eta vs tors. theta energy: -75.396
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: 2
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -943.047985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.047985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.047985 (E_RNA)
where:
Base-Base interactions energy: -618.638
where: short stacking energy: -293.372
Base-Backbone interact. energy: -1.822
local terms energy: -322.588290
where:
bonds (distance) C4'-P energy: -69.005
bonds (distance) P-C4' energy: -61.287
flat angles C4'-P-C4' energy: -69.965
flat angles P-C4'-P energy: -43.053
tors. eta vs tors. theta energy: -79.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -911.810865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.810865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.810865 (E_RNA)
where:
Base-Base interactions energy: -618.683
where: short stacking energy: -268.931
Base-Backbone interact. energy: 0.816
local terms energy: -293.943623
where:
bonds (distance) C4'-P energy: -62.273
bonds (distance) P-C4' energy: -52.086
flat angles C4'-P-C4' energy: -67.117
flat angles P-C4'-P energy: -38.153
tors. eta vs tors. theta energy: -74.313
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: 9
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -829.372860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.372860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.372860 (E_RNA)
where:
Base-Base interactions energy: -539.019
where: short stacking energy: -234.935
Base-Backbone interact. energy: -0.132
local terms energy: -290.222628
where:
bonds (distance) C4'-P energy: -50.430
bonds (distance) P-C4' energy: -60.960
flat angles C4'-P-C4' energy: -67.732
flat angles P-C4'-P energy: -45.742
tors. eta vs tors. theta energy: -65.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -723.588036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.588036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.588036 (E_RNA)
where:
Base-Base interactions energy: -465.505
where: short stacking energy: -197.039
Base-Backbone interact. energy: -1.145
local terms energy: -256.937472
where:
bonds (distance) C4'-P energy: -60.538
bonds (distance) P-C4' energy: -58.063
flat angles C4'-P-C4' energy: -57.177
flat angles P-C4'-P energy: -37.513
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: 8, replica: 6
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -484.804388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.804388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.804388 (E_RNA)
where:
Base-Base interactions energy: -276.294
where: short stacking energy: -152.888
Base-Backbone interact. energy: 2.627
local terms energy: -211.137403
where:
bonds (distance) C4'-P energy: -52.374
bonds (distance) P-C4' energy: -64.266
flat angles C4'-P-C4' energy: -52.882
flat angles P-C4'-P energy: -25.990
tors. eta vs tors. theta energy: -15.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -448.371935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.371935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.371935 (E_RNA)
where:
Base-Base interactions energy: -239.837
where: short stacking energy: -127.457
Base-Backbone interact. energy: 0.442
local terms energy: -208.976642
where:
bonds (distance) C4'-P energy: -49.323
bonds (distance) P-C4' energy: -58.580
flat angles C4'-P-C4' energy: -59.710
flat angles P-C4'-P energy: -30.906
tors. eta vs tors. theta energy: -10.457
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: 10, replica: 7
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -310.517029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.517029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.517029 (E_RNA)
where:
Base-Base interactions energy: -143.829
where: short stacking energy: -89.576
Base-Backbone interact. energy: -0.520
local terms energy: -166.168015
where:
bonds (distance) C4'-P energy: -46.568
bonds (distance) P-C4' energy: -60.491
flat angles C4'-P-C4' energy: -30.650
flat angles P-C4'-P energy: -35.504
tors. eta vs tors. theta energy: 7.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -1166.354869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.354869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.354869 (E_RNA)
where:
Base-Base interactions energy: -798.957
where: short stacking energy: -359.236
Base-Backbone interact. energy: -1.856
local terms energy: -365.541976
where:
bonds (distance) C4'-P energy: -64.225
bonds (distance) P-C4' energy: -65.032
flat angles C4'-P-C4' energy: -79.182
flat angles P-C4'-P energy: -54.222
tors. eta vs tors. theta energy: -102.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -1138.563799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.563799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.563799 (E_RNA)
where:
Base-Base interactions energy: -795.168
where: short stacking energy: -344.813
Base-Backbone interact. energy: 1.897
local terms energy: -345.292552
where:
bonds (distance) C4'-P energy: -68.553
bonds (distance) P-C4' energy: -61.182
flat angles C4'-P-C4' energy: -72.992
flat angles P-C4'-P energy: -48.302
tors. eta vs tors. theta energy: -94.263
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: 3, replica: 2
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -992.204771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.204771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.204771 (E_RNA)
where:
Base-Base interactions energy: -648.177
where: short stacking energy: -302.099
Base-Backbone interact. energy: -2.133
local terms energy: -341.895023
where:
bonds (distance) C4'-P energy: -65.165
bonds (distance) P-C4' energy: -76.751
flat angles C4'-P-C4' energy: -67.526
flat angles P-C4'-P energy: -47.707
tors. eta vs tors. theta energy: -84.746
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: 3
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -987.400846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.400846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.400846 (E_RNA)
where:
Base-Base interactions energy: -661.462
where: short stacking energy: -295.003
Base-Backbone interact. energy: -0.799
local terms energy: -325.139502
where:
bonds (distance) C4'-P energy: -56.023
bonds (distance) P-C4' energy: -67.308
flat angles C4'-P-C4' energy: -76.492
flat angles P-C4'-P energy: -45.450
tors. eta vs tors. theta energy: -79.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -933.990809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.990809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.990809 (E_RNA)
where:
Base-Base interactions energy: -619.613
where: short stacking energy: -281.406
Base-Backbone interact. energy: -0.733
local terms energy: -313.645479
where:
bonds (distance) C4'-P energy: -69.284
bonds (distance) P-C4' energy: -61.639
flat angles C4'-P-C4' energy: -60.154
flat angles P-C4'-P energy: -44.173
tors. eta vs tors. theta energy: -78.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -867.297431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.297431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.297431 (E_RNA)
where:
Base-Base interactions energy: -577.696
where: short stacking energy: -255.748
Base-Backbone interact. energy: -1.302
local terms energy: -288.299869
where:
bonds (distance) C4'-P energy: -56.250
bonds (distance) P-C4' energy: -58.350
flat angles C4'-P-C4' energy: -62.713
flat angles P-C4'-P energy: -39.656
tors. eta vs tors. theta energy: -71.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -767.906066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.906066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.906066 (E_RNA)
where:
Base-Base interactions energy: -471.960
where: short stacking energy: -238.274
Base-Backbone interact. energy: 0.193
local terms energy: -296.138824
where:
bonds (distance) C4'-P energy: -61.729
bonds (distance) P-C4' energy: -63.132
flat angles C4'-P-C4' energy: -70.509
flat angles P-C4'-P energy: -41.924
tors. eta vs tors. theta energy: -58.846
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: 8, replica: 6
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -421.694012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.694012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.694012 (E_RNA)
where:
Base-Base interactions energy: -212.843
where: short stacking energy: -111.251
Base-Backbone interact. energy: -1.535
local terms energy: -207.316129
where:
bonds (distance) C4'-P energy: -66.699
bonds (distance) P-C4' energy: -53.358
flat angles C4'-P-C4' energy: -48.596
flat angles P-C4'-P energy: -33.838
tors. eta vs tors. theta energy: -4.825
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: 5
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -436.161238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.161238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.161238 (E_RNA)
where:
Base-Base interactions energy: -218.751
where: short stacking energy: -118.741
Base-Backbone interact. energy: 1.717
local terms energy: -219.126988
where:
bonds (distance) C4'-P energy: -62.326
bonds (distance) P-C4' energy: -60.065
flat angles C4'-P-C4' energy: -46.089
flat angles P-C4'-P energy: -28.481
tors. eta vs tors. theta energy: -22.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -305.378546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.378546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.378546 (E_RNA)
where:
Base-Base interactions energy: -132.296
where: short stacking energy: -78.456
Base-Backbone interact. energy: -0.744
local terms energy: -172.338544
where:
bonds (distance) C4'-P energy: -55.667
bonds (distance) P-C4' energy: -54.247
flat angles C4'-P-C4' energy: -54.447
flat angles P-C4'-P energy: -21.322
tors. eta vs tors. theta energy: 13.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -1170.880383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.880383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.880383 (E_RNA)
where:
Base-Base interactions energy: -814.930
where: short stacking energy: -353.768
Base-Backbone interact. energy: -0.895
local terms energy: -355.055958
where:
bonds (distance) C4'-P energy: -52.068
bonds (distance) P-C4' energy: -70.963
flat angles C4'-P-C4' energy: -70.784
flat angles P-C4'-P energy: -58.827
tors. eta vs tors. theta energy: -102.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -1119.887007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.887007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.887007 (E_RNA)
where:
Base-Base interactions energy: -772.132
where: short stacking energy: -323.813
Base-Backbone interact. energy: -2.469
local terms energy: -345.286198
where:
bonds (distance) C4'-P energy: -65.634
bonds (distance) P-C4' energy: -68.038
flat angles C4'-P-C4' energy: -74.771
flat angles P-C4'-P energy: -50.130
tors. eta vs tors. theta energy: -86.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -979.720053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.720053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.720053 (E_RNA)
where:
Base-Base interactions energy: -645.204
where: short stacking energy: -300.631
Base-Backbone interact. energy: -0.978
local terms energy: -333.537590
where:
bonds (distance) C4'-P energy: -52.785
bonds (distance) P-C4' energy: -72.302
flat angles C4'-P-C4' energy: -70.310
flat angles P-C4'-P energy: -48.395
tors. eta vs tors. theta energy: -89.746
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: 3
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -1001.549137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.549137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.549137 (E_RNA)
where:
Base-Base interactions energy: -690.417
where: short stacking energy: -312.317
Base-Backbone interact. energy: -2.493
local terms energy: -308.639207
where:
bonds (distance) C4'-P energy: -58.704
bonds (distance) P-C4' energy: -66.295
flat angles C4'-P-C4' energy: -58.648
flat angles P-C4'-P energy: -43.567
tors. eta vs tors. theta energy: -81.425
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: 5, replica: 10
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -920.127378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.127378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.127378 (E_RNA)
where:
Base-Base interactions energy: -615.417
where: short stacking energy: -283.686
Base-Backbone interact. energy: 0.834
local terms energy: -305.544760
where:
bonds (distance) C4'-P energy: -70.593
bonds (distance) P-C4' energy: -57.332
flat angles C4'-P-C4' energy: -56.019
flat angles P-C4'-P energy: -39.335
tors. eta vs tors. theta energy: -82.266
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: 6, replica: 4
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -808.534057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.534057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.534057 (E_RNA)
where:
Base-Base interactions energy: -522.491
where: short stacking energy: -245.099
Base-Backbone interact. energy: 0.487
local terms energy: -286.529822
where:
bonds (distance) C4'-P energy: -53.520
bonds (distance) P-C4' energy: -57.502
flat angles C4'-P-C4' energy: -70.870
flat angles P-C4'-P energy: -44.856
tors. eta vs tors. theta energy: -59.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -797.464350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.464350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.464350 (E_RNA)
where:
Base-Base interactions energy: -526.337
where: short stacking energy: -237.952
Base-Backbone interact. energy: 4.208
local terms energy: -275.334707
where:
bonds (distance) C4'-P energy: -63.667
bonds (distance) P-C4' energy: -65.319
flat angles C4'-P-C4' energy: -51.898
flat angles P-C4'-P energy: -38.359
tors. eta vs tors. theta energy: -56.091
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: 5
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -461.054447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.054447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.054447 (E_RNA)
where:
Base-Base interactions energy: -240.651
where: short stacking energy: -143.414
Base-Backbone interact. energy: -1.713
local terms energy: -218.690472
where:
bonds (distance) C4'-P energy: -53.565
bonds (distance) P-C4' energy: -53.261
flat angles C4'-P-C4' energy: -58.188
flat angles P-C4'-P energy: -27.732
tors. eta vs tors. theta energy: -25.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -440.056243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.056243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.056243 (E_RNA)
where:
Base-Base interactions energy: -222.578
where: short stacking energy: -121.345
Base-Backbone interact. energy: -0.465
local terms energy: -217.013108
where:
bonds (distance) C4'-P energy: -52.810
bonds (distance) P-C4' energy: -57.307
flat angles C4'-P-C4' energy: -57.799
flat angles P-C4'-P energy: -27.889
tors. eta vs tors. theta energy: -21.207
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: 7
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -311.283279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.283279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.283279 (E_RNA)
where:
Base-Base interactions energy: -144.271
where: short stacking energy: -105.895
Base-Backbone interact. energy: -1.333
local terms energy: -165.678943
where:
bonds (distance) C4'-P energy: -38.599
bonds (distance) P-C4' energy: -57.075
flat angles C4'-P-C4' energy: -56.091
flat angles P-C4'-P energy: -23.173
tors. eta vs tors. theta energy: 9.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -1168.569007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.569007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.569007 (E_RNA)
where:
Base-Base interactions energy: -808.400
where: short stacking energy: -361.129
Base-Backbone interact. energy: -1.630
local terms energy: -358.539536
where:
bonds (distance) C4'-P energy: -61.286
bonds (distance) P-C4' energy: -62.003
flat angles C4'-P-C4' energy: -78.589
flat angles P-C4'-P energy: -53.501
tors. eta vs tors. theta energy: -103.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -1123.929157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.929157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.929157 (E_RNA)
where:
Base-Base interactions energy: -792.656
where: short stacking energy: -336.937
Base-Backbone interact. energy: -2.183
local terms energy: -329.089484
where:
bonds (distance) C4'-P energy: -48.560
bonds (distance) P-C4' energy: -75.251
flat angles C4'-P-C4' energy: -64.407
flat angles P-C4'-P energy: -47.853
tors. eta vs tors. theta energy: -93.020
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: 3, replica: 3
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -1008.119017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.119017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.119017 (E_RNA)
where:
Base-Base interactions energy: -681.463
where: short stacking energy: -301.407
Base-Backbone interact. energy: 1.271
local terms energy: -327.926637
where:
bonds (distance) C4'-P energy: -54.838
bonds (distance) P-C4' energy: -68.173
flat angles C4'-P-C4' energy: -71.661
flat angles P-C4'-P energy: -53.422
tors. eta vs tors. theta energy: -79.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -959.313337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.313337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.313337 (E_RNA)
where:
Base-Base interactions energy: -636.335
where: short stacking energy: -284.278
Base-Backbone interact. energy: -0.955
local terms energy: -322.024063
where:
bonds (distance) C4'-P energy: -59.421
bonds (distance) P-C4' energy: -66.717
flat angles C4'-P-C4' energy: -68.515
flat angles P-C4'-P energy: -48.538
tors. eta vs tors. theta energy: -78.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -931.920791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.920791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.920791 (E_RNA)
where:
Base-Base interactions energy: -634.470
where: short stacking energy: -280.486
Base-Backbone interact. energy: -1.105
local terms energy: -296.346305
where:
bonds (distance) C4'-P energy: -53.556
bonds (distance) P-C4' energy: -65.550
flat angles C4'-P-C4' energy: -65.139
flat angles P-C4'-P energy: -29.206
tors. eta vs tors. theta energy: -82.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -784.499338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.499338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.499338 (E_RNA)
where:
Base-Base interactions energy: -505.436
where: short stacking energy: -250.468
Base-Backbone interact. energy: -1.478
local terms energy: -277.585805
where:
bonds (distance) C4'-P energy: -56.451
bonds (distance) P-C4' energy: -51.186
flat angles C4'-P-C4' energy: -59.994
flat angles P-C4'-P energy: -45.041
tors. eta vs tors. theta energy: -64.914
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: 7, replica: 9
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -818.210955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.210955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.210955 (E_RNA)
where:
Base-Base interactions energy: -528.180
where: short stacking energy: -249.161
Base-Backbone interact. energy: 1.243
local terms energy: -291.273871
where:
bonds (distance) C4'-P energy: -48.843
bonds (distance) P-C4' energy: -58.362
flat angles C4'-P-C4' energy: -69.937
flat angles P-C4'-P energy: -46.229
tors. eta vs tors. theta energy: -67.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -486.268947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.268947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.268947 (E_RNA)
where:
Base-Base interactions energy: -267.044
where: short stacking energy: -160.268
Base-Backbone interact. energy: -1.170
local terms energy: -218.055383
where:
bonds (distance) C4'-P energy: -51.533
bonds (distance) P-C4' energy: -64.614
flat angles C4'-P-C4' energy: -61.439
flat angles P-C4'-P energy: -20.691
tors. eta vs tors. theta energy: -19.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -458.016226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.016226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.016226 (E_RNA)
where:
Base-Base interactions energy: -233.224
where: short stacking energy: -127.299
Base-Backbone interact. energy: -0.874
local terms energy: -223.918574
where:
bonds (distance) C4'-P energy: -47.639
bonds (distance) P-C4' energy: -68.946
flat angles C4'-P-C4' energy: -56.782
flat angles P-C4'-P energy: -45.131
tors. eta vs tors. theta energy: -5.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -328.461122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.461122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.461122 (E_RNA)
where:
Base-Base interactions energy: -147.132
where: short stacking energy: -84.394
Base-Backbone interact. energy: -0.867
local terms energy: -180.461913
where:
bonds (distance) C4'-P energy: -54.129
bonds (distance) P-C4' energy: -60.599
flat angles C4'-P-C4' energy: -44.826
flat angles P-C4'-P energy: -16.351
tors. eta vs tors. theta energy: -4.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -1184.297078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.297078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.297078 (E_RNA)
where:
Base-Base interactions energy: -803.458
where: short stacking energy: -352.697
Base-Backbone interact. energy: -0.593
local terms energy: -380.245607
where:
bonds (distance) C4'-P energy: -73.051
bonds (distance) P-C4' energy: -72.372
flat angles C4'-P-C4' energy: -70.541
flat angles P-C4'-P energy: -61.989
tors. eta vs tors. theta energy: -102.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -1123.583697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.583697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.583697 (E_RNA)
where:
Base-Base interactions energy: -766.632
where: short stacking energy: -333.540
Base-Backbone interact. energy: -2.951
local terms energy: -354.000717
where:
bonds (distance) C4'-P energy: -67.404
bonds (distance) P-C4' energy: -71.876
flat angles C4'-P-C4' energy: -67.329
flat angles P-C4'-P energy: -52.586
tors. eta vs tors. theta energy: -94.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -1017.928419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.928419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.928419 (E_RNA)
where:
Base-Base interactions energy: -679.933
where: short stacking energy: -286.183
Base-Backbone interact. energy: 5.451
local terms energy: -343.446623
where:
bonds (distance) C4'-P energy: -66.371
bonds (distance) P-C4' energy: -60.161
flat angles C4'-P-C4' energy: -77.206
flat angles P-C4'-P energy: -55.188
tors. eta vs tors. theta energy: -84.521
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: 4, replica: 10
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -940.557762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.557762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.557762 (E_RNA)
where:
Base-Base interactions energy: -639.429
where: short stacking energy: -286.557
Base-Backbone interact. energy: -0.465
local terms energy: -300.663113
where:
bonds (distance) C4'-P energy: -61.098
bonds (distance) P-C4' energy: -54.828
flat angles C4'-P-C4' energy: -63.356
flat angles P-C4'-P energy: -41.746
tors. eta vs tors. theta energy: -79.635
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: 5, replica: 2
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -941.291508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.291508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.291508 (E_RNA)
where:
Base-Base interactions energy: -617.022
where: short stacking energy: -289.582
Base-Backbone interact. energy: -0.224
local terms energy: -324.045373
where:
bonds (distance) C4'-P energy: -64.178
bonds (distance) P-C4' energy: -61.798
flat angles C4'-P-C4' energy: -66.028
flat angles P-C4'-P energy: -41.075
tors. eta vs tors. theta energy: -90.965
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: 6, replica: 9
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -816.111012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.111012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.111012 (E_RNA)
where:
Base-Base interactions energy: -529.136
where: short stacking energy: -251.030
Base-Backbone interact. energy: -1.433
local terms energy: -285.541617
where:
bonds (distance) C4'-P energy: -64.822
bonds (distance) P-C4' energy: -51.911
flat angles C4'-P-C4' energy: -75.730
flat angles P-C4'-P energy: -28.072
tors. eta vs tors. theta energy: -65.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -783.432482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.432482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.432482 (E_RNA)
where:
Base-Base interactions energy: -525.061
where: short stacking energy: -230.266
Base-Backbone interact. energy: -1.220
local terms energy: -257.151451
where:
bonds (distance) C4'-P energy: -45.740
bonds (distance) P-C4' energy: -63.111
flat angles C4'-P-C4' energy: -55.226
flat angles P-C4'-P energy: -31.846
tors. eta vs tors. theta energy: -61.228
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: 6
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -476.853268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.853268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.853268 (E_RNA)
where:
Base-Base interactions energy: -260.402
where: short stacking energy: -150.556
Base-Backbone interact. energy: 1.262
local terms energy: -217.712727
where:
bonds (distance) C4'-P energy: -48.198
bonds (distance) P-C4' energy: -58.944
flat angles C4'-P-C4' energy: -51.476
flat angles P-C4'-P energy: -39.833
tors. eta vs tors. theta energy: -19.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -465.501173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.501173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.501173 (E_RNA)
where:
Base-Base interactions energy: -257.917
where: short stacking energy: -141.531
Base-Backbone interact. energy: -1.665
local terms energy: -205.918450
where:
bonds (distance) C4'-P energy: -48.010
bonds (distance) P-C4' energy: -53.327
flat angles C4'-P-C4' energy: -55.908
flat angles P-C4'-P energy: -33.614
tors. eta vs tors. theta energy: -15.061
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: 7
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -394.566417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.566417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.566417 (E_RNA)
where:
Base-Base interactions energy: -208.307
where: short stacking energy: -115.298
Base-Backbone interact. energy: 2.224
local terms energy: -188.483969
where:
bonds (distance) C4'-P energy: -47.678
bonds (distance) P-C4' energy: -63.282
flat angles C4'-P-C4' energy: -47.873
flat angles P-C4'-P energy: -32.263
tors. eta vs tors. theta energy: 2.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -1171.334276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.334276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.334276 (E_RNA)
where:
Base-Base interactions energy: -809.057
where: short stacking energy: -358.594
Base-Backbone interact. energy: -2.795
local terms energy: -359.482695
where:
bonds (distance) C4'-P energy: -70.364
bonds (distance) P-C4' energy: -57.014
flat angles C4'-P-C4' energy: -75.108
flat angles P-C4'-P energy: -51.930
tors. eta vs tors. theta energy: -105.066
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: 8
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -1112.820852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.820852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.820852 (E_RNA)
where:
Base-Base interactions energy: -791.732
where: short stacking energy: -341.017
Base-Backbone interact. energy: -0.921
local terms energy: -320.168108
where:
bonds (distance) C4'-P energy: -67.254
bonds (distance) P-C4' energy: -48.907
flat angles C4'-P-C4' energy: -68.071
flat angles P-C4'-P energy: -43.728
tors. eta vs tors. theta energy: -92.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -1025.222221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.222221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.222221 (E_RNA)
where:
Base-Base interactions energy: -688.374
where: short stacking energy: -300.618
Base-Backbone interact. energy: -0.701
local terms energy: -336.147455
where:
bonds (distance) C4'-P energy: -63.112
bonds (distance) P-C4' energy: -60.870
flat angles C4'-P-C4' energy: -72.728
flat angles P-C4'-P energy: -55.811
tors. eta vs tors. theta energy: -83.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -930.850446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.850446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.850446 (E_RNA)
where:
Base-Base interactions energy: -625.474
where: short stacking energy: -285.124
Base-Backbone interact. energy: -0.887
local terms energy: -304.490121
where:
bonds (distance) C4'-P energy: -55.891
bonds (distance) P-C4' energy: -69.706
flat angles C4'-P-C4' energy: -69.251
flat angles P-C4'-P energy: -39.192
tors. eta vs tors. theta energy: -70.451
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: 134
Temperature: 1.100000
Total energy: -930.725697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.725697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.725697 (E_RNA)
where:
Base-Base interactions energy: -620.261
where: short stacking energy: -289.046
Base-Backbone interact. energy: 0.193
local terms energy: -310.658301
where:
bonds (distance) C4'-P energy: -59.870
bonds (distance) P-C4' energy: -61.723
flat angles C4'-P-C4' energy: -67.318
flat angles P-C4'-P energy: -44.927
tors. eta vs tors. theta energy: -76.820
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: 9
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -829.778746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.778746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.778746 (E_RNA)
where:
Base-Base interactions energy: -574.472
where: short stacking energy: -268.614
Base-Backbone interact. energy: 1.437
local terms energy: -256.743393
where:
bonds (distance) C4'-P energy: -38.911
bonds (distance) P-C4' energy: -57.838
flat angles C4'-P-C4' energy: -63.387
flat angles P-C4'-P energy: -41.529
tors. eta vs tors. theta energy: -55.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -768.675165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.675165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.675165 (E_RNA)
where:
Base-Base interactions energy: -473.996
where: short stacking energy: -229.868
Base-Backbone interact. energy: 2.139
local terms energy: -296.818560
where:
bonds (distance) C4'-P energy: -60.412
bonds (distance) P-C4' energy: -55.336
flat angles C4'-P-C4' energy: -67.080
flat angles P-C4'-P energy: -45.778
tors. eta vs tors. theta energy: -68.213
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: 6
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -482.812516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.812516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.812516 (E_RNA)
where:
Base-Base interactions energy: -260.032
where: short stacking energy: -139.056
Base-Backbone interact. energy: -0.785
local terms energy: -221.995797
where:
bonds (distance) C4'-P energy: -53.002
bonds (distance) P-C4' energy: -63.165
flat angles C4'-P-C4' energy: -56.596
flat angles P-C4'-P energy: -23.358
tors. eta vs tors. theta energy: -25.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -441.502991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.502991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.502991 (E_RNA)
where:
Base-Base interactions energy: -239.194
where: short stacking energy: -133.977
Base-Backbone interact. energy: 3.199
local terms energy: -205.507679
where:
bonds (distance) C4'-P energy: -57.014
bonds (distance) P-C4' energy: -49.660
flat angles C4'-P-C4' energy: -53.737
flat angles P-C4'-P energy: -23.162
tors. eta vs tors. theta energy: -21.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -360.374842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.374842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.374842 (E_RNA)
where:
Base-Base interactions energy: -205.015
where: short stacking energy: -98.306
Base-Backbone interact. energy: -1.689
local terms energy: -153.670813
where:
bonds (distance) C4'-P energy: -50.261
bonds (distance) P-C4' energy: -48.935
flat angles C4'-P-C4' energy: -54.133
flat angles P-C4'-P energy: -19.909
tors. eta vs tors. theta energy: 19.568
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: 1, replica: 1
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -1166.178380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.178380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.178380 (E_RNA)
where:
Base-Base interactions energy: -804.068
where: short stacking energy: -367.215
Base-Backbone interact. energy: 0.489
local terms energy: -362.599148
where:
bonds (distance) C4'-P energy: -65.978
bonds (distance) P-C4' energy: -64.966
flat angles C4'-P-C4' energy: -76.319
flat angles P-C4'-P energy: -51.669
tors. eta vs tors. theta energy: -103.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -1129.057748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.057748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.057748 (E_RNA)
where:
Base-Base interactions energy: -786.046
where: short stacking energy: -339.813
Base-Backbone interact. energy: -2.123
local terms energy: -340.888804
where:
bonds (distance) C4'-P energy: -66.417
bonds (distance) P-C4' energy: -64.529
flat angles C4'-P-C4' energy: -76.209
flat angles P-C4'-P energy: -44.861
tors. eta vs tors. theta energy: -88.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -1017.523574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.523574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.523574 (E_RNA)
where:
Base-Base interactions energy: -700.912
where: short stacking energy: -306.617
Base-Backbone interact. energy: 0.103
local terms energy: -316.714525
where:
bonds (distance) C4'-P energy: -54.909
bonds (distance) P-C4' energy: -51.311
flat angles C4'-P-C4' energy: -78.867
flat angles P-C4'-P energy: -40.596
tors. eta vs tors. theta energy: -91.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -921.754938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.754938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.754938 (E_RNA)
where:
Base-Base interactions energy: -604.504
where: short stacking energy: -277.789
Base-Backbone interact. energy: -0.629
local terms energy: -316.621968
where:
bonds (distance) C4'-P energy: -67.818
bonds (distance) P-C4' energy: -64.862
flat angles C4'-P-C4' energy: -67.918
flat angles P-C4'-P energy: -46.420
tors. eta vs tors. theta energy: -69.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -937.821151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.821151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.821151 (E_RNA)
where:
Base-Base interactions energy: -636.479
where: short stacking energy: -282.388
Base-Backbone interact. energy: -1.220
local terms energy: -300.122940
where:
bonds (distance) C4'-P energy: -58.175
bonds (distance) P-C4' energy: -56.602
flat angles C4'-P-C4' energy: -60.393
flat angles P-C4'-P energy: -42.699
tors. eta vs tors. theta energy: -82.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -789.648662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.648662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.648662 (E_RNA)
where:
Base-Base interactions energy: -506.951
where: short stacking energy: -228.144
Base-Backbone interact. energy: 0.103
local terms energy: -282.800050
where:
bonds (distance) C4'-P energy: -47.662
bonds (distance) P-C4' energy: -57.144
flat angles C4'-P-C4' energy: -61.290
flat angles P-C4'-P energy: -52.284
tors. eta vs tors. theta energy: -64.420
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: 9
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -818.812537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.812537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.812537 (E_RNA)
where:
Base-Base interactions energy: -534.945
where: short stacking energy: -241.960
Base-Backbone interact. energy: -0.473
local terms energy: -283.394163
where:
bonds (distance) C4'-P energy: -65.526
bonds (distance) P-C4' energy: -57.724
flat angles C4'-P-C4' energy: -52.650
flat angles P-C4'-P energy: -41.640
tors. eta vs tors. theta energy: -65.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -502.759900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.759900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.759900 (E_RNA)
where:
Base-Base interactions energy: -288.200
where: short stacking energy: -140.335
Base-Backbone interact. energy: 1.130
local terms energy: -215.689774
where:
bonds (distance) C4'-P energy: -55.463
bonds (distance) P-C4' energy: -55.488
flat angles C4'-P-C4' energy: -58.624
flat angles P-C4'-P energy: -28.822
tors. eta vs tors. theta energy: -17.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -473.993229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.993229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.993229 (E_RNA)
where:
Base-Base interactions energy: -259.487
where: short stacking energy: -164.292
Base-Backbone interact. energy: 1.377
local terms energy: -215.883000
where:
bonds (distance) C4'-P energy: -56.130
bonds (distance) P-C4' energy: -54.375
flat angles C4'-P-C4' energy: -51.666
flat angles P-C4'-P energy: -30.663
tors. eta vs tors. theta energy: -23.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -280.028633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.028633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.028633 (E_RNA)
where:
Base-Base interactions energy: -103.997
where: short stacking energy: -52.713
Base-Backbone interact. energy: -0.923
local terms energy: -175.108698
where:
bonds (distance) C4'-P energy: -42.741
bonds (distance) P-C4' energy: -69.596
flat angles C4'-P-C4' energy: -58.759
flat angles P-C4'-P energy: -21.678
tors. eta vs tors. theta energy: 17.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -1164.082431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.082431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.082431 (E_RNA)
where:
Base-Base interactions energy: -792.186
where: short stacking energy: -351.529
Base-Backbone interact. energy: -1.569
local terms energy: -370.326992
where:
bonds (distance) C4'-P energy: -66.993
bonds (distance) P-C4' energy: -66.714
flat angles C4'-P-C4' energy: -74.785
flat angles P-C4'-P energy: -52.993
tors. eta vs tors. theta energy: -108.842
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: 8
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -1110.517539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.517539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.517539 (E_RNA)
where:
Base-Base interactions energy: -773.798
where: short stacking energy: -339.999
Base-Backbone interact. energy: -1.608
local terms energy: -335.111430
where:
bonds (distance) C4'-P energy: -58.218
bonds (distance) P-C4' energy: -63.040
flat angles C4'-P-C4' energy: -67.103
flat angles P-C4'-P energy: -50.214
tors. eta vs tors. theta energy: -96.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -1035.748469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.748469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.748469 (E_RNA)
where:
Base-Base interactions energy: -700.109
where: short stacking energy: -307.212
Base-Backbone interact. energy: 0.249
local terms energy: -335.888724
where:
bonds (distance) C4'-P energy: -60.842
bonds (distance) P-C4' energy: -66.934
flat angles C4'-P-C4' energy: -67.882
flat angles P-C4'-P energy: -53.244
tors. eta vs tors. theta energy: -86.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -931.032081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.032081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.032081 (E_RNA)
where:
Base-Base interactions energy: -636.392
where: short stacking energy: -296.288
Base-Backbone interact. energy: -0.465
local terms energy: -294.175135
where:
bonds (distance) C4'-P energy: -60.155
bonds (distance) P-C4' energy: -52.561
flat angles C4'-P-C4' energy: -63.731
flat angles P-C4'-P energy: -36.982
tors. eta vs tors. theta energy: -80.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -934.655919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.655919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.655919 (E_RNA)
where:
Base-Base interactions energy: -644.697
where: short stacking energy: -291.798
Base-Backbone interact. energy: 3.886
local terms energy: -293.844620
where:
bonds (distance) C4'-P energy: -61.749
bonds (distance) P-C4' energy: -48.636
flat angles C4'-P-C4' energy: -64.971
flat angles P-C4'-P energy: -42.789
tors. eta vs tors. theta energy: -75.700
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: 4
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -846.034606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.034606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.034606 (E_RNA)
where:
Base-Base interactions energy: -560.564
where: short stacking energy: -264.478
Base-Backbone interact. energy: -1.254
local terms energy: -284.216369
where:
bonds (distance) C4'-P energy: -57.460
bonds (distance) P-C4' energy: -46.115
flat angles C4'-P-C4' energy: -60.071
flat angles P-C4'-P energy: -42.741
tors. eta vs tors. theta energy: -77.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -771.663031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.663031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.663031 (E_RNA)
where:
Base-Base interactions energy: -512.562
where: short stacking energy: -217.862
Base-Backbone interact. energy: 0.420
local terms energy: -259.520510
where:
bonds (distance) C4'-P energy: -47.970
bonds (distance) P-C4' energy: -57.630
flat angles C4'-P-C4' energy: -66.228
flat angles P-C4'-P energy: -40.879
tors. eta vs tors. theta energy: -46.814
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: 6
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -523.802538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.802538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.802538 (E_RNA)
where:
Base-Base interactions energy: -272.353
where: short stacking energy: -142.454
Base-Backbone interact. energy: -0.474
local terms energy: -250.975272
where:
bonds (distance) C4'-P energy: -64.457
bonds (distance) P-C4' energy: -70.102
flat angles C4'-P-C4' energy: -52.984
flat angles P-C4'-P energy: -40.512
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: 9, replica: 5
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -434.527493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.527493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.527493 (E_RNA)
where:
Base-Base interactions energy: -234.217
where: short stacking energy: -113.984
Base-Backbone interact. energy: -0.488
local terms energy: -199.822536
where:
bonds (distance) C4'-P energy: -49.406
bonds (distance) P-C4' energy: -53.470
flat angles C4'-P-C4' energy: -54.638
flat angles P-C4'-P energy: -35.956
tors. eta vs tors. theta energy: -6.352
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: 7
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -283.225727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.225727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.225727 (E_RNA)
where:
Base-Base interactions energy: -108.728
where: short stacking energy: -84.393
Base-Backbone interact. energy: -1.532
local terms energy: -172.965273
where:
bonds (distance) C4'-P energy: -54.103
bonds (distance) P-C4' energy: -64.064
flat angles C4'-P-C4' energy: -39.089
flat angles P-C4'-P energy: -24.949
tors. eta vs tors. theta energy: 9.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -1146.724755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.724755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.724755 (E_RNA)
where:
Base-Base interactions energy: -784.931
where: short stacking energy: -351.297
Base-Backbone interact. energy: -0.158
local terms energy: -361.635477
where:
bonds (distance) C4'-P energy: -59.232
bonds (distance) P-C4' energy: -66.008
flat angles C4'-P-C4' energy: -77.103
flat angles P-C4'-P energy: -56.304
tors. eta vs tors. theta energy: -102.989
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: 2, replica: 8
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -1096.611392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.611392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.611392 (E_RNA)
where:
Base-Base interactions energy: -753.701
where: short stacking energy: -321.460
Base-Backbone interact. energy: -2.053
local terms energy: -340.857270
where:
bonds (distance) C4'-P energy: -59.081
bonds (distance) P-C4' energy: -74.809
flat angles C4'-P-C4' energy: -71.488
flat angles P-C4'-P energy: -43.270
tors. eta vs tors. theta energy: -92.209
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: 3
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -1024.359662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.359662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.359662 (E_RNA)
where:
Base-Base interactions energy: -702.254
where: short stacking energy: -316.838
Base-Backbone interact. energy: 3.226
local terms energy: -325.331057
where:
bonds (distance) C4'-P energy: -66.350
bonds (distance) P-C4' energy: -61.391
flat angles C4'-P-C4' energy: -65.356
flat angles P-C4'-P energy: -42.445
tors. eta vs tors. theta energy: -89.789
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: 2
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -964.815763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.815763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.815763 (E_RNA)
where:
Base-Base interactions energy: -658.033
where: short stacking energy: -313.175
Base-Backbone interact. energy: -0.536
local terms energy: -306.246478
where:
bonds (distance) C4'-P energy: -56.099
bonds (distance) P-C4' energy: -54.481
flat angles C4'-P-C4' energy: -66.031
flat angles P-C4'-P energy: -57.543
tors. eta vs tors. theta energy: -72.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -906.725616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.725616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.725616 (E_RNA)
where:
Base-Base interactions energy: -611.025
where: short stacking energy: -258.771
Base-Backbone interact. energy: -1.288
local terms energy: -294.411905
where:
bonds (distance) C4'-P energy: -65.976
bonds (distance) P-C4' energy: -61.154
flat angles C4'-P-C4' energy: -67.717
flat angles P-C4'-P energy: -30.141
tors. eta vs tors. theta energy: -69.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -812.672618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.672618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.672618 (E_RNA)
where:
Base-Base interactions energy: -532.043
where: short stacking energy: -255.737
Base-Backbone interact. energy: -0.129
local terms energy: -280.501022
where:
bonds (distance) C4'-P energy: -58.765
bonds (distance) P-C4' energy: -52.098
flat angles C4'-P-C4' energy: -64.880
flat angles P-C4'-P energy: -38.612
tors. eta vs tors. theta energy: -66.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -720.480517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.480517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.480517 (E_RNA)
where:
Base-Base interactions energy: -453.339
where: short stacking energy: -206.167
Base-Backbone interact. energy: -3.300
local terms energy: -263.841565
where:
bonds (distance) C4'-P energy: -64.805
bonds (distance) P-C4' energy: -57.444
flat angles C4'-P-C4' energy: -58.327
flat angles P-C4'-P energy: -35.698
tors. eta vs tors. theta energy: -47.567
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: 6
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -474.666797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.666797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.666797 (E_RNA)
where:
Base-Base interactions energy: -260.959
where: short stacking energy: -129.781
Base-Backbone interact. energy: 1.281
local terms energy: -214.989333
where:
bonds (distance) C4'-P energy: -57.747
bonds (distance) P-C4' energy: -58.265
flat angles C4'-P-C4' energy: -51.727
flat angles P-C4'-P energy: -33.097
tors. eta vs tors. theta energy: -14.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -440.727304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.727304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.727304 (E_RNA)
where:
Base-Base interactions energy: -225.048
where: short stacking energy: -119.710
Base-Backbone interact. energy: -1.192
local terms energy: -214.487981
where:
bonds (distance) C4'-P energy: -59.622
bonds (distance) P-C4' energy: -51.550
flat angles C4'-P-C4' energy: -47.503
flat angles P-C4'-P energy: -38.121
tors. eta vs tors. theta energy: -17.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -293.414510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.414510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.414510 (E_RNA)
where:
Base-Base interactions energy: -124.847
where: short stacking energy: -85.009
Base-Backbone interact. energy: 2.390
local terms energy: -170.956906
where:
bonds (distance) C4'-P energy: -62.561
bonds (distance) P-C4' energy: -49.052
flat angles C4'-P-C4' energy: -39.119
flat angles P-C4'-P energy: -20.380
tors. eta vs tors. theta energy: 0.155
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: 1
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -1156.501514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.501514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.501514 (E_RNA)
where:
Base-Base interactions energy: -803.614
where: short stacking energy: -371.089
Base-Backbone interact. energy: -1.723
local terms energy: -351.164984
where:
bonds (distance) C4'-P energy: -62.590
bonds (distance) P-C4' energy: -57.834
flat angles C4'-P-C4' energy: -71.632
flat angles P-C4'-P energy: -56.850
tors. eta vs tors. theta energy: -102.258
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: 8
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -1116.486844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.486844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.486844 (E_RNA)
where:
Base-Base interactions energy: -773.968
where: short stacking energy: -337.145
Base-Backbone interact. energy: -1.373
local terms energy: -341.145647
where:
bonds (distance) C4'-P energy: -55.320
bonds (distance) P-C4' energy: -65.251
flat angles C4'-P-C4' energy: -69.782
flat angles P-C4'-P energy: -50.503
tors. eta vs tors. theta energy: -100.290
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: 3
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -1050.801730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.801730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.801730 (E_RNA)
where:
Base-Base interactions energy: -712.863
where: short stacking energy: -320.032
Base-Backbone interact. energy: -0.431
local terms energy: -337.507837
where:
bonds (distance) C4'-P energy: -58.450
bonds (distance) P-C4' energy: -66.300
flat angles C4'-P-C4' energy: -71.857
flat angles P-C4'-P energy: -46.405
tors. eta vs tors. theta energy: -94.495
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: 2
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -959.747629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.747629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.747629 (E_RNA)
where:
Base-Base interactions energy: -654.255
where: short stacking energy: -296.926
Base-Backbone interact. energy: -1.600
local terms energy: -303.892355
where:
bonds (distance) C4'-P energy: -61.317
bonds (distance) P-C4' energy: -55.504
flat angles C4'-P-C4' energy: -65.655
flat angles P-C4'-P energy: -47.562
tors. eta vs tors. theta energy: -73.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -939.080737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.080737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.080737 (E_RNA)
where:
Base-Base interactions energy: -648.923
where: short stacking energy: -270.115
Base-Backbone interact. energy: -1.140
local terms energy: -289.017481
where:
bonds (distance) C4'-P energy: -58.244
bonds (distance) P-C4' energy: -53.999
flat angles C4'-P-C4' energy: -61.106
flat angles P-C4'-P energy: -44.705
tors. eta vs tors. theta energy: -70.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -808.810688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.810688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.810688 (E_RNA)
where:
Base-Base interactions energy: -524.292
where: short stacking energy: -235.444
Base-Backbone interact. energy: -0.663
local terms energy: -283.855839
where:
bonds (distance) C4'-P energy: -53.025
bonds (distance) P-C4' energy: -66.773
flat angles C4'-P-C4' energy: -60.555
flat angles P-C4'-P energy: -44.349
tors. eta vs tors. theta energy: -59.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -736.479009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.479009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.479009 (E_RNA)
where:
Base-Base interactions energy: -486.422
where: short stacking energy: -218.804
Base-Backbone interact. energy: -1.295
local terms energy: -248.761639
where:
bonds (distance) C4'-P energy: -45.110
bonds (distance) P-C4' energy: -54.403
flat angles C4'-P-C4' energy: -56.364
flat angles P-C4'-P energy: -44.695
tors. eta vs tors. theta energy: -48.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -530.460492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.460492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.460492 (E_RNA)
where:
Base-Base interactions energy: -280.139
where: short stacking energy: -157.642
Base-Backbone interact. energy: 2.085
local terms energy: -252.406560
where:
bonds (distance) C4'-P energy: -61.544
bonds (distance) P-C4' energy: -59.620
flat angles C4'-P-C4' energy: -61.202
flat angles P-C4'-P energy: -35.604
tors. eta vs tors. theta energy: -34.435
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: 9, replica: 5
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -468.325230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.325230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.325230 (E_RNA)
where:
Base-Base interactions energy: -250.566
where: short stacking energy: -127.619
Base-Backbone interact. energy: -2.280
local terms energy: -215.480019
where:
bonds (distance) C4'-P energy: -47.829
bonds (distance) P-C4' energy: -58.870
flat angles C4'-P-C4' energy: -55.093
flat angles P-C4'-P energy: -34.027
tors. eta vs tors. theta energy: -19.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -277.801034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.801034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.801034 (E_RNA)
where:
Base-Base interactions energy: -87.946
where: short stacking energy: -75.684
Base-Backbone interact. energy: -0.705
local terms energy: -189.150224
where:
bonds (distance) C4'-P energy: -61.309
bonds (distance) P-C4' energy: -57.841
flat angles C4'-P-C4' energy: -45.525
flat angles P-C4'-P energy: -23.173
tors. eta vs tors. theta energy: -1.302
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: 1
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -1160.521295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.521295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.521295 (E_RNA)
where:
Base-Base interactions energy: -810.882
where: short stacking energy: -347.113
Base-Backbone interact. energy: -0.809
local terms energy: -348.830853
where:
bonds (distance) C4'-P energy: -60.343
bonds (distance) P-C4' energy: -69.023
flat angles C4'-P-C4' energy: -74.696
flat angles P-C4'-P energy: -46.371
tors. eta vs tors. theta energy: -98.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -1114.696590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.696590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.696590 (E_RNA)
where:
Base-Base interactions energy: -771.494
where: short stacking energy: -342.072
Base-Backbone interact. energy: -2.569
local terms energy: -340.633651
where:
bonds (distance) C4'-P energy: -62.985
bonds (distance) P-C4' energy: -65.350
flat angles C4'-P-C4' energy: -78.042
flat angles P-C4'-P energy: -37.340
tors. eta vs tors. theta energy: -96.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -1031.218396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.218396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.218396 (E_RNA)
where:
Base-Base interactions energy: -702.681
where: short stacking energy: -311.191
Base-Backbone interact. energy: 2.090
local terms energy: -330.627792
where:
bonds (distance) C4'-P energy: -50.831
bonds (distance) P-C4' energy: -65.646
flat angles C4'-P-C4' energy: -77.697
flat angles P-C4'-P energy: -48.516
tors. eta vs tors. theta energy: -87.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -994.113544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.113544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.113544 (E_RNA)
where:
Base-Base interactions energy: -695.246
where: short stacking energy: -300.058
Base-Backbone interact. energy: -0.492
local terms energy: -298.375452
where:
bonds (distance) C4'-P energy: -52.685
bonds (distance) P-C4' energy: -55.868
flat angles C4'-P-C4' energy: -68.812
flat angles P-C4'-P energy: -49.276
tors. eta vs tors. theta energy: -71.734
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: 139
Temperature: 1.100000
Total energy: -925.802059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.802059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.802059 (E_RNA)
where:
Base-Base interactions energy: -628.335
where: short stacking energy: -259.940
Base-Backbone interact. energy: -1.563
local terms energy: -295.903700
where:
bonds (distance) C4'-P energy: -55.752
bonds (distance) P-C4' energy: -58.076
flat angles C4'-P-C4' energy: -65.932
flat angles P-C4'-P energy: -48.694
tors. eta vs tors. theta energy: -67.449
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: 6, replica: 4
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -836.838697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.838697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.838697 (E_RNA)
where:
Base-Base interactions energy: -524.792
where: short stacking energy: -251.480
Base-Backbone interact. energy: -0.061
local terms energy: -311.985162
where:
bonds (distance) C4'-P energy: -63.066
bonds (distance) P-C4' energy: -68.552
flat angles C4'-P-C4' energy: -70.729
flat angles P-C4'-P energy: -48.039
tors. eta vs tors. theta energy: -61.600
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: 9
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -739.377780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.377780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.377780 (E_RNA)
where:
Base-Base interactions energy: -447.492
where: short stacking energy: -218.302
Base-Backbone interact. energy: 0.784
local terms energy: -292.669789
where:
bonds (distance) C4'-P energy: -70.407
bonds (distance) P-C4' energy: -61.793
flat angles C4'-P-C4' energy: -58.622
flat angles P-C4'-P energy: -44.696
tors. eta vs tors. theta energy: -57.152
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: 6
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -510.727864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.727864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.727864 (E_RNA)
where:
Base-Base interactions energy: -285.654
where: short stacking energy: -135.771
Base-Backbone interact. energy: -0.833
local terms energy: -224.240670
where:
bonds (distance) C4'-P energy: -68.275
bonds (distance) P-C4' energy: -64.567
flat angles C4'-P-C4' energy: -51.085
flat angles P-C4'-P energy: -26.529
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: 9, replica: 5
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -457.242613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.242613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.242613 (E_RNA)
where:
Base-Base interactions energy: -243.931
where: short stacking energy: -132.156
Base-Backbone interact. energy: -0.246
local terms energy: -213.066438
where:
bonds (distance) C4'-P energy: -48.588
bonds (distance) P-C4' energy: -55.283
flat angles C4'-P-C4' energy: -55.480
flat angles P-C4'-P energy: -37.832
tors. eta vs tors. theta energy: -15.884
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: 7
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -296.729828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.729828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.729828 (E_RNA)
where:
Base-Base interactions energy: -100.389
where: short stacking energy: -96.406
Base-Backbone interact. energy: -0.444
local terms energy: -195.896229
where:
bonds (distance) C4'-P energy: -51.461
bonds (distance) P-C4' energy: -57.305
flat angles C4'-P-C4' energy: -53.684
flat angles P-C4'-P energy: -30.344
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: 1, replica: 8
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -1125.507622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.507622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.507622 (E_RNA)
where:
Base-Base interactions energy: -777.091
where: short stacking energy: -335.550
Base-Backbone interact. energy: -0.542
local terms energy: -347.874389
where:
bonds (distance) C4'-P energy: -65.474
bonds (distance) P-C4' energy: -67.911
flat angles C4'-P-C4' energy: -73.316
flat angles P-C4'-P energy: -46.734
tors. eta vs tors. theta energy: -94.438
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: 1
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -1158.745180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.745180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.745180 (E_RNA)
where:
Base-Base interactions energy: -807.899
where: short stacking energy: -346.046
Base-Backbone interact. energy: -0.308
local terms energy: -350.538537
where:
bonds (distance) C4'-P energy: -64.948
bonds (distance) P-C4' energy: -70.006
flat angles C4'-P-C4' energy: -68.900
flat angles P-C4'-P energy: -51.550
tors. eta vs tors. theta energy: -95.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -1000.089265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.089265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.089265 (E_RNA)
where:
Base-Base interactions energy: -686.706
where: short stacking energy: -282.844
Base-Backbone interact. energy: -1.026
local terms energy: -312.357207
where:
bonds (distance) C4'-P energy: -62.940
bonds (distance) P-C4' energy: -58.139
flat angles C4'-P-C4' energy: -61.350
flat angles P-C4'-P energy: -47.186
tors. eta vs tors. theta energy: -82.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -1037.482787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.482787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.482787 (E_RNA)
where:
Base-Base interactions energy: -711.436
where: short stacking energy: -302.255
Base-Backbone interact. energy: -1.287
local terms energy: -324.760425
where:
bonds (distance) C4'-P energy: -60.586
bonds (distance) P-C4' energy: -63.941
flat angles C4'-P-C4' energy: -72.381
flat angles P-C4'-P energy: -45.696
tors. eta vs tors. theta energy: -82.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -908.271899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.271899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.271899 (E_RNA)
where:
Base-Base interactions energy: -609.859
where: short stacking energy: -274.681
Base-Backbone interact. energy: 0.361
local terms energy: -298.773588
where:
bonds (distance) C4'-P energy: -61.747
bonds (distance) P-C4' energy: -54.000
flat angles C4'-P-C4' energy: -72.277
flat angles P-C4'-P energy: -43.818
tors. eta vs tors. theta energy: -66.931
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: 6, replica: 4
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -818.004948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.004948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.004948 (E_RNA)
where:
Base-Base interactions energy: -529.823
where: short stacking energy: -244.610
Base-Backbone interact. energy: -1.376
local terms energy: -286.805632
where:
bonds (distance) C4'-P energy: -60.062
bonds (distance) P-C4' energy: -55.744
flat angles C4'-P-C4' energy: -65.145
flat angles P-C4'-P energy: -38.126
tors. eta vs tors. theta energy: -67.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -721.457365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.457365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.457365 (E_RNA)
where:
Base-Base interactions energy: -451.953
where: short stacking energy: -230.069
Base-Backbone interact. energy: -1.074
local terms energy: -268.430046
where:
bonds (distance) C4'-P energy: -60.241
bonds (distance) P-C4' energy: -55.161
flat angles C4'-P-C4' energy: -55.936
flat angles P-C4'-P energy: -47.938
tors. eta vs tors. theta energy: -49.153
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: 8, replica: 6
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -517.180849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.180849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.180849 (E_RNA)
where:
Base-Base interactions energy: -302.350
where: short stacking energy: -152.904
Base-Backbone interact. energy: -0.182
local terms energy: -214.648821
where:
bonds (distance) C4'-P energy: -47.032
bonds (distance) P-C4' energy: -65.081
flat angles C4'-P-C4' energy: -57.561
flat angles P-C4'-P energy: -22.236
tors. eta vs tors. theta energy: -22.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -425.033047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.033047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.033047 (E_RNA)
where:
Base-Base interactions energy: -216.989
where: short stacking energy: -110.834
Base-Backbone interact. energy: 2.499
local terms energy: -210.543857
where:
bonds (distance) C4'-P energy: -51.819
bonds (distance) P-C4' energy: -63.621
flat angles C4'-P-C4' energy: -53.754
flat angles P-C4'-P energy: -33.292
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: 10, replica: 7
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -291.462621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.462621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.462621 (E_RNA)
where:
Base-Base interactions energy: -112.187
where: short stacking energy: -77.408
Base-Backbone interact. energy: 2.587
local terms energy: -181.861847
where:
bonds (distance) C4'-P energy: -54.963
bonds (distance) P-C4' energy: -60.195
flat angles C4'-P-C4' energy: -53.412
flat angles P-C4'-P energy: -19.515
tors. eta vs tors. theta energy: 6.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -1151.662700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.662700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.662700 (E_RNA)
where:
Base-Base interactions energy: -799.087
where: short stacking energy: -339.961
Base-Backbone interact. energy: -2.735
local terms energy: -349.840439
where:
bonds (distance) C4'-P energy: -55.658
bonds (distance) P-C4' energy: -73.967
flat angles C4'-P-C4' energy: -69.470
flat angles P-C4'-P energy: -53.007
tors. eta vs tors. theta energy: -97.739
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: 1
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -1105.404899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.404899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.404899 (E_RNA)
where:
Base-Base interactions energy: -772.787
where: short stacking energy: -338.036
Base-Backbone interact. energy: -1.991
local terms energy: -330.626805
where:
bonds (distance) C4'-P energy: -67.056
bonds (distance) P-C4' energy: -61.211
flat angles C4'-P-C4' energy: -69.013
flat angles P-C4'-P energy: -37.849
tors. eta vs tors. theta energy: -95.498
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: 3, replica: 10
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -1009.895979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.895979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.895979 (E_RNA)
where:
Base-Base interactions energy: -691.067
where: short stacking energy: -273.658
Base-Backbone interact. energy: -2.491
local terms energy: -316.337710
where:
bonds (distance) C4'-P energy: -64.158
bonds (distance) P-C4' energy: -69.733
flat angles C4'-P-C4' energy: -60.063
flat angles P-C4'-P energy: -48.618
tors. eta vs tors. theta energy: -73.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -1018.055630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.055630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.055630 (E_RNA)
where:
Base-Base interactions energy: -692.014
where: short stacking energy: -313.055
Base-Backbone interact. energy: -1.310
local terms energy: -324.731225
where:
bonds (distance) C4'-P energy: -67.770
bonds (distance) P-C4' energy: -56.908
flat angles C4'-P-C4' energy: -71.520
flat angles P-C4'-P energy: -40.652
tors. eta vs tors. theta energy: -87.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -926.873234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.873234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.873234 (E_RNA)
where:
Base-Base interactions energy: -626.732
where: short stacking energy: -271.179
Base-Backbone interact. energy: -1.824
local terms energy: -298.316969
where:
bonds (distance) C4'-P energy: -61.515
bonds (distance) P-C4' energy: -60.611
flat angles C4'-P-C4' energy: -67.686
flat angles P-C4'-P energy: -34.075
tors. eta vs tors. theta energy: -74.430
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: 4
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -817.201924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.201924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.201924 (E_RNA)
where:
Base-Base interactions energy: -545.660
where: short stacking energy: -241.353
Base-Backbone interact. energy: -1.737
local terms energy: -269.805241
where:
bonds (distance) C4'-P energy: -46.603
bonds (distance) P-C4' energy: -60.528
flat angles C4'-P-C4' energy: -67.872
flat angles P-C4'-P energy: -31.696
tors. eta vs tors. theta energy: -63.107
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: 9
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -773.410560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.410560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.410560 (E_RNA)
where:
Base-Base interactions energy: -496.760
where: short stacking energy: -242.767
Base-Backbone interact. energy: -1.704
local terms energy: -274.946719
where:
bonds (distance) C4'-P energy: -49.850
bonds (distance) P-C4' energy: -66.209
flat angles C4'-P-C4' energy: -62.978
flat angles P-C4'-P energy: -41.979
tors. eta vs tors. theta energy: -53.930
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: 141
Temperature: 1.250000
Total energy: -535.617731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.617731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.617731 (E_RNA)
where:
Base-Base interactions energy: -287.846
where: short stacking energy: -154.022
Base-Backbone interact. energy: -0.978
local terms energy: -246.793778
where:
bonds (distance) C4'-P energy: -55.304
bonds (distance) P-C4' energy: -69.825
flat angles C4'-P-C4' energy: -59.162
flat angles P-C4'-P energy: -37.355
tors. eta vs tors. theta energy: -25.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -506.679697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.679697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.679697 (E_RNA)
where:
Base-Base interactions energy: -289.679
where: short stacking energy: -130.417
Base-Backbone interact. energy: 1.406
local terms energy: -218.407426
where:
bonds (distance) C4'-P energy: -54.649
bonds (distance) P-C4' energy: -52.233
flat angles C4'-P-C4' energy: -60.614
flat angles P-C4'-P energy: -29.021
tors. eta vs tors. theta energy: -21.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -266.109750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.109750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.109750 (E_RNA)
where:
Base-Base interactions energy: -94.696
where: short stacking energy: -80.979
Base-Backbone interact. energy: 5.533
local terms energy: -176.946260
where:
bonds (distance) C4'-P energy: -56.324
bonds (distance) P-C4' energy: -55.505
flat angles C4'-P-C4' energy: -45.572
flat angles P-C4'-P energy: -30.135
tors. eta vs tors. theta energy: 10.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -1176.536281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.536281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.536281 (E_RNA)
where:
Base-Base interactions energy: -810.394
where: short stacking energy: -368.292
Base-Backbone interact. energy: -1.360
local terms energy: -364.781854
where:
bonds (distance) C4'-P energy: -64.014
bonds (distance) P-C4' energy: -68.154
flat angles C4'-P-C4' energy: -76.287
flat angles P-C4'-P energy: -45.810
tors. eta vs tors. theta energy: -110.517
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: 8
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -1118.324000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.324000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.324000 (E_RNA)
where:
Base-Base interactions energy: -768.865
where: short stacking energy: -338.557
Base-Backbone interact. energy: -0.790
local terms energy: -348.669369
where:
bonds (distance) C4'-P energy: -66.063
bonds (distance) P-C4' energy: -68.511
flat angles C4'-P-C4' energy: -61.785
flat angles P-C4'-P energy: -56.496
tors. eta vs tors. theta energy: -95.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -1055.670067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.670067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.670067 (E_RNA)
where:
Base-Base interactions energy: -722.184
where: short stacking energy: -304.872
Base-Backbone interact. energy: -1.191
local terms energy: -332.295035
where:
bonds (distance) C4'-P energy: -69.924
bonds (distance) P-C4' energy: -51.904
flat angles C4'-P-C4' energy: -75.412
flat angles P-C4'-P energy: -50.251
tors. eta vs tors. theta energy: -84.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -1001.037911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.037911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.037911 (E_RNA)
where:
Base-Base interactions energy: -672.314
where: short stacking energy: -302.880
Base-Backbone interact. energy: 1.162
local terms energy: -329.886090
where:
bonds (distance) C4'-P energy: -57.954
bonds (distance) P-C4' energy: -67.161
flat angles C4'-P-C4' energy: -70.166
flat angles P-C4'-P energy: -50.881
tors. eta vs tors. theta energy: -83.725
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: 2
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -895.245073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.245073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.245073 (E_RNA)
where:
Base-Base interactions energy: -606.969
where: short stacking energy: -268.592
Base-Backbone interact. energy: -1.118
local terms energy: -287.158499
where:
bonds (distance) C4'-P energy: -57.580
bonds (distance) P-C4' energy: -56.353
flat angles C4'-P-C4' energy: -70.394
flat angles P-C4'-P energy: -31.071
tors. eta vs tors. theta energy: -71.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -834.374213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.374213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.374213 (E_RNA)
where:
Base-Base interactions energy: -552.889
where: short stacking energy: -250.997
Base-Backbone interact. energy: -0.845
local terms energy: -280.640357
where:
bonds (distance) C4'-P energy: -53.193
bonds (distance) P-C4' energy: -59.687
flat angles C4'-P-C4' energy: -62.034
flat angles P-C4'-P energy: -39.144
tors. eta vs tors. theta energy: -66.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -745.781769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.781769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.781769 (E_RNA)
where:
Base-Base interactions energy: -501.370
where: short stacking energy: -215.690
Base-Backbone interact. energy: 1.740
local terms energy: -246.152030
where:
bonds (distance) C4'-P energy: -48.657
bonds (distance) P-C4' energy: -51.564
flat angles C4'-P-C4' energy: -51.879
flat angles P-C4'-P energy: -41.316
tors. eta vs tors. theta energy: -52.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -495.520530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.520530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.520530 (E_RNA)
where:
Base-Base interactions energy: -273.059
where: short stacking energy: -151.713
Base-Backbone interact. energy: -0.265
local terms energy: -222.196533
where:
bonds (distance) C4'-P energy: -51.263
bonds (distance) P-C4' energy: -60.034
flat angles C4'-P-C4' energy: -51.519
flat angles P-C4'-P energy: -38.605
tors. eta vs tors. theta energy: -20.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -540.476529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.476529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.476529 (E_RNA)
where:
Base-Base interactions energy: -318.361
where: short stacking energy: -166.865
Base-Backbone interact. energy: -2.163
local terms energy: -219.952980
where:
bonds (distance) C4'-P energy: -67.355
bonds (distance) P-C4' energy: -59.222
flat angles C4'-P-C4' energy: -35.888
flat angles P-C4'-P energy: -33.066
tors. eta vs tors. theta energy: -24.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -268.999059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.999059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.999059 (E_RNA)
where:
Base-Base interactions energy: -94.977
where: short stacking energy: -81.334
Base-Backbone interact. energy: 1.320
local terms energy: -175.341475
where:
bonds (distance) C4'-P energy: -62.108
bonds (distance) P-C4' energy: -47.146
flat angles C4'-P-C4' energy: -49.673
flat angles P-C4'-P energy: -35.174
tors. eta vs tors. theta energy: 18.760
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: 1
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -1178.019616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.019616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.019616 (E_RNA)
where:
Base-Base interactions energy: -799.727
where: short stacking energy: -377.952
Base-Backbone interact. energy: -0.194
local terms energy: -378.098136
where:
bonds (distance) C4'-P energy: -70.269
bonds (distance) P-C4' energy: -63.862
flat angles C4'-P-C4' energy: -79.232
flat angles P-C4'-P energy: -54.795
tors. eta vs tors. theta energy: -109.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -1136.637564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.637564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.637564 (E_RNA)
where:
Base-Base interactions energy: -786.534
where: short stacking energy: -341.010
Base-Backbone interact. energy: -0.907
local terms energy: -349.196463
where:
bonds (distance) C4'-P energy: -69.903
bonds (distance) P-C4' energy: -56.422
flat angles C4'-P-C4' energy: -68.805
flat angles P-C4'-P energy: -54.240
tors. eta vs tors. theta energy: -99.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -1054.671197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.671197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.671197 (E_RNA)
where:
Base-Base interactions energy: -718.359
where: short stacking energy: -309.796
Base-Backbone interact. energy: -1.155
local terms energy: -335.156809
where:
bonds (distance) C4'-P energy: -71.586
bonds (distance) P-C4' energy: -60.995
flat angles C4'-P-C4' energy: -71.034
flat angles P-C4'-P energy: -48.110
tors. eta vs tors. theta energy: -83.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -1017.931367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.931367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.931367 (E_RNA)
where:
Base-Base interactions energy: -688.021
where: short stacking energy: -289.298
Base-Backbone interact. energy: 0.302
local terms energy: -330.211842
where:
bonds (distance) C4'-P energy: -54.301
bonds (distance) P-C4' energy: -68.863
flat angles C4'-P-C4' energy: -69.624
flat angles P-C4'-P energy: -49.925
tors. eta vs tors. theta energy: -87.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -925.969176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.969176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.969176 (E_RNA)
where:
Base-Base interactions energy: -626.382
where: short stacking energy: -280.657
Base-Backbone interact. energy: -1.309
local terms energy: -298.278268
where:
bonds (distance) C4'-P energy: -51.557
bonds (distance) P-C4' energy: -62.228
flat angles C4'-P-C4' energy: -62.241
flat angles P-C4'-P energy: -46.130
tors. eta vs tors. theta energy: -76.122
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: 9
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -766.904621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.904621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.904621 (E_RNA)
where:
Base-Base interactions energy: -521.545
where: short stacking energy: -210.121
Base-Backbone interact. energy: 4.422
local terms energy: -249.781990
where:
bonds (distance) C4'-P energy: -53.587
bonds (distance) P-C4' energy: -61.967
flat angles C4'-P-C4' energy: -50.387
flat angles P-C4'-P energy: -36.533
tors. eta vs tors. theta energy: -47.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -837.533036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.533036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.533036 (E_RNA)
where:
Base-Base interactions energy: -558.511
where: short stacking energy: -239.622
Base-Backbone interact. energy: -0.647
local terms energy: -278.375054
where:
bonds (distance) C4'-P energy: -66.399
bonds (distance) P-C4' energy: -57.833
flat angles C4'-P-C4' energy: -42.102
flat angles P-C4'-P energy: -44.317
tors. eta vs tors. theta energy: -67.725
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: 6
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -544.554038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.554038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.554038 (E_RNA)
where:
Base-Base interactions energy: -314.425
where: short stacking energy: -156.323
Base-Backbone interact. energy: 3.383
local terms energy: -233.511360
where:
bonds (distance) C4'-P energy: -61.264
bonds (distance) P-C4' energy: -54.858
flat angles C4'-P-C4' energy: -57.098
flat angles P-C4'-P energy: -35.539
tors. eta vs tors. theta energy: -24.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -450.790383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.790383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.790383 (E_RNA)
where:
Base-Base interactions energy: -250.992
where: short stacking energy: -155.585
Base-Backbone interact. energy: -0.960
local terms energy: -198.839098
where:
bonds (distance) C4'-P energy: -46.051
bonds (distance) P-C4' energy: -56.337
flat angles C4'-P-C4' energy: -53.380
flat angles P-C4'-P energy: -32.666
tors. eta vs tors. theta energy: -10.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -275.306104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.306104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.306104 (E_RNA)
where:
Base-Base interactions energy: -107.319
where: short stacking energy: -85.755
Base-Backbone interact. energy: -1.730
local terms energy: -166.256224
where:
bonds (distance) C4'-P energy: -54.441
bonds (distance) P-C4' energy: -56.091
flat angles C4'-P-C4' energy: -37.933
flat angles P-C4'-P energy: -22.885
tors. eta vs tors. theta energy: 5.094
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: 1
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -1173.663630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.663630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.663630 (E_RNA)
where:
Base-Base interactions energy: -800.784
where: short stacking energy: -359.572
Base-Backbone interact. energy: -2.273
local terms energy: -370.606670
where:
bonds (distance) C4'-P energy: -73.756
bonds (distance) P-C4' energy: -62.554
flat angles C4'-P-C4' energy: -77.236
flat angles P-C4'-P energy: -54.673
tors. eta vs tors. theta energy: -102.387
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: 2, replica: 8
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -1111.623847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.623847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.623847 (E_RNA)
where:
Base-Base interactions energy: -774.975
where: short stacking energy: -336.805
Base-Backbone interact. energy: -1.479
local terms energy: -335.170347
where:
bonds (distance) C4'-P energy: -63.482
bonds (distance) P-C4' energy: -51.720
flat angles C4'-P-C4' energy: -75.839
flat angles P-C4'-P energy: -49.290
tors. eta vs tors. theta energy: -94.839
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: 144
Temperature: 1.000000
Total energy: -1066.600782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.600782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.600782 (E_RNA)
where:
Base-Base interactions energy: -728.136
where: short stacking energy: -315.924
Base-Backbone interact. energy: 0.676
local terms energy: -339.140856
where:
bonds (distance) C4'-P energy: -59.839
bonds (distance) P-C4' energy: -57.865
flat angles C4'-P-C4' energy: -73.439
flat angles P-C4'-P energy: -55.244
tors. eta vs tors. theta energy: -92.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -991.041803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.041803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.041803 (E_RNA)
where:
Base-Base interactions energy: -689.356
where: short stacking energy: -303.060
Base-Backbone interact. energy: 0.510
local terms energy: -302.195375
where:
bonds (distance) C4'-P energy: -58.518
bonds (distance) P-C4' energy: -53.879
flat angles C4'-P-C4' energy: -70.189
flat angles P-C4'-P energy: -46.915
tors. eta vs tors. theta energy: -72.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -928.814291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.814291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.814291 (E_RNA)
where:
Base-Base interactions energy: -641.647
where: short stacking energy: -281.146
Base-Backbone interact. energy: 1.317
local terms energy: -288.484536
where:
bonds (distance) C4'-P energy: -52.449
bonds (distance) P-C4' energy: -62.416
flat angles C4'-P-C4' energy: -62.190
flat angles P-C4'-P energy: -40.674
tors. eta vs tors. theta energy: -70.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -790.838690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.838690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.838690 (E_RNA)
where:
Base-Base interactions energy: -515.102
where: short stacking energy: -249.021
Base-Backbone interact. energy: 0.012
local terms energy: -275.748613
where:
bonds (distance) C4'-P energy: -60.026
bonds (distance) P-C4' energy: -57.450
flat angles C4'-P-C4' energy: -56.492
flat angles P-C4'-P energy: -39.999
tors. eta vs tors. theta energy: -61.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -830.611663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.611663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.611663 (E_RNA)
where:
Base-Base interactions energy: -548.752
where: short stacking energy: -238.841
Base-Backbone interact. energy: -0.637
local terms energy: -281.223111
where:
bonds (distance) C4'-P energy: -54.703
bonds (distance) P-C4' energy: -52.637
flat angles C4'-P-C4' energy: -60.654
flat angles P-C4'-P energy: -49.585
tors. eta vs tors. theta energy: -63.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -606.378143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.378143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.378143 (E_RNA)
where:
Base-Base interactions energy: -356.822
where: short stacking energy: -183.826
Base-Backbone interact. energy: -0.972
local terms energy: -248.584552
where:
bonds (distance) C4'-P energy: -58.405
bonds (distance) P-C4' energy: -66.236
flat angles C4'-P-C4' energy: -66.289
flat angles P-C4'-P energy: -32.530
tors. eta vs tors. theta energy: -25.124
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: 5
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -441.865422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.865422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.865422 (E_RNA)
where:
Base-Base interactions energy: -252.550
where: short stacking energy: -138.870
Base-Backbone interact. energy: -0.959
local terms energy: -188.356160
where:
bonds (distance) C4'-P energy: -68.441
bonds (distance) P-C4' energy: -54.663
flat angles C4'-P-C4' energy: -36.927
flat angles P-C4'-P energy: -28.277
tors. eta vs tors. theta energy: -0.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -274.438805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.438805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.438805 (E_RNA)
where:
Base-Base interactions energy: -92.992
where: short stacking energy: -74.445
Base-Backbone interact. energy: 0.403
local terms energy: -181.849761
where:
bonds (distance) C4'-P energy: -48.282
bonds (distance) P-C4' energy: -71.588
flat angles C4'-P-C4' energy: -41.785
flat angles P-C4'-P energy: -36.805
tors. eta vs tors. theta energy: 16.610
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: 1
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -1178.411881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.411881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.411881 (E_RNA)
where:
Base-Base interactions energy: -808.006
where: short stacking energy: -360.167
Base-Backbone interact. energy: -1.763
local terms energy: -368.642602
where:
bonds (distance) C4'-P energy: -70.259
bonds (distance) P-C4' energy: -64.150
flat angles C4'-P-C4' energy: -77.900
flat angles P-C4'-P energy: -49.511
tors. eta vs tors. theta energy: -106.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -1101.999404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.999404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.999404 (E_RNA)
where:
Base-Base interactions energy: -769.455
where: short stacking energy: -337.886
Base-Backbone interact. energy: -2.816
local terms energy: -329.729260
where:
bonds (distance) C4'-P energy: -55.872
bonds (distance) P-C4' energy: -66.394
flat angles C4'-P-C4' energy: -66.641
flat angles P-C4'-P energy: -45.001
tors. eta vs tors. theta energy: -95.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -1084.428052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.428052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.428052 (E_RNA)
where:
Base-Base interactions energy: -737.660
where: short stacking energy: -315.781
Base-Backbone interact. energy: -1.309
local terms energy: -345.459400
where:
bonds (distance) C4'-P energy: -70.893
bonds (distance) P-C4' energy: -63.884
flat angles C4'-P-C4' energy: -72.222
flat angles P-C4'-P energy: -43.188
tors. eta vs tors. theta energy: -95.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -1011.437426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.437426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.437426 (E_RNA)
where:
Base-Base interactions energy: -690.450
where: short stacking energy: -317.942
Base-Backbone interact. energy: 0.097
local terms energy: -321.083722
where:
bonds (distance) C4'-P energy: -55.175
bonds (distance) P-C4' energy: -64.614
flat angles C4'-P-C4' energy: -72.278
flat angles P-C4'-P energy: -40.518
tors. eta vs tors. theta energy: -88.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -936.314124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.314124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.314124 (E_RNA)
where:
Base-Base interactions energy: -636.827
where: short stacking energy: -274.083
Base-Backbone interact. energy: -1.503
local terms energy: -297.984448
where:
bonds (distance) C4'-P energy: -54.208
bonds (distance) P-C4' energy: -56.535
flat angles C4'-P-C4' energy: -72.883
flat angles P-C4'-P energy: -42.035
tors. eta vs tors. theta energy: -72.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -860.431377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.431377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.431377 (E_RNA)
where:
Base-Base interactions energy: -553.959
where: short stacking energy: -266.310
Base-Backbone interact. energy: -0.518
local terms energy: -305.954341
where:
bonds (distance) C4'-P energy: -62.620
bonds (distance) P-C4' energy: -68.246
flat angles C4'-P-C4' energy: -58.354
flat angles P-C4'-P energy: -44.295
tors. eta vs tors. theta energy: -72.438
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: 9
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -766.810378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.810378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.810378 (E_RNA)
where:
Base-Base interactions energy: -492.974
where: short stacking energy: -212.951
Base-Backbone interact. energy: -1.281
local terms energy: -272.555986
where:
bonds (distance) C4'-P energy: -71.918
bonds (distance) P-C4' energy: -61.669
flat angles C4'-P-C4' energy: -54.017
flat angles P-C4'-P energy: -36.805
tors. eta vs tors. theta energy: -48.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -536.029139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.029139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.029139 (E_RNA)
where:
Base-Base interactions energy: -320.255
where: short stacking energy: -140.780
Base-Backbone interact. energy: -1.362
local terms energy: -214.412225
where:
bonds (distance) C4'-P energy: -54.580
bonds (distance) P-C4' energy: -58.529
flat angles C4'-P-C4' energy: -53.628
flat angles P-C4'-P energy: -38.690
tors. eta vs tors. theta energy: -8.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -445.714682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.714682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.714682 (E_RNA)
where:
Base-Base interactions energy: -231.717
where: short stacking energy: -136.793
Base-Backbone interact. energy: 5.578
local terms energy: -219.576353
where:
bonds (distance) C4'-P energy: -57.807
bonds (distance) P-C4' energy: -63.829
flat angles C4'-P-C4' energy: -51.244
flat angles P-C4'-P energy: -40.524
tors. eta vs tors. theta energy: -6.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -282.391716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.391716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.391716 (E_RNA)
where:
Base-Base interactions energy: -105.719
where: short stacking energy: -83.861
Base-Backbone interact. energy: -1.957
local terms energy: -174.715601
where:
bonds (distance) C4'-P energy: -49.245
bonds (distance) P-C4' energy: -46.030
flat angles C4'-P-C4' energy: -46.043
flat angles P-C4'-P energy: -37.370
tors. eta vs tors. theta energy: 3.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -1172.574272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.574272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.574272 (E_RNA)
where:
Base-Base interactions energy: -805.022
where: short stacking energy: -352.633
Base-Backbone interact. energy: -0.634
local terms energy: -366.918257
where:
bonds (distance) C4'-P energy: -66.681
bonds (distance) P-C4' energy: -58.937
flat angles C4'-P-C4' energy: -77.067
flat angles P-C4'-P energy: -57.926
tors. eta vs tors. theta energy: -106.308
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: 8
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -1098.914734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.914734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.914734 (E_RNA)
where:
Base-Base interactions energy: -748.685
where: short stacking energy: -321.276
Base-Backbone interact. energy: -3.591
local terms energy: -346.639240
where:
bonds (distance) C4'-P energy: -60.296
bonds (distance) P-C4' energy: -63.424
flat angles C4'-P-C4' energy: -75.208
flat angles P-C4'-P energy: -53.052
tors. eta vs tors. theta energy: -94.659
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: 10
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -1116.713319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.713319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.713319 (E_RNA)
where:
Base-Base interactions energy: -761.526
where: short stacking energy: -317.450
Base-Backbone interact. energy: -1.130
local terms energy: -354.057597
where:
bonds (distance) C4'-P energy: -60.834
bonds (distance) P-C4' energy: -73.847
flat angles C4'-P-C4' energy: -71.208
flat angles P-C4'-P energy: -53.308
tors. eta vs tors. theta energy: -94.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -1019.180225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.180225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.180225 (E_RNA)
where:
Base-Base interactions energy: -677.936
where: short stacking energy: -292.591
Base-Backbone interact. energy: -1.372
local terms energy: -339.872276
where:
bonds (distance) C4'-P energy: -63.966
bonds (distance) P-C4' energy: -74.869
flat angles C4'-P-C4' energy: -60.282
flat angles P-C4'-P energy: -52.676
tors. eta vs tors. theta energy: -88.080
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: 2
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -938.640466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.640466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.640466 (E_RNA)
where:
Base-Base interactions energy: -620.873
where: short stacking energy: -279.626
Base-Backbone interact. energy: -1.020
local terms energy: -316.748020
where:
bonds (distance) C4'-P energy: -48.499
bonds (distance) P-C4' energy: -71.237
flat angles C4'-P-C4' energy: -75.314
flat angles P-C4'-P energy: -36.764
tors. eta vs tors. theta energy: -84.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -848.565142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.565142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.565142 (E_RNA)
where:
Base-Base interactions energy: -562.359
where: short stacking energy: -246.896
Base-Backbone interact. energy: -0.427
local terms energy: -285.779739
where:
bonds (distance) C4'-P energy: -52.406
bonds (distance) P-C4' energy: -59.324
flat angles C4'-P-C4' energy: -62.403
flat angles P-C4'-P energy: -37.927
tors. eta vs tors. theta energy: -73.720
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: 7, replica: 9
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -737.482432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.482432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.482432 (E_RNA)
where:
Base-Base interactions energy: -498.865
where: short stacking energy: -222.694
Base-Backbone interact. energy: -0.751
local terms energy: -237.866479
where:
bonds (distance) C4'-P energy: -47.893
bonds (distance) P-C4' energy: -54.315
flat angles C4'-P-C4' energy: -55.113
flat angles P-C4'-P energy: -26.507
tors. eta vs tors. theta energy: -54.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -558.524146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.524146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.524146 (E_RNA)
where:
Base-Base interactions energy: -326.592
where: short stacking energy: -177.161
Base-Backbone interact. energy: 1.587
local terms energy: -233.519239
where:
bonds (distance) C4'-P energy: -57.725
bonds (distance) P-C4' energy: -55.432
flat angles C4'-P-C4' energy: -54.464
flat angles P-C4'-P energy: -40.306
tors. eta vs tors. theta energy: -25.592
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: 146
Temperature: 1.300000
Total energy: -470.290912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.290912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.290912 (E_RNA)
where:
Base-Base interactions energy: -256.132
where: short stacking energy: -137.766
Base-Backbone interact. energy: 5.566
local terms energy: -219.724705
where:
bonds (distance) C4'-P energy: -53.750
bonds (distance) P-C4' energy: -57.190
flat angles C4'-P-C4' energy: -57.228
flat angles P-C4'-P energy: -34.896
tors. eta vs tors. theta energy: -16.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -294.529727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.529727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.529727 (E_RNA)
where:
Base-Base interactions energy: -88.722
where: short stacking energy: -66.011
Base-Backbone interact. energy: 2.085
local terms energy: -207.892786
where:
bonds (distance) C4'-P energy: -57.301
bonds (distance) P-C4' energy: -72.173
flat angles C4'-P-C4' energy: -60.812
flat angles P-C4'-P energy: -25.102
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: 1, replica: 1
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -1165.485838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.485838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.485838 (E_RNA)
where:
Base-Base interactions energy: -792.378
where: short stacking energy: -355.417
Base-Backbone interact. energy: -0.523
local terms energy: -372.584891
where:
bonds (distance) C4'-P energy: -63.951
bonds (distance) P-C4' energy: -75.707
flat angles C4'-P-C4' energy: -78.356
flat angles P-C4'-P energy: -50.177
tors. eta vs tors. theta energy: -104.394
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: 2, replica: 8
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -1125.740495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.740495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.740495 (E_RNA)
where:
Base-Base interactions energy: -764.316
where: short stacking energy: -348.672
Base-Backbone interact. energy: 1.225
local terms energy: -362.648929
where:
bonds (distance) C4'-P energy: -66.394
bonds (distance) P-C4' energy: -67.411
flat angles C4'-P-C4' energy: -76.878
flat angles P-C4'-P energy: -51.999
tors. eta vs tors. theta energy: -99.968
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: 10
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -1083.950518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.950518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.950518 (E_RNA)
where:
Base-Base interactions energy: -767.102
where: short stacking energy: -324.727
Base-Backbone interact. energy: 0.696
local terms energy: -317.544904
where:
bonds (distance) C4'-P energy: -56.758
bonds (distance) P-C4' energy: -56.366
flat angles C4'-P-C4' energy: -66.242
flat angles P-C4'-P energy: -40.463
tors. eta vs tors. theta energy: -97.716
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: 3
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -1002.339821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.339821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.339821 (E_RNA)
where:
Base-Base interactions energy: -681.935
where: short stacking energy: -302.869
Base-Backbone interact. energy: -0.062
local terms energy: -320.342041
where:
bonds (distance) C4'-P energy: -64.609
bonds (distance) P-C4' energy: -58.353
flat angles C4'-P-C4' energy: -69.875
flat angles P-C4'-P energy: -41.639
tors. eta vs tors. theta energy: -85.866
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: 2
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -915.355844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.355844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.355844 (E_RNA)
where:
Base-Base interactions energy: -616.396
where: short stacking energy: -296.285
Base-Backbone interact. energy: 3.199
local terms energy: -302.158957
where:
bonds (distance) C4'-P energy: -56.316
bonds (distance) P-C4' energy: -51.733
flat angles C4'-P-C4' energy: -68.324
flat angles P-C4'-P energy: -47.334
tors. eta vs tors. theta energy: -78.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -807.965541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.965541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.965541 (E_RNA)
where:
Base-Base interactions energy: -540.491
where: short stacking energy: -233.647
Base-Backbone interact. energy: 0.394
local terms energy: -267.868084
where:
bonds (distance) C4'-P energy: -55.208
bonds (distance) P-C4' energy: -56.784
flat angles C4'-P-C4' energy: -63.570
flat angles P-C4'-P energy: -39.562
tors. eta vs tors. theta energy: -52.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -784.546340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.546340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.546340 (E_RNA)
where:
Base-Base interactions energy: -500.017
where: short stacking energy: -226.236
Base-Backbone interact. energy: 0.802
local terms energy: -285.331169
where:
bonds (distance) C4'-P energy: -61.743
bonds (distance) P-C4' energy: -64.207
flat angles C4'-P-C4' energy: -63.153
flat angles P-C4'-P energy: -43.188
tors. eta vs tors. theta energy: -53.041
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: 6
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -576.551199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.551199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.551199 (E_RNA)
where:
Base-Base interactions energy: -351.553
where: short stacking energy: -155.936
Base-Backbone interact. energy: -1.048
local terms energy: -223.950090
where:
bonds (distance) C4'-P energy: -52.585
bonds (distance) P-C4' energy: -65.269
flat angles C4'-P-C4' energy: -55.783
flat angles P-C4'-P energy: -21.853
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: 9, replica: 5
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -448.761924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.761924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.761924 (E_RNA)
where:
Base-Base interactions energy: -237.083
where: short stacking energy: -140.877
Base-Backbone interact. energy: 0.945
local terms energy: -212.623771
where:
bonds (distance) C4'-P energy: -51.317
bonds (distance) P-C4' energy: -56.606
flat angles C4'-P-C4' energy: -57.382
flat angles P-C4'-P energy: -31.553
tors. eta vs tors. theta energy: -15.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -275.901563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.901563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.901563 (E_RNA)
where:
Base-Base interactions energy: -95.330
where: short stacking energy: -85.440
Base-Backbone interact. energy: -0.332
local terms energy: -180.239605
where:
bonds (distance) C4'-P energy: -56.135
bonds (distance) P-C4' energy: -64.912
flat angles C4'-P-C4' energy: -44.633
flat angles P-C4'-P energy: -13.683
tors. eta vs tors. theta energy: -0.876
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: 1
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -1154.480326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.480326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.480326 (E_RNA)
where:
Base-Base interactions energy: -777.697
where: short stacking energy: -356.524
Base-Backbone interact. energy: -0.850
local terms energy: -375.933575
where:
bonds (distance) C4'-P energy: -62.845
bonds (distance) P-C4' energy: -73.950
flat angles C4'-P-C4' energy: -79.979
flat angles P-C4'-P energy: -54.013
tors. eta vs tors. theta energy: -105.146
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: 8
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -1121.241373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.241373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.241373 (E_RNA)
where:
Base-Base interactions energy: -783.077
where: short stacking energy: -343.158
Base-Backbone interact. energy: -1.852
local terms energy: -336.312083
where:
bonds (distance) C4'-P energy: -61.434
bonds (distance) P-C4' energy: -62.103
flat angles C4'-P-C4' energy: -68.653
flat angles P-C4'-P energy: -50.007
tors. eta vs tors. theta energy: -94.114
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: 148
Temperature: 1.000000
Total energy: -1079.630188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.630188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.630188 (E_RNA)
where:
Base-Base interactions energy: -749.645
where: short stacking energy: -317.343
Base-Backbone interact. energy: -1.830
local terms energy: -328.155349
where:
bonds (distance) C4'-P energy: -61.072
bonds (distance) P-C4' energy: -61.406
flat angles C4'-P-C4' energy: -67.532
flat angles P-C4'-P energy: -49.681
tors. eta vs tors. theta energy: -88.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -967.583960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.583960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.583960 (E_RNA)
where:
Base-Base interactions energy: -642.677
where: short stacking energy: -295.565
Base-Backbone interact. energy: -0.574
local terms energy: -324.333009
where:
bonds (distance) C4'-P energy: -53.459
bonds (distance) P-C4' energy: -67.223
flat angles C4'-P-C4' energy: -70.197
flat angles P-C4'-P energy: -45.879
tors. eta vs tors. theta energy: -87.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -954.894652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.894652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.894652 (E_RNA)
where:
Base-Base interactions energy: -631.754
where: short stacking energy: -289.789
Base-Backbone interact. energy: -2.639
local terms energy: -320.502080
where:
bonds (distance) C4'-P energy: -60.292
bonds (distance) P-C4' energy: -67.727
flat angles C4'-P-C4' energy: -61.692
flat angles P-C4'-P energy: -44.111
tors. eta vs tors. theta energy: -86.679
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: 9
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -796.880402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.880402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.880402 (E_RNA)
where:
Base-Base interactions energy: -524.504
where: short stacking energy: -249.212
Base-Backbone interact. energy: -0.579
local terms energy: -271.797313
where:
bonds (distance) C4'-P energy: -52.474
bonds (distance) P-C4' energy: -61.905
flat angles C4'-P-C4' energy: -56.941
flat angles P-C4'-P energy: -43.533
tors. eta vs tors. theta energy: -56.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -828.455424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.455424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.455424 (E_RNA)
where:
Base-Base interactions energy: -556.227
where: short stacking energy: -239.615
Base-Backbone interact. energy: -0.974
local terms energy: -271.254425
where:
bonds (distance) C4'-P energy: -54.340
bonds (distance) P-C4' energy: -49.106
flat angles C4'-P-C4' energy: -63.005
flat angles P-C4'-P energy: -42.654
tors. eta vs tors. theta energy: -62.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -592.453032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.453032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.453032 (E_RNA)
where:
Base-Base interactions energy: -384.271
where: short stacking energy: -198.615
Base-Backbone interact. energy: 1.027
local terms energy: -209.209266
where:
bonds (distance) C4'-P energy: -54.605
bonds (distance) P-C4' energy: -50.125
flat angles C4'-P-C4' energy: -52.510
flat angles P-C4'-P energy: -17.344
tors. eta vs tors. theta energy: -34.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -485.612891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.612891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.612891 (E_RNA)
where:
Base-Base interactions energy: -260.945
where: short stacking energy: -138.908
Base-Backbone interact. energy: 1.984
local terms energy: -226.652150
where:
bonds (distance) C4'-P energy: -60.672
bonds (distance) P-C4' energy: -62.023
flat angles C4'-P-C4' energy: -58.532
flat angles P-C4'-P energy: -28.851
tors. eta vs tors. theta energy: -16.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -377.777702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.777702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.777702 (E_RNA)
where:
Base-Base interactions energy: -157.989
where: short stacking energy: -115.446
Base-Backbone interact. energy: 0.324
local terms energy: -220.112579
where:
bonds (distance) C4'-P energy: -57.225
bonds (distance) P-C4' energy: -60.695
flat angles C4'-P-C4' energy: -42.510
flat angles P-C4'-P energy: -35.965
tors. eta vs tors. theta energy: -23.718
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: 1, replica: 1
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -1153.532013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.532013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.532013 (E_RNA)
where:
Base-Base interactions energy: -802.808
where: short stacking energy: -364.104
Base-Backbone interact. energy: 3.358
local terms energy: -354.082765
where:
bonds (distance) C4'-P energy: -66.349
bonds (distance) P-C4' energy: -58.304
flat angles C4'-P-C4' energy: -74.417
flat angles P-C4'-P energy: -52.493
tors. eta vs tors. theta energy: -102.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -1103.517037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.517037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.517037 (E_RNA)
where:
Base-Base interactions energy: -764.429
where: short stacking energy: -323.323
Base-Backbone interact. energy: -0.774
local terms energy: -338.314312
where:
bonds (distance) C4'-P energy: -58.889
bonds (distance) P-C4' energy: -62.731
flat angles C4'-P-C4' energy: -70.170
flat angles P-C4'-P energy: -53.688
tors. eta vs tors. theta energy: -92.837
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: 3, replica: 10
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -1088.621586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.621586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.621586 (E_RNA)
where:
Base-Base interactions energy: -746.191
where: short stacking energy: -317.922
Base-Backbone interact. energy: -1.932
local terms energy: -340.498081
where:
bonds (distance) C4'-P energy: -69.074
bonds (distance) P-C4' energy: -55.438
flat angles C4'-P-C4' energy: -73.115
flat angles P-C4'-P energy: -47.099
tors. eta vs tors. theta energy: -95.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -973.115779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.115779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.115779 (E_RNA)
where:
Base-Base interactions energy: -651.951
where: short stacking energy: -272.757
Base-Backbone interact. energy: -1.728
local terms energy: -319.436791
where:
bonds (distance) C4'-P energy: -66.763
bonds (distance) P-C4' energy: -62.697
flat angles C4'-P-C4' energy: -66.036
flat angles P-C4'-P energy: -49.504
tors. eta vs tors. theta energy: -74.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -934.794023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.794023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.794023 (E_RNA)
where:
Base-Base interactions energy: -625.869
where: short stacking energy: -286.217
Base-Backbone interact. energy: -1.121
local terms energy: -307.804274
where:
bonds (distance) C4'-P energy: -58.310
bonds (distance) P-C4' energy: -62.483
flat angles C4'-P-C4' energy: -69.841
flat angles P-C4'-P energy: -40.766
tors. eta vs tors. theta energy: -76.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -884.824465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.824465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.824465 (E_RNA)
where:
Base-Base interactions energy: -577.954
where: short stacking energy: -257.764
Base-Backbone interact. energy: -1.634
local terms energy: -305.236560
where:
bonds (distance) C4'-P energy: -61.156
bonds (distance) P-C4' energy: -50.707
flat angles C4'-P-C4' energy: -70.678
flat angles P-C4'-P energy: -51.879
tors. eta vs tors. theta energy: -70.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -767.362810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.362810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.362810 (E_RNA)
where:
Base-Base interactions energy: -497.183
where: short stacking energy: -223.639
Base-Backbone interact. energy: -1.290
local terms energy: -268.890704
where:
bonds (distance) C4'-P energy: -62.816
bonds (distance) P-C4' energy: -59.792
flat angles C4'-P-C4' energy: -55.661
flat angles P-C4'-P energy: -36.191
tors. eta vs tors. theta energy: -54.430
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: 8, replica: 6
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -631.123876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.123876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.123876 (E_RNA)
where:
Base-Base interactions energy: -399.109
where: short stacking energy: -188.240
Base-Backbone interact. energy: 2.213
local terms energy: -234.227858
where:
bonds (distance) C4'-P energy: -53.913
bonds (distance) P-C4' energy: -48.716
flat angles C4'-P-C4' energy: -57.502
flat angles P-C4'-P energy: -39.735
tors. eta vs tors. theta energy: -34.363
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: 5
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -465.185826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.185826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.185826 (E_RNA)
where:
Base-Base interactions energy: -278.546
where: short stacking energy: -145.724
Base-Backbone interact. energy: 1.146
local terms energy: -187.785865
where:
bonds (distance) C4'-P energy: -46.698
bonds (distance) P-C4' energy: -53.008
flat angles C4'-P-C4' energy: -49.977
flat angles P-C4'-P energy: -27.193
tors. eta vs tors. theta energy: -10.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -297.935472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.935472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.935472 (E_RNA)
where:
Base-Base interactions energy: -124.838
where: short stacking energy: -80.358
Base-Backbone interact. energy: -0.904
local terms energy: -172.194127
where:
bonds (distance) C4'-P energy: -55.906
bonds (distance) P-C4' energy: -56.572
flat angles C4'-P-C4' energy: -44.635
flat angles P-C4'-P energy: -35.228
tors. eta vs tors. theta energy: 20.148
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: 1, replica: 1
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -1167.213221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.213221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.213221 (E_RNA)
where:
Base-Base interactions energy: -797.201
where: short stacking energy: -363.536
Base-Backbone interact. energy: -3.475
local terms energy: -366.537334
where:
bonds (distance) C4'-P energy: -65.428
bonds (distance) P-C4' energy: -72.291
flat angles C4'-P-C4' energy: -75.420
flat angles P-C4'-P energy: -51.652
tors. eta vs tors. theta energy: -101.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -1123.422652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.422652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.422652 (E_RNA)
where:
Base-Base interactions energy: -780.023
where: short stacking energy: -344.720
Base-Backbone interact. energy: -0.100
local terms energy: -343.299734
where:
bonds (distance) C4'-P energy: -63.561
bonds (distance) P-C4' energy: -65.494
flat angles C4'-P-C4' energy: -75.274
flat angles P-C4'-P energy: -46.171
tors. eta vs tors. theta energy: -92.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -1084.509472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.509472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.509472 (E_RNA)
where:
Base-Base interactions energy: -742.013
where: short stacking energy: -338.889
Base-Backbone interact. energy: -1.655
local terms energy: -340.841318
where:
bonds (distance) C4'-P energy: -65.590
bonds (distance) P-C4' energy: -66.218
flat angles C4'-P-C4' energy: -60.136
flat angles P-C4'-P energy: -50.697
tors. eta vs tors. theta energy: -98.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -994.954843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.954843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.954843 (E_RNA)
where:
Base-Base interactions energy: -697.483
where: short stacking energy: -309.652
Base-Backbone interact. energy: 6.414
local terms energy: -303.885461
where:
bonds (distance) C4'-P energy: -60.743
bonds (distance) P-C4' energy: -55.027
flat angles C4'-P-C4' energy: -73.325
flat angles P-C4'-P energy: -35.862
tors. eta vs tors. theta energy: -78.929
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: 5, replica: 2
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -919.088826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.088826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.088826 (E_RNA)
where:
Base-Base interactions energy: -583.809
where: short stacking energy: -256.049
Base-Backbone interact. energy: -2.238
local terms energy: -333.040934
where:
bonds (distance) C4'-P energy: -64.346
bonds (distance) P-C4' energy: -72.373
flat angles C4'-P-C4' energy: -71.702
flat angles P-C4'-P energy: -45.870
tors. eta vs tors. theta energy: -78.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -862.391734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.391734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.391734 (E_RNA)
where:
Base-Base interactions energy: -584.675
where: short stacking energy: -258.746
Base-Backbone interact. energy: -1.367
local terms energy: -276.349696
where:
bonds (distance) C4'-P energy: -53.718
bonds (distance) P-C4' energy: -55.572
flat angles C4'-P-C4' energy: -61.676
flat angles P-C4'-P energy: -34.935
tors. eta vs tors. theta energy: -70.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -780.845274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.845274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.845274 (E_RNA)
where:
Base-Base interactions energy: -502.907
where: short stacking energy: -227.958
Base-Backbone interact. energy: -1.705
local terms energy: -276.233427
where:
bonds (distance) C4'-P energy: -59.574
bonds (distance) P-C4' energy: -55.542
flat angles C4'-P-C4' energy: -63.931
flat angles P-C4'-P energy: -46.096
tors. eta vs tors. theta energy: -51.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -632.110895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.110895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.110895 (E_RNA)
where:
Base-Base interactions energy: -370.146
where: short stacking energy: -190.158
Base-Backbone interact. energy: 0.809
local terms energy: -262.773559
where:
bonds (distance) C4'-P energy: -61.522
bonds (distance) P-C4' energy: -55.510
flat angles C4'-P-C4' energy: -67.424
flat angles P-C4'-P energy: -45.621
tors. eta vs tors. theta energy: -32.697
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: 150
Temperature: 1.300000
Total energy: -436.439693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.439693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.439693 (E_RNA)
where:
Base-Base interactions energy: -243.220
where: short stacking energy: -131.830
Base-Backbone interact. energy: -1.194
local terms energy: -192.026108
where:
bonds (distance) C4'-P energy: -55.589
bonds (distance) P-C4' energy: -58.346
flat angles C4'-P-C4' energy: -54.163
flat angles P-C4'-P energy: -22.636
tors. eta vs tors. theta energy: -1.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -286.367877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.367877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.367877 (E_RNA)
where:
Base-Base interactions energy: -108.981
where: short stacking energy: -72.628
Base-Backbone interact. energy: -1.732
local terms energy: -175.654896
where:
bonds (distance) C4'-P energy: -62.281
bonds (distance) P-C4' energy: -59.984
flat angles C4'-P-C4' energy: -50.307
flat angles P-C4'-P energy: -19.496
tors. eta vs tors. theta energy: 16.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -1154.377401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.377401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.377401 (E_RNA)
where:
Base-Base interactions energy: -790.926
where: short stacking energy: -354.272
Base-Backbone interact. energy: -1.708
local terms energy: -361.742924
where:
bonds (distance) C4'-P energy: -70.269
bonds (distance) P-C4' energy: -63.912
flat angles C4'-P-C4' energy: -76.421
flat angles P-C4'-P energy: -52.375
tors. eta vs tors. theta energy: -98.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -1119.122178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.122178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.122178 (E_RNA)
where:
Base-Base interactions energy: -785.104
where: short stacking energy: -353.575
Base-Backbone interact. energy: -1.496
local terms energy: -332.521848
where:
bonds (distance) C4'-P energy: -67.410
bonds (distance) P-C4' energy: -53.741
flat angles C4'-P-C4' energy: -69.802
flat angles P-C4'-P energy: -46.928
tors. eta vs tors. theta energy: -94.641
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: 3, replica: 10
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -1101.732399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.732399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.732399 (E_RNA)
where:
Base-Base interactions energy: -772.606
where: short stacking energy: -348.666
Base-Backbone interact. energy: -0.520
local terms energy: -328.605528
where:
bonds (distance) C4'-P energy: -50.373
bonds (distance) P-C4' energy: -60.033
flat angles C4'-P-C4' energy: -69.961
flat angles P-C4'-P energy: -45.953
tors. eta vs tors. theta energy: -102.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -1016.248449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.248449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.248449 (E_RNA)
where:
Base-Base interactions energy: -697.412
where: short stacking energy: -312.756
Base-Backbone interact. energy: 0.382
local terms energy: -319.219174
where:
bonds (distance) C4'-P energy: -58.949
bonds (distance) P-C4' energy: -59.974
flat angles C4'-P-C4' energy: -73.487
flat angles P-C4'-P energy: -44.868
tors. eta vs tors. theta energy: -81.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -922.775380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.775380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.775380 (E_RNA)
where:
Base-Base interactions energy: -635.267
where: short stacking energy: -285.814
Base-Backbone interact. energy: -0.024
local terms energy: -287.484968
where:
bonds (distance) C4'-P energy: -57.676
bonds (distance) P-C4' energy: -67.214
flat angles C4'-P-C4' energy: -57.806
flat angles P-C4'-P energy: -32.283
tors. eta vs tors. theta energy: -72.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -898.688321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.688321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.688321 (E_RNA)
where:
Base-Base interactions energy: -608.167
where: short stacking energy: -251.720
Base-Backbone interact. energy: -1.449
local terms energy: -289.072952
where:
bonds (distance) C4'-P energy: -64.050
bonds (distance) P-C4' energy: -56.870
flat angles C4'-P-C4' energy: -63.866
flat angles P-C4'-P energy: -34.310
tors. eta vs tors. theta energy: -69.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -806.709408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.709408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.709408 (E_RNA)
where:
Base-Base interactions energy: -528.007
where: short stacking energy: -243.915
Base-Backbone interact. energy: 2.561
local terms energy: -281.263348
where:
bonds (distance) C4'-P energy: -59.012
bonds (distance) P-C4' energy: -62.847
flat angles C4'-P-C4' energy: -58.481
flat angles P-C4'-P energy: -39.866
tors. eta vs tors. theta energy: -61.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -635.355113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.355113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.355113 (E_RNA)
where:
Base-Base interactions energy: -403.814
where: short stacking energy: -201.122
Base-Backbone interact. energy: 0.684
local terms energy: -232.225135
where:
bonds (distance) C4'-P energy: -56.253
bonds (distance) P-C4' energy: -57.432
flat angles C4'-P-C4' energy: -55.232
flat angles P-C4'-P energy: -24.349
tors. eta vs tors. theta energy: -38.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -459.127891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.127891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.127891 (E_RNA)
where:
Base-Base interactions energy: -230.346
where: short stacking energy: -133.401
Base-Backbone interact. energy: -0.542
local terms energy: -228.239840
where:
bonds (distance) C4'-P energy: -56.430
bonds (distance) P-C4' energy: -53.170
flat angles C4'-P-C4' energy: -61.596
flat angles P-C4'-P energy: -30.443
tors. eta vs tors. theta energy: -26.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -299.031867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.031867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.031867 (E_RNA)
where:
Base-Base interactions energy: -109.047
where: short stacking energy: -106.264
Base-Backbone interact. energy: -1.187
local terms energy: -188.798017
where:
bonds (distance) C4'-P energy: -46.889
bonds (distance) P-C4' energy: -64.382
flat angles C4'-P-C4' energy: -52.416
flat angles P-C4'-P energy: -37.082
tors. eta vs tors. theta energy: 11.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -1163.191083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.191083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.191083 (E_RNA)
where:
Base-Base interactions energy: -781.283
where: short stacking energy: -344.746
Base-Backbone interact. energy: -4.032
local terms energy: -377.876302
where:
bonds (distance) C4'-P energy: -72.068
bonds (distance) P-C4' energy: -68.971
flat angles C4'-P-C4' energy: -80.428
flat angles P-C4'-P energy: -53.914
tors. eta vs tors. theta energy: -102.496
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: 2, replica: 8
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -1127.400371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.400371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.400371 (E_RNA)
where:
Base-Base interactions energy: -775.439
where: short stacking energy: -351.045
Base-Backbone interact. energy: -1.533
local terms energy: -350.427984
where:
bonds (distance) C4'-P energy: -74.502
bonds (distance) P-C4' energy: -63.928
flat angles C4'-P-C4' energy: -64.080
flat angles P-C4'-P energy: -45.930
tors. eta vs tors. theta energy: -101.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -1134.271121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.271121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.271121 (E_RNA)
where:
Base-Base interactions energy: -780.939
where: short stacking energy: -328.121
Base-Backbone interact. energy: -1.916
local terms energy: -351.416129
where:
bonds (distance) C4'-P energy: -58.165
bonds (distance) P-C4' energy: -68.395
flat angles C4'-P-C4' energy: -68.246
flat angles P-C4'-P energy: -59.580
tors. eta vs tors. theta energy: -97.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -1005.959205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.959205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.959205 (E_RNA)
where:
Base-Base interactions energy: -697.223
where: short stacking energy: -303.510
Base-Backbone interact. energy: 1.368
local terms energy: -310.105068
where:
bonds (distance) C4'-P energy: -49.684
bonds (distance) P-C4' energy: -57.641
flat angles C4'-P-C4' energy: -68.391
flat angles P-C4'-P energy: -46.683
tors. eta vs tors. theta energy: -87.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -931.791387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.791387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.791387 (E_RNA)
where:
Base-Base interactions energy: -629.943
where: short stacking energy: -292.944
Base-Backbone interact. energy: -0.635
local terms energy: -301.212804
where:
bonds (distance) C4'-P energy: -55.868
bonds (distance) P-C4' energy: -69.102
flat angles C4'-P-C4' energy: -58.036
flat angles P-C4'-P energy: -38.394
tors. eta vs tors. theta energy: -79.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -862.188556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.188556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.188556 (E_RNA)
where:
Base-Base interactions energy: -570.889
where: short stacking energy: -259.241
Base-Backbone interact. energy: 1.505
local terms energy: -292.805054
where:
bonds (distance) C4'-P energy: -58.732
bonds (distance) P-C4' energy: -60.795
flat angles C4'-P-C4' energy: -64.044
flat angles P-C4'-P energy: -42.802
tors. eta vs tors. theta energy: -66.432
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: 9
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -797.561729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.561729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.561729 (E_RNA)
where:
Base-Base interactions energy: -517.620
where: short stacking energy: -224.121
Base-Backbone interact. energy: 1.898
local terms energy: -281.839607
where:
bonds (distance) C4'-P energy: -62.354
bonds (distance) P-C4' energy: -62.390
flat angles C4'-P-C4' energy: -60.811
flat angles P-C4'-P energy: -41.859
tors. eta vs tors. theta energy: -54.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -618.424700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.424700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.424700 (E_RNA)
where:
Base-Base interactions energy: -375.048
where: short stacking energy: -194.290
Base-Backbone interact. energy: -0.108
local terms energy: -243.268333
where:
bonds (distance) C4'-P energy: -52.324
bonds (distance) P-C4' energy: -56.508
flat angles C4'-P-C4' energy: -56.373
flat angles P-C4'-P energy: -35.456
tors. eta vs tors. theta energy: -42.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -474.063399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.063399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.063399 (E_RNA)
where:
Base-Base interactions energy: -247.747
where: short stacking energy: -140.808
Base-Backbone interact. energy: 0.408
local terms energy: -226.724078
where:
bonds (distance) C4'-P energy: -65.898
bonds (distance) P-C4' energy: -53.958
flat angles C4'-P-C4' energy: -53.920
flat angles P-C4'-P energy: -29.859
tors. eta vs tors. theta energy: -23.089
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: 7
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -289.564898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.564898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.564898 (E_RNA)
where:
Base-Base interactions energy: -115.617
where: short stacking energy: -100.857
Base-Backbone interact. energy: 1.037
local terms energy: -174.985131
where:
bonds (distance) C4'-P energy: -49.710
bonds (distance) P-C4' energy: -64.122
flat angles C4'-P-C4' energy: -40.425
flat angles P-C4'-P energy: -25.947
tors. eta vs tors. theta energy: 5.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -1150.229950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.229950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.229950 (E_RNA)
where:
Base-Base interactions energy: -792.771
where: short stacking energy: -347.127
Base-Backbone interact. energy: 4.116
local terms energy: -361.575048
where:
bonds (distance) C4'-P energy: -71.080
bonds (distance) P-C4' energy: -60.678
flat angles C4'-P-C4' energy: -78.871
flat angles P-C4'-P energy: -50.582
tors. eta vs tors. theta energy: -100.364
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: 8
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -1116.160194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.160194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.160194 (E_RNA)
where:
Base-Base interactions energy: -771.706
where: short stacking energy: -347.916
Base-Backbone interact. energy: -0.751
local terms energy: -343.703550
where:
bonds (distance) C4'-P energy: -62.059
bonds (distance) P-C4' energy: -64.271
flat angles C4'-P-C4' energy: -72.766
flat angles P-C4'-P energy: -49.715
tors. eta vs tors. theta energy: -94.893
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: 153
Temperature: 1.000000
Total energy: -1065.844573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.844573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.844573 (E_RNA)
where:
Base-Base interactions energy: -717.330
where: short stacking energy: -316.250
Base-Backbone interact. energy: -0.987
local terms energy: -347.527992
where:
bonds (distance) C4'-P energy: -64.260
bonds (distance) P-C4' energy: -70.530
flat angles C4'-P-C4' energy: -79.707
flat angles P-C4'-P energy: -48.147
tors. eta vs tors. theta energy: -84.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -944.319041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.319041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.319041 (E_RNA)
where:
Base-Base interactions energy: -623.229
where: short stacking energy: -275.557
Base-Backbone interact. energy: -3.939
local terms energy: -317.151922
where:
bonds (distance) C4'-P energy: -63.232
bonds (distance) P-C4' energy: -62.182
flat angles C4'-P-C4' energy: -62.554
flat angles P-C4'-P energy: -44.647
tors. eta vs tors. theta energy: -84.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -980.643444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.643444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.643444 (E_RNA)
where:
Base-Base interactions energy: -652.188
where: short stacking energy: -313.893
Base-Backbone interact. energy: 0.550
local terms energy: -329.006104
where:
bonds (distance) C4'-P energy: -58.998
bonds (distance) P-C4' energy: -57.968
flat angles C4'-P-C4' energy: -71.302
flat angles P-C4'-P energy: -46.880
tors. eta vs tors. theta energy: -93.858
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: 4
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -864.192731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.192731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.192731 (E_RNA)
where:
Base-Base interactions energy: -594.661
where: short stacking energy: -260.892
Base-Backbone interact. energy: 1.768
local terms energy: -271.299486
where:
bonds (distance) C4'-P energy: -54.318
bonds (distance) P-C4' energy: -55.538
flat angles C4'-P-C4' energy: -62.304
flat angles P-C4'-P energy: -41.122
tors. eta vs tors. theta energy: -58.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -750.393728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.393728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.393728 (E_RNA)
where:
Base-Base interactions energy: -487.923
where: short stacking energy: -199.700
Base-Backbone interact. energy: -0.266
local terms energy: -262.204060
where:
bonds (distance) C4'-P energy: -59.518
bonds (distance) P-C4' energy: -62.405
flat angles C4'-P-C4' energy: -55.633
flat angles P-C4'-P energy: -31.866
tors. eta vs tors. theta energy: -52.783
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: 8, replica: 6
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -613.369581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.369581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.369581 (E_RNA)
where:
Base-Base interactions energy: -403.176
where: short stacking energy: -181.334
Base-Backbone interact. energy: -0.333
local terms energy: -209.860901
where:
bonds (distance) C4'-P energy: -44.907
bonds (distance) P-C4' energy: -60.818
flat angles C4'-P-C4' energy: -56.581
flat angles P-C4'-P energy: -11.943
tors. eta vs tors. theta energy: -35.612
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: 9, replica: 5
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -448.330864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.330864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.330864 (E_RNA)
where:
Base-Base interactions energy: -218.887
where: short stacking energy: -122.700
Base-Backbone interact. energy: -2.525
local terms energy: -226.918657
where:
bonds (distance) C4'-P energy: -66.842
bonds (distance) P-C4' energy: -65.413
flat angles C4'-P-C4' energy: -43.296
flat angles P-C4'-P energy: -39.586
tors. eta vs tors. theta energy: -11.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -276.324570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.324570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.324570 (E_RNA)
where:
Base-Base interactions energy: -85.985
where: short stacking energy: -83.515
Base-Backbone interact. energy: 0.875
local terms energy: -191.214288
where:
bonds (distance) C4'-P energy: -58.700
bonds (distance) P-C4' energy: -64.333
flat angles C4'-P-C4' energy: -47.675
flat angles P-C4'-P energy: -23.101
tors. eta vs tors. theta energy: 2.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -1142.230956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.230956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.230956 (E_RNA)
where:
Base-Base interactions energy: -791.361
where: short stacking energy: -336.909
Base-Backbone interact. energy: -2.089
local terms energy: -348.780703
where:
bonds (distance) C4'-P energy: -59.281
bonds (distance) P-C4' energy: -67.391
flat angles C4'-P-C4' energy: -74.449
flat angles P-C4'-P energy: -53.375
tors. eta vs tors. theta energy: -94.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -1119.550176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.550176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.550176 (E_RNA)
where:
Base-Base interactions energy: -773.271
where: short stacking energy: -335.240
Base-Backbone interact. energy: -2.812
local terms energy: -343.466279
where:
bonds (distance) C4'-P energy: -64.231
bonds (distance) P-C4' energy: -64.030
flat angles C4'-P-C4' energy: -73.069
flat angles P-C4'-P energy: -48.897
tors. eta vs tors. theta energy: -93.239
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: 154
Temperature: 1.000000
Total energy: -1098.496763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.496763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.496763 (E_RNA)
where:
Base-Base interactions energy: -747.485
where: short stacking energy: -322.232
Base-Backbone interact. energy: -0.934
local terms energy: -350.077684
where:
bonds (distance) C4'-P energy: -64.411
bonds (distance) P-C4' energy: -63.788
flat angles C4'-P-C4' energy: -75.923
flat angles P-C4'-P energy: -52.282
tors. eta vs tors. theta energy: -93.675
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: 154
Temperature: 1.050000
Total energy: -954.221303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.221303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.221303 (E_RNA)
where:
Base-Base interactions energy: -642.267
where: short stacking energy: -297.645
Base-Backbone interact. energy: -1.820
local terms energy: -310.134620
where:
bonds (distance) C4'-P energy: -58.360
bonds (distance) P-C4' energy: -60.589
flat angles C4'-P-C4' energy: -69.970
flat angles P-C4'-P energy: -48.963
tors. eta vs tors. theta energy: -72.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -954.937150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.937150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.937150 (E_RNA)
where:
Base-Base interactions energy: -655.204
where: short stacking energy: -274.996
Base-Backbone interact. energy: -2.050
local terms energy: -297.683621
where:
bonds (distance) C4'-P energy: -62.491
bonds (distance) P-C4' energy: -56.830
flat angles C4'-P-C4' energy: -70.726
flat angles P-C4'-P energy: -35.774
tors. eta vs tors. theta energy: -71.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -876.365596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.365596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.365596 (E_RNA)
where:
Base-Base interactions energy: -577.674
where: short stacking energy: -269.895
Base-Backbone interact. energy: 0.314
local terms energy: -299.005597
where:
bonds (distance) C4'-P energy: -60.929
bonds (distance) P-C4' energy: -62.941
flat angles C4'-P-C4' energy: -67.277
flat angles P-C4'-P energy: -37.057
tors. eta vs tors. theta energy: -70.803
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: 9
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -746.322410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.322410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.322410 (E_RNA)
where:
Base-Base interactions energy: -480.379
where: short stacking energy: -217.115
Base-Backbone interact. energy: -1.029
local terms energy: -264.913709
where:
bonds (distance) C4'-P energy: -52.186
bonds (distance) P-C4' energy: -67.753
flat angles C4'-P-C4' energy: -55.193
flat angles P-C4'-P energy: -41.660
tors. eta vs tors. theta energy: -48.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -642.361861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.361861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.361861 (E_RNA)
where:
Base-Base interactions energy: -398.641
where: short stacking energy: -182.110
Base-Backbone interact. energy: 4.509
local terms energy: -248.229603
where:
bonds (distance) C4'-P energy: -62.855
bonds (distance) P-C4' energy: -64.416
flat angles C4'-P-C4' energy: -50.524
flat angles P-C4'-P energy: -33.867
tors. eta vs tors. theta energy: -36.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -424.521994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.521994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.521994 (E_RNA)
where:
Base-Base interactions energy: -222.188
where: short stacking energy: -115.431
Base-Backbone interact. energy: 5.304
local terms energy: -207.637877
where:
bonds (distance) C4'-P energy: -47.495
bonds (distance) P-C4' energy: -68.753
flat angles C4'-P-C4' energy: -54.380
flat angles P-C4'-P energy: -27.763
tors. eta vs tors. theta energy: -9.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -261.851114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.851114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.851114 (E_RNA)
where:
Base-Base interactions energy: -91.111
where: short stacking energy: -81.796
Base-Backbone interact. energy: 0.154
local terms energy: -170.893966
where:
bonds (distance) C4'-P energy: -56.259
bonds (distance) P-C4' energy: -57.212
flat angles C4'-P-C4' energy: -43.083
flat angles P-C4'-P energy: -18.980
tors. eta vs tors. theta energy: 4.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -1141.449313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.449313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.449313 (E_RNA)
where:
Base-Base interactions energy: -784.607
where: short stacking energy: -332.582
Base-Backbone interact. energy: 0.742
local terms energy: -357.583986
where:
bonds (distance) C4'-P energy: -64.555
bonds (distance) P-C4' energy: -71.851
flat angles C4'-P-C4' energy: -70.335
flat angles P-C4'-P energy: -55.405
tors. eta vs tors. theta energy: -95.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -1115.749398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.749398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.749398 (E_RNA)
where:
Base-Base interactions energy: -768.495
where: short stacking energy: -347.693
Base-Backbone interact. energy: -1.779
local terms energy: -345.475302
where:
bonds (distance) C4'-P energy: -63.465
bonds (distance) P-C4' energy: -70.261
flat angles C4'-P-C4' energy: -63.989
flat angles P-C4'-P energy: -56.538
tors. eta vs tors. theta energy: -91.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -1089.695161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.695161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.695161 (E_RNA)
where:
Base-Base interactions energy: -766.641
where: short stacking energy: -312.788
Base-Backbone interact. energy: -3.174
local terms energy: -319.880092
where:
bonds (distance) C4'-P energy: -65.012
bonds (distance) P-C4' energy: -53.589
flat angles C4'-P-C4' energy: -68.439
flat angles P-C4'-P energy: -43.510
tors. eta vs tors. theta energy: -89.330
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: 3
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -998.382011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.382011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.382011 (E_RNA)
where:
Base-Base interactions energy: -683.490
where: short stacking energy: -283.089
Base-Backbone interact. energy: -1.716
local terms energy: -313.175657
where:
bonds (distance) C4'-P energy: -63.371
bonds (distance) P-C4' energy: -52.050
flat angles C4'-P-C4' energy: -65.376
flat angles P-C4'-P energy: -45.847
tors. eta vs tors. theta energy: -86.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -922.449038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.449038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.449038 (E_RNA)
where:
Base-Base interactions energy: -620.089
where: short stacking energy: -276.320
Base-Backbone interact. energy: -0.881
local terms energy: -301.479157
where:
bonds (distance) C4'-P energy: -57.686
bonds (distance) P-C4' energy: -61.890
flat angles C4'-P-C4' energy: -68.512
flat angles P-C4'-P energy: -30.833
tors. eta vs tors. theta energy: -82.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -854.905495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.905495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.905495 (E_RNA)
where:
Base-Base interactions energy: -564.450
where: short stacking energy: -259.664
Base-Backbone interact. energy: -2.071
local terms energy: -288.384438
where:
bonds (distance) C4'-P energy: -60.770
bonds (distance) P-C4' energy: -64.745
flat angles C4'-P-C4' energy: -57.656
flat angles P-C4'-P energy: -37.681
tors. eta vs tors. theta energy: -67.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -752.863865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.863865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.863865 (E_RNA)
where:
Base-Base interactions energy: -480.692
where: short stacking energy: -232.106
Base-Backbone interact. energy: -0.876
local terms energy: -271.295868
where:
bonds (distance) C4'-P energy: -51.665
bonds (distance) P-C4' energy: -65.608
flat angles C4'-P-C4' energy: -64.313
flat angles P-C4'-P energy: -38.039
tors. eta vs tors. theta energy: -51.670
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: 6
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -666.956903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.956903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.956903 (E_RNA)
where:
Base-Base interactions energy: -413.170
where: short stacking energy: -183.311
Base-Backbone interact. energy: 1.853
local terms energy: -255.639525
where:
bonds (distance) C4'-P energy: -58.434
bonds (distance) P-C4' energy: -59.496
flat angles C4'-P-C4' energy: -57.103
flat angles P-C4'-P energy: -36.024
tors. eta vs tors. theta energy: -44.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -468.145349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.145349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.145349 (E_RNA)
where:
Base-Base interactions energy: -255.418
where: short stacking energy: -145.466
Base-Backbone interact. energy: -0.206
local terms energy: -212.520935
where:
bonds (distance) C4'-P energy: -39.979
bonds (distance) P-C4' energy: -62.500
flat angles C4'-P-C4' energy: -58.689
flat angles P-C4'-P energy: -29.235
tors. eta vs tors. theta energy: -22.118
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: 10, replica: 7
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -291.209452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.209452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.209452 (E_RNA)
where:
Base-Base interactions energy: -100.600
where: short stacking energy: -92.617
Base-Backbone interact. energy: 1.619
local terms energy: -192.228908
where:
bonds (distance) C4'-P energy: -50.309
bonds (distance) P-C4' energy: -53.569
flat angles C4'-P-C4' energy: -56.485
flat angles P-C4'-P energy: -39.279
tors. eta vs tors. theta energy: 7.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -1139.078956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.078956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.078956 (E_RNA)
where:
Base-Base interactions energy: -780.377
where: short stacking energy: -344.302
Base-Backbone interact. energy: -2.898
local terms energy: -355.804207
where:
bonds (distance) C4'-P energy: -67.797
bonds (distance) P-C4' energy: -69.736
flat angles C4'-P-C4' energy: -76.654
flat angles P-C4'-P energy: -47.183
tors. eta vs tors. theta energy: -94.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -1097.845053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.845053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.845053 (E_RNA)
where:
Base-Base interactions energy: -757.593
where: short stacking energy: -336.311
Base-Backbone interact. energy: -1.496
local terms energy: -338.755781
where:
bonds (distance) C4'-P energy: -62.198
bonds (distance) P-C4' energy: -62.262
flat angles C4'-P-C4' energy: -69.603
flat angles P-C4'-P energy: -50.335
tors. eta vs tors. theta energy: -94.358
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: 10
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -1110.934670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.934670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.934670 (E_RNA)
where:
Base-Base interactions energy: -769.256
where: short stacking energy: -328.329
Base-Backbone interact. energy: -1.005
local terms energy: -340.673225
where:
bonds (distance) C4'-P energy: -53.435
bonds (distance) P-C4' energy: -67.436
flat angles C4'-P-C4' energy: -73.268
flat angles P-C4'-P energy: -50.818
tors. eta vs tors. theta energy: -95.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -978.630449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.630449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.630449 (E_RNA)
where:
Base-Base interactions energy: -651.679
where: short stacking energy: -304.965
Base-Backbone interact. energy: -0.710
local terms energy: -326.241893
where:
bonds (distance) C4'-P energy: -62.334
bonds (distance) P-C4' energy: -52.649
flat angles C4'-P-C4' energy: -72.322
flat angles P-C4'-P energy: -48.794
tors. eta vs tors. theta energy: -90.144
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: 2
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -982.868323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.868323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.868323 (E_RNA)
where:
Base-Base interactions energy: -652.612
where: short stacking energy: -301.286
Base-Backbone interact. energy: -1.061
local terms energy: -329.195541
where:
bonds (distance) C4'-P energy: -57.476
bonds (distance) P-C4' energy: -66.683
flat angles C4'-P-C4' energy: -71.187
flat angles P-C4'-P energy: -48.720
tors. eta vs tors. theta energy: -85.129
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: 4
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -842.123692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.123692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.123692 (E_RNA)
where:
Base-Base interactions energy: -558.045
where: short stacking energy: -241.997
Base-Backbone interact. energy: -0.426
local terms energy: -283.652983
where:
bonds (distance) C4'-P energy: -48.527
bonds (distance) P-C4' energy: -58.627
flat angles C4'-P-C4' energy: -62.970
flat angles P-C4'-P energy: -46.479
tors. eta vs tors. theta energy: -67.050
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: 9
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -777.285894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.285894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.285894 (E_RNA)
where:
Base-Base interactions energy: -499.415
where: short stacking energy: -226.607
Base-Backbone interact. energy: -0.554
local terms energy: -277.316825
where:
bonds (distance) C4'-P energy: -62.859
bonds (distance) P-C4' energy: -50.255
flat angles C4'-P-C4' energy: -62.200
flat angles P-C4'-P energy: -35.883
tors. eta vs tors. theta energy: -66.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -672.386707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.386707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.386707 (E_RNA)
where:
Base-Base interactions energy: -423.624
where: short stacking energy: -203.262
Base-Backbone interact. energy: -0.097
local terms energy: -248.664982
where:
bonds (distance) C4'-P energy: -51.028
bonds (distance) P-C4' energy: -64.904
flat angles C4'-P-C4' energy: -59.158
flat angles P-C4'-P energy: -30.994
tors. eta vs tors. theta energy: -42.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -417.451003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.451003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.451003 (E_RNA)
where:
Base-Base interactions energy: -179.901
where: short stacking energy: -114.106
Base-Backbone interact. energy: -2.041
local terms energy: -235.508510
where:
bonds (distance) C4'-P energy: -55.193
bonds (distance) P-C4' energy: -59.743
flat angles C4'-P-C4' energy: -61.613
flat angles P-C4'-P energy: -38.536
tors. eta vs tors. theta energy: -20.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -288.971411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.971411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.971411 (E_RNA)
where:
Base-Base interactions energy: -135.392
where: short stacking energy: -95.186
Base-Backbone interact. energy: 5.015
local terms energy: -158.594707
where:
bonds (distance) C4'-P energy: -41.699
bonds (distance) P-C4' energy: -62.011
flat angles C4'-P-C4' energy: -30.268
flat angles P-C4'-P energy: -28.453
tors. eta vs tors. theta energy: 3.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -1137.349903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.349903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.349903 (E_RNA)
where:
Base-Base interactions energy: -783.978
where: short stacking energy: -337.215
Base-Backbone interact. energy: -4.074
local terms energy: -349.298005
where:
bonds (distance) C4'-P energy: -59.236
bonds (distance) P-C4' energy: -72.905
flat angles C4'-P-C4' energy: -66.391
flat angles P-C4'-P energy: -54.128
tors. eta vs tors. theta energy: -96.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -1129.770488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.770488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.770488 (E_RNA)
where:
Base-Base interactions energy: -778.533
where: short stacking energy: -346.804
Base-Backbone interact. energy: -3.536
local terms energy: -347.701375
where:
bonds (distance) C4'-P energy: -60.130
bonds (distance) P-C4' energy: -66.427
flat angles C4'-P-C4' energy: -69.630
flat angles P-C4'-P energy: -53.603
tors. eta vs tors. theta energy: -97.911
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: 1
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -1093.030980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.030980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.030980 (E_RNA)
where:
Base-Base interactions energy: -756.213
where: short stacking energy: -321.554
Base-Backbone interact. energy: 1.440
local terms energy: -338.257628
where:
bonds (distance) C4'-P energy: -61.022
bonds (distance) P-C4' energy: -71.493
flat angles C4'-P-C4' energy: -65.272
flat angles P-C4'-P energy: -49.946
tors. eta vs tors. theta energy: -90.525
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: 2
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -1007.020172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.020172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.020172 (E_RNA)
where:
Base-Base interactions energy: -679.522
where: short stacking energy: -292.649
Base-Backbone interact. energy: -0.702
local terms energy: -326.796505
where:
bonds (distance) C4'-P energy: -66.275
bonds (distance) P-C4' energy: -62.523
flat angles C4'-P-C4' energy: -76.466
flat angles P-C4'-P energy: -39.171
tors. eta vs tors. theta energy: -82.361
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: 3
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -980.209496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.209496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.209496 (E_RNA)
where:
Base-Base interactions energy: -654.497
where: short stacking energy: -289.648
Base-Backbone interact. energy: -0.461
local terms energy: -325.251355
where:
bonds (distance) C4'-P energy: -60.756
bonds (distance) P-C4' energy: -61.714
flat angles C4'-P-C4' energy: -71.082
flat angles P-C4'-P energy: -45.151
tors. eta vs tors. theta energy: -86.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -840.998335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.998335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.998335 (E_RNA)
where:
Base-Base interactions energy: -544.750
where: short stacking energy: -234.504
Base-Backbone interact. energy: 0.541
local terms energy: -296.789207
where:
bonds (distance) C4'-P energy: -61.226
bonds (distance) P-C4' energy: -58.441
flat angles C4'-P-C4' energy: -65.038
flat angles P-C4'-P energy: -47.509
tors. eta vs tors. theta energy: -64.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -779.902915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.902915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.902915 (E_RNA)
where:
Base-Base interactions energy: -525.351
where: short stacking energy: -223.968
Base-Backbone interact. energy: 0.216
local terms energy: -254.767760
where:
bonds (distance) C4'-P energy: -39.008
bonds (distance) P-C4' energy: -55.511
flat angles C4'-P-C4' energy: -56.754
flat angles P-C4'-P energy: -44.937
tors. eta vs tors. theta energy: -58.557
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: 6
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -619.429348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.429348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.429348 (E_RNA)
where:
Base-Base interactions energy: -364.875
where: short stacking energy: -190.709
Base-Backbone interact. energy: -1.695
local terms energy: -252.859492
where:
bonds (distance) C4'-P energy: -48.622
bonds (distance) P-C4' energy: -62.532
flat angles C4'-P-C4' energy: -61.027
flat angles P-C4'-P energy: -35.100
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: 9, replica: 5
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -385.655599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.655599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.655599 (E_RNA)
where:
Base-Base interactions energy: -184.677
where: short stacking energy: -99.351
Base-Backbone interact. energy: 6.247
local terms energy: -207.225756
where:
bonds (distance) C4'-P energy: -44.969
bonds (distance) P-C4' energy: -58.038
flat angles C4'-P-C4' energy: -43.141
flat angles P-C4'-P energy: -46.588
tors. eta vs tors. theta energy: -14.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -293.954190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.954190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.954190 (E_RNA)
where:
Base-Base interactions energy: -143.035
where: short stacking energy: -86.086
Base-Backbone interact. energy: 1.092
local terms energy: -152.011236
where:
bonds (distance) C4'-P energy: -44.369
bonds (distance) P-C4' energy: -54.279
flat angles C4'-P-C4' energy: -50.706
flat angles P-C4'-P energy: -14.816
tors. eta vs tors. theta energy: 12.159
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: 10
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -1133.867025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.867025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.867025 (E_RNA)
where:
Base-Base interactions energy: -756.856
where: short stacking energy: -314.719
Base-Backbone interact. energy: -1.399
local terms energy: -375.611756
where:
bonds (distance) C4'-P energy: -70.834
bonds (distance) P-C4' energy: -69.446
flat angles C4'-P-C4' energy: -76.630
flat angles P-C4'-P energy: -57.566
tors. eta vs tors. theta energy: -101.135
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: 8
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -1111.710597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.710597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.710597 (E_RNA)
where:
Base-Base interactions energy: -762.274
where: short stacking energy: -339.273
Base-Backbone interact. energy: -2.237
local terms energy: -347.199201
where:
bonds (distance) C4'-P energy: -58.579
bonds (distance) P-C4' energy: -63.762
flat angles C4'-P-C4' energy: -75.533
flat angles P-C4'-P energy: -52.736
tors. eta vs tors. theta energy: -96.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -1103.778130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.778130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.778130 (E_RNA)
where:
Base-Base interactions energy: -770.304
where: short stacking energy: -337.452
Base-Backbone interact. energy: -0.496
local terms energy: -332.978433
where:
bonds (distance) C4'-P energy: -67.343
bonds (distance) P-C4' energy: -57.054
flat angles C4'-P-C4' energy: -65.902
flat angles P-C4'-P energy: -43.687
tors. eta vs tors. theta energy: -98.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -1014.644439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.644439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.644439 (E_RNA)
where:
Base-Base interactions energy: -706.239
where: short stacking energy: -305.808
Base-Backbone interact. energy: -0.329
local terms energy: -308.076547
where:
bonds (distance) C4'-P energy: -63.606
bonds (distance) P-C4' energy: -48.038
flat angles C4'-P-C4' energy: -67.958
flat angles P-C4'-P energy: -42.716
tors. eta vs tors. theta energy: -85.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -927.338379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.338379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.338379 (E_RNA)
where:
Base-Base interactions energy: -617.103
where: short stacking energy: -259.061
Base-Backbone interact. energy: -0.526
local terms energy: -309.709620
where:
bonds (distance) C4'-P energy: -68.208
bonds (distance) P-C4' energy: -63.961
flat angles C4'-P-C4' energy: -73.489
flat angles P-C4'-P energy: -42.806
tors. eta vs tors. theta energy: -61.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -883.316187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.316187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.316187 (E_RNA)
where:
Base-Base interactions energy: -566.426
where: short stacking energy: -264.045
Base-Backbone interact. energy: 4.589
local terms energy: -321.479871
where:
bonds (distance) C4'-P energy: -62.862
bonds (distance) P-C4' energy: -67.905
flat angles C4'-P-C4' energy: -67.818
flat angles P-C4'-P energy: -37.391
tors. eta vs tors. theta energy: -85.504
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: 7, replica: 9
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -781.627034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.627034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.627034 (E_RNA)
where:
Base-Base interactions energy: -531.907
where: short stacking energy: -248.606
Base-Backbone interact. energy: -0.353
local terms energy: -249.367178
where:
bonds (distance) C4'-P energy: -44.432
bonds (distance) P-C4' energy: -49.652
flat angles C4'-P-C4' energy: -68.126
flat angles P-C4'-P energy: -31.377
tors. eta vs tors. theta energy: -55.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -637.147826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.147826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.147826 (E_RNA)
where:
Base-Base interactions energy: -407.829
where: short stacking energy: -192.961
Base-Backbone interact. energy: -1.628
local terms energy: -227.690725
where:
bonds (distance) C4'-P energy: -60.617
bonds (distance) P-C4' energy: -56.283
flat angles C4'-P-C4' energy: -44.152
flat angles P-C4'-P energy: -32.722
tors. eta vs tors. theta energy: -33.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -307.779083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.779083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.779083 (E_RNA)
where:
Base-Base interactions energy: -116.148
where: short stacking energy: -91.960
Base-Backbone interact. energy: -0.231
local terms energy: -191.400013
where:
bonds (distance) C4'-P energy: -62.512
bonds (distance) P-C4' energy: -43.052
flat angles C4'-P-C4' energy: -41.176
flat angles P-C4'-P energy: -35.939
tors. eta vs tors. theta energy: -8.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -370.061368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.061368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.061368 (E_RNA)
where:
Base-Base interactions energy: -188.343
where: short stacking energy: -118.580
Base-Backbone interact. energy: -0.533
local terms energy: -181.184932
where:
bonds (distance) C4'-P energy: -40.034
bonds (distance) P-C4' energy: -63.108
flat angles C4'-P-C4' energy: -42.989
flat angles P-C4'-P energy: -35.488
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: 10
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -1142.683019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.683019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.683019 (E_RNA)
where:
Base-Base interactions energy: -795.332
where: short stacking energy: -345.000
Base-Backbone interact. energy: -0.777
local terms energy: -346.573418
where:
bonds (distance) C4'-P energy: -61.331
bonds (distance) P-C4' energy: -70.151
flat angles C4'-P-C4' energy: -74.899
flat angles P-C4'-P energy: -49.660
tors. eta vs tors. theta energy: -90.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -1084.121104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.121104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.121104 (E_RNA)
where:
Base-Base interactions energy: -741.297
where: short stacking energy: -320.660
Base-Backbone interact. energy: -0.484
local terms energy: -342.340421
where:
bonds (distance) C4'-P energy: -64.740
bonds (distance) P-C4' energy: -64.756
flat angles C4'-P-C4' energy: -74.117
flat angles P-C4'-P energy: -48.693
tors. eta vs tors. theta energy: -90.035
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: 1
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -1088.073110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.073110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.073110 (E_RNA)
where:
Base-Base interactions energy: -746.076
where: short stacking energy: -334.335
Base-Backbone interact. energy: -1.376
local terms energy: -340.621548
where:
bonds (distance) C4'-P energy: -62.647
bonds (distance) P-C4' energy: -54.941
flat angles C4'-P-C4' energy: -72.974
flat angles P-C4'-P energy: -51.200
tors. eta vs tors. theta energy: -98.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -1022.424251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.424251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.424251 (E_RNA)
where:
Base-Base interactions energy: -702.787
where: short stacking energy: -326.702
Base-Backbone interact. energy: -0.237
local terms energy: -319.400389
where:
bonds (distance) C4'-P energy: -55.468
bonds (distance) P-C4' energy: -60.613
flat angles C4'-P-C4' energy: -61.578
flat angles P-C4'-P energy: -43.591
tors. eta vs tors. theta energy: -98.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -932.563298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.563298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.563298 (E_RNA)
where:
Base-Base interactions energy: -630.372
where: short stacking energy: -266.210
Base-Backbone interact. energy: -2.360
local terms energy: -299.831499
where:
bonds (distance) C4'-P energy: -59.396
bonds (distance) P-C4' energy: -64.311
flat angles C4'-P-C4' energy: -65.280
flat angles P-C4'-P energy: -48.297
tors. eta vs tors. theta energy: -62.547
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: 4
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -909.130763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.130763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.130763 (E_RNA)
where:
Base-Base interactions energy: -613.589
where: short stacking energy: -270.785
Base-Backbone interact. energy: -0.901
local terms energy: -294.640463
where:
bonds (distance) C4'-P energy: -62.843
bonds (distance) P-C4' energy: -46.817
flat angles C4'-P-C4' energy: -72.890
flat angles P-C4'-P energy: -44.604
tors. eta vs tors. theta energy: -67.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -798.209701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.209701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.209701 (E_RNA)
where:
Base-Base interactions energy: -527.983
where: short stacking energy: -225.462
Base-Backbone interact. energy: -1.831
local terms energy: -268.395731
where:
bonds (distance) C4'-P energy: -46.947
bonds (distance) P-C4' energy: -56.670
flat angles C4'-P-C4' energy: -59.381
flat angles P-C4'-P energy: -48.265
tors. eta vs tors. theta energy: -57.133
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: 6
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -636.296658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.296658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.296658 (E_RNA)
where:
Base-Base interactions energy: -396.166
where: short stacking energy: -186.435
Base-Backbone interact. energy: -1.294
local terms energy: -238.836836
where:
bonds (distance) C4'-P energy: -52.565
bonds (distance) P-C4' energy: -51.939
flat angles C4'-P-C4' energy: -60.913
flat angles P-C4'-P energy: -32.470
tors. eta vs tors. theta energy: -40.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -298.854766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.854766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.854766 (E_RNA)
where:
Base-Base interactions energy: -116.705
where: short stacking energy: -56.864
Base-Backbone interact. energy: -2.446
local terms energy: -179.703795
where:
bonds (distance) C4'-P energy: -63.190
bonds (distance) P-C4' energy: -55.857
flat angles C4'-P-C4' energy: -48.261
flat angles P-C4'-P energy: -29.104
tors. eta vs tors. theta energy: 16.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -378.240546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.240546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.240546 (E_RNA)
where:
Base-Base interactions energy: -181.925
where: short stacking energy: -106.511
Base-Backbone interact. energy: 1.118
local terms energy: -197.433212
where:
bonds (distance) C4'-P energy: -57.766
bonds (distance) P-C4' energy: -53.481
flat angles C4'-P-C4' energy: -57.358
flat angles P-C4'-P energy: -29.794
tors. eta vs tors. theta energy: 0.966
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: 10
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -1123.777941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.777941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.777941 (E_RNA)
where:
Base-Base interactions energy: -771.102
where: short stacking energy: -350.330
Base-Backbone interact. energy: -1.232
local terms energy: -351.443480
where:
bonds (distance) C4'-P energy: -59.612
bonds (distance) P-C4' energy: -70.859
flat angles C4'-P-C4' energy: -75.259
flat angles P-C4'-P energy: -44.121
tors. eta vs tors. theta energy: -101.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -1091.331031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.331031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.331031 (E_RNA)
where:
Base-Base interactions energy: -731.203
where: short stacking energy: -319.692
Base-Backbone interact. energy: -0.277
local terms energy: -359.851063
where:
bonds (distance) C4'-P energy: -68.239
bonds (distance) P-C4' energy: -71.650
flat angles C4'-P-C4' energy: -69.487
flat angles P-C4'-P energy: -56.283
tors. eta vs tors. theta energy: -94.191
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: 1
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -1100.466225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.466225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.466225 (E_RNA)
where:
Base-Base interactions energy: -763.710
where: short stacking energy: -321.318
Base-Backbone interact. energy: -1.428
local terms energy: -335.329055
where:
bonds (distance) C4'-P energy: -59.036
bonds (distance) P-C4' energy: -57.139
flat angles C4'-P-C4' energy: -78.268
flat angles P-C4'-P energy: -46.754
tors. eta vs tors. theta energy: -94.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -1007.671875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.671875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.671875 (E_RNA)
where:
Base-Base interactions energy: -698.635
where: short stacking energy: -289.104
Base-Backbone interact. energy: -0.407
local terms energy: -308.630375
where:
bonds (distance) C4'-P energy: -51.842
bonds (distance) P-C4' energy: -51.710
flat angles C4'-P-C4' energy: -68.721
flat angles P-C4'-P energy: -51.314
tors. eta vs tors. theta energy: -85.044
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: 3
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -917.914234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.914234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.914234 (E_RNA)
where:
Base-Base interactions energy: -613.166
where: short stacking energy: -278.969
Base-Backbone interact. energy: -0.633
local terms energy: -304.115242
where:
bonds (distance) C4'-P energy: -51.002
bonds (distance) P-C4' energy: -64.043
flat angles C4'-P-C4' energy: -68.031
flat angles P-C4'-P energy: -47.328
tors. eta vs tors. theta energy: -73.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -880.794488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.794488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.794488 (E_RNA)
where:
Base-Base interactions energy: -578.654
where: short stacking energy: -259.475
Base-Backbone interact. energy: -1.077
local terms energy: -301.063173
where:
bonds (distance) C4'-P energy: -68.149
bonds (distance) P-C4' energy: -66.812
flat angles C4'-P-C4' energy: -64.523
flat angles P-C4'-P energy: -36.230
tors. eta vs tors. theta energy: -65.348
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: 9
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -822.039808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.039808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.039808 (E_RNA)
where:
Base-Base interactions energy: -541.881
where: short stacking energy: -241.925
Base-Backbone interact. energy: -1.125
local terms energy: -279.034257
where:
bonds (distance) C4'-P energy: -68.366
bonds (distance) P-C4' energy: -58.005
flat angles C4'-P-C4' energy: -60.681
flat angles P-C4'-P energy: -33.854
tors. eta vs tors. theta energy: -58.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -639.259452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.259452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.259452 (E_RNA)
where:
Base-Base interactions energy: -391.589
where: short stacking energy: -198.247
Base-Backbone interact. energy: 2.024
local terms energy: -249.694479
where:
bonds (distance) C4'-P energy: -49.094
bonds (distance) P-C4' energy: -64.733
flat angles C4'-P-C4' energy: -58.210
flat angles P-C4'-P energy: -34.829
tors. eta vs tors. theta energy: -42.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -396.259632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.259632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.259632 (E_RNA)
where:
Base-Base interactions energy: -215.837
where: short stacking energy: -123.617
Base-Backbone interact. energy: 0.975
local terms energy: -181.397619
where:
bonds (distance) C4'-P energy: -60.143
bonds (distance) P-C4' energy: -47.545
flat angles C4'-P-C4' energy: -48.175
flat angles P-C4'-P energy: -27.001
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: 10, replica: 7
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -297.667528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.667528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.667528 (E_RNA)
where:
Base-Base interactions energy: -97.131
where: short stacking energy: -75.042
Base-Backbone interact. energy: -0.614
local terms energy: -199.922909
where:
bonds (distance) C4'-P energy: -61.757
bonds (distance) P-C4' energy: -70.561
flat angles C4'-P-C4' energy: -48.407
flat angles P-C4'-P energy: -27.980
tors. eta vs tors. theta energy: 8.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -1125.795401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.795401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.795401 (E_RNA)
where:
Base-Base interactions energy: -781.792
where: short stacking energy: -329.280
Base-Backbone interact. energy: -1.569
local terms energy: -342.434446
where:
bonds (distance) C4'-P energy: -70.069
bonds (distance) P-C4' energy: -60.418
flat angles C4'-P-C4' energy: -68.342
flat angles P-C4'-P energy: -49.815
tors. eta vs tors. theta energy: -93.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -1140.948773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.948773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.948773 (E_RNA)
where:
Base-Base interactions energy: -783.246
where: short stacking energy: -341.561
Base-Backbone interact. energy: 0.443
local terms energy: -358.145614
where:
bonds (distance) C4'-P energy: -68.093
bonds (distance) P-C4' energy: -63.883
flat angles C4'-P-C4' energy: -75.868
flat angles P-C4'-P energy: -50.833
tors. eta vs tors. theta energy: -99.468
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: 3, replica: 8
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -1084.524980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.524980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.524980 (E_RNA)
where:
Base-Base interactions energy: -737.431
where: short stacking energy: -326.289
Base-Backbone interact. energy: -1.238
local terms energy: -345.856344
where:
bonds (distance) C4'-P energy: -62.048
bonds (distance) P-C4' energy: -61.074
flat angles C4'-P-C4' energy: -76.796
flat angles P-C4'-P energy: -51.228
tors. eta vs tors. theta energy: -94.710
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: 2
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -1036.189355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.189355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.189355 (E_RNA)
where:
Base-Base interactions energy: -717.529
where: short stacking energy: -312.392
Base-Backbone interact. energy: -0.926
local terms energy: -317.734143
where:
bonds (distance) C4'-P energy: -57.949
bonds (distance) P-C4' energy: -51.240
flat angles C4'-P-C4' energy: -60.471
flat angles P-C4'-P energy: -46.714
tors. eta vs tors. theta energy: -101.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -934.867440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.867440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.867440 (E_RNA)
where:
Base-Base interactions energy: -626.646
where: short stacking energy: -279.431
Base-Backbone interact. energy: -0.466
local terms energy: -307.755725
where:
bonds (distance) C4'-P energy: -64.081
bonds (distance) P-C4' energy: -65.614
flat angles C4'-P-C4' energy: -62.460
flat angles P-C4'-P energy: -44.331
tors. eta vs tors. theta energy: -71.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -957.068542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.068542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.068542 (E_RNA)
where:
Base-Base interactions energy: -647.245
where: short stacking energy: -272.892
Base-Backbone interact. energy: 0.138
local terms energy: -309.960973
where:
bonds (distance) C4'-P energy: -59.784
bonds (distance) P-C4' energy: -58.610
flat angles C4'-P-C4' energy: -63.689
flat angles P-C4'-P energy: -42.177
tors. eta vs tors. theta energy: -85.701
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: 9
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -790.488281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.488281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.488281 (E_RNA)
where:
Base-Base interactions energy: -521.551
where: short stacking energy: -221.236
Base-Backbone interact. energy: -3.416
local terms energy: -265.521183
where:
bonds (distance) C4'-P energy: -55.735
bonds (distance) P-C4' energy: -71.249
flat angles C4'-P-C4' energy: -59.554
flat angles P-C4'-P energy: -35.364
tors. eta vs tors. theta energy: -43.619
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: 6
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -619.165827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.165827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.165827 (E_RNA)
where:
Base-Base interactions energy: -376.028
where: short stacking energy: -163.603
Base-Backbone interact. energy: -0.822
local terms energy: -242.316020
where:
bonds (distance) C4'-P energy: -53.191
bonds (distance) P-C4' energy: -57.025
flat angles C4'-P-C4' energy: -63.309
flat angles P-C4'-P energy: -46.296
tors. eta vs tors. theta energy: -22.495
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: 9, replica: 5
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -444.384357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.384357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.384357 (E_RNA)
where:
Base-Base interactions energy: -234.201
where: short stacking energy: -129.200
Base-Backbone interact. energy: -0.338
local terms energy: -209.845890
where:
bonds (distance) C4'-P energy: -55.729
bonds (distance) P-C4' energy: -53.526
flat angles C4'-P-C4' energy: -56.254
flat angles P-C4'-P energy: -25.293
tors. eta vs tors. theta energy: -19.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -294.548593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.548593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.548593 (E_RNA)
where:
Base-Base interactions energy: -102.459
where: short stacking energy: -97.171
Base-Backbone interact. energy: 0.542
local terms energy: -192.631053
where:
bonds (distance) C4'-P energy: -45.158
bonds (distance) P-C4' energy: -54.844
flat angles C4'-P-C4' energy: -48.850
flat angles P-C4'-P energy: -38.907
tors. eta vs tors. theta energy: -4.872
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: 1
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -1169.549721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.549721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.549721 (E_RNA)
where:
Base-Base interactions energy: -794.049
where: short stacking energy: -343.706
Base-Backbone interact. energy: -1.058
local terms energy: -374.443052
where:
bonds (distance) C4'-P energy: -70.458
bonds (distance) P-C4' energy: -68.194
flat angles C4'-P-C4' energy: -76.070
flat angles P-C4'-P energy: -55.865
tors. eta vs tors. theta energy: -103.855
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: 10
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -1109.760144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.760144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.760144 (E_RNA)
where:
Base-Base interactions energy: -764.606
where: short stacking energy: -323.686
Base-Backbone interact. energy: -3.161
local terms energy: -341.992589
where:
bonds (distance) C4'-P energy: -64.323
bonds (distance) P-C4' energy: -65.739
flat angles C4'-P-C4' energy: -73.173
flat angles P-C4'-P energy: -44.508
tors. eta vs tors. theta energy: -94.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -1091.922265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.922265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.922265 (E_RNA)
where:
Base-Base interactions energy: -758.257
where: short stacking energy: -338.674
Base-Backbone interact. energy: -1.060
local terms energy: -332.604772
where:
bonds (distance) C4'-P energy: -56.112
bonds (distance) P-C4' energy: -71.932
flat angles C4'-P-C4' energy: -72.392
flat angles P-C4'-P energy: -38.243
tors. eta vs tors. theta energy: -93.926
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: 2
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -1016.188822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.188822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.188822 (E_RNA)
where:
Base-Base interactions energy: -687.401
where: short stacking energy: -303.454
Base-Backbone interact. energy: -0.939
local terms energy: -327.848402
where:
bonds (distance) C4'-P energy: -60.472
bonds (distance) P-C4' energy: -62.288
flat angles C4'-P-C4' energy: -61.109
flat angles P-C4'-P energy: -56.543
tors. eta vs tors. theta energy: -87.436
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: 4
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -998.349402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.349402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.349402 (E_RNA)
where:
Base-Base interactions energy: -682.439
where: short stacking energy: -301.214
Base-Backbone interact. energy: -1.325
local terms energy: -314.585316
where:
bonds (distance) C4'-P energy: -59.210
bonds (distance) P-C4' energy: -47.853
flat angles C4'-P-C4' energy: -67.274
flat angles P-C4'-P energy: -53.646
tors. eta vs tors. theta energy: -86.603
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: 3
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -889.727147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.727147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.727147 (E_RNA)
where:
Base-Base interactions energy: -585.320
where: short stacking energy: -264.903
Base-Backbone interact. energy: -0.985
local terms energy: -303.422494
where:
bonds (distance) C4'-P energy: -59.626
bonds (distance) P-C4' energy: -65.923
flat angles C4'-P-C4' energy: -61.708
flat angles P-C4'-P energy: -43.331
tors. eta vs tors. theta energy: -72.835
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: 9
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -825.836475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.836475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.836475 (E_RNA)
where:
Base-Base interactions energy: -536.563
where: short stacking energy: -222.349
Base-Backbone interact. energy: 2.364
local terms energy: -291.636959
where:
bonds (distance) C4'-P energy: -64.822
bonds (distance) P-C4' energy: -56.072
flat angles C4'-P-C4' energy: -62.507
flat angles P-C4'-P energy: -45.368
tors. eta vs tors. theta energy: -62.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -629.641773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.641773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.641773 (E_RNA)
where:
Base-Base interactions energy: -398.286
where: short stacking energy: -196.047
Base-Backbone interact. energy: 1.966
local terms energy: -233.322274
where:
bonds (distance) C4'-P energy: -55.646
bonds (distance) P-C4' energy: -53.802
flat angles C4'-P-C4' energy: -46.145
flat angles P-C4'-P energy: -35.722
tors. eta vs tors. theta energy: -42.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -453.683000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.683000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.683000 (E_RNA)
where:
Base-Base interactions energy: -227.489
where: short stacking energy: -114.946
Base-Backbone interact. energy: 2.033
local terms energy: -228.226667
where:
bonds (distance) C4'-P energy: -56.729
bonds (distance) P-C4' energy: -67.484
flat angles C4'-P-C4' energy: -61.813
flat angles P-C4'-P energy: -29.020
tors. eta vs tors. theta energy: -13.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -284.075116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.075116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.075116 (E_RNA)
where:
Base-Base interactions energy: -89.925
where: short stacking energy: -76.393
Base-Backbone interact. energy: -0.181
local terms energy: -193.968592
where:
bonds (distance) C4'-P energy: -59.638
bonds (distance) P-C4' energy: -56.164
flat angles C4'-P-C4' energy: -45.132
flat angles P-C4'-P energy: -34.118
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: 1, replica: 1
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -1156.049347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.049347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.049347 (E_RNA)
where:
Base-Base interactions energy: -782.079
where: short stacking energy: -349.703
Base-Backbone interact. energy: -0.077
local terms energy: -373.893632
where:
bonds (distance) C4'-P energy: -68.540
bonds (distance) P-C4' energy: -69.172
flat angles C4'-P-C4' energy: -74.884
flat angles P-C4'-P energy: -52.420
tors. eta vs tors. theta energy: -108.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -1102.626730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.626730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.626730 (E_RNA)
where:
Base-Base interactions energy: -756.612
where: short stacking energy: -327.301
Base-Backbone interact. energy: -0.575
local terms energy: -345.439888
where:
bonds (distance) C4'-P energy: -61.345
bonds (distance) P-C4' energy: -68.708
flat angles C4'-P-C4' energy: -70.397
flat angles P-C4'-P energy: -54.873
tors. eta vs tors. theta energy: -90.116
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: 10
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -1126.842448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.842448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.842448 (E_RNA)
where:
Base-Base interactions energy: -771.187
where: short stacking energy: -340.861
Base-Backbone interact. energy: 0.468
local terms energy: -356.123527
where:
bonds (distance) C4'-P energy: -60.907
bonds (distance) P-C4' energy: -64.832
flat angles C4'-P-C4' energy: -76.502
flat angles P-C4'-P energy: -55.060
tors. eta vs tors. theta energy: -98.822
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: 2
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -997.836776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.836776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.836776 (E_RNA)
where:
Base-Base interactions energy: -673.744
where: short stacking energy: -310.311
Base-Backbone interact. energy: -1.272
local terms energy: -322.820341
where:
bonds (distance) C4'-P energy: -60.513
bonds (distance) P-C4' energy: -65.191
flat angles C4'-P-C4' energy: -66.811
flat angles P-C4'-P energy: -40.289
tors. eta vs tors. theta energy: -90.016
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: 4
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -975.131297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.131297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.131297 (E_RNA)
where:
Base-Base interactions energy: -686.366
where: short stacking energy: -287.990
Base-Backbone interact. energy: -2.211
local terms energy: -286.554557
where:
bonds (distance) C4'-P energy: -42.917
bonds (distance) P-C4' energy: -51.772
flat angles C4'-P-C4' energy: -72.376
flat angles P-C4'-P energy: -44.470
tors. eta vs tors. theta energy: -75.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -902.478298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.478298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.478298 (E_RNA)
where:
Base-Base interactions energy: -589.696
where: short stacking energy: -269.809
Base-Backbone interact. energy: -1.328
local terms energy: -311.454231
where:
bonds (distance) C4'-P energy: -62.807
bonds (distance) P-C4' energy: -59.777
flat angles C4'-P-C4' energy: -60.922
flat angles P-C4'-P energy: -44.386
tors. eta vs tors. theta energy: -83.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -831.269458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.269458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.269458 (E_RNA)
where:
Base-Base interactions energy: -547.573
where: short stacking energy: -234.600
Base-Backbone interact. energy: -1.248
local terms energy: -282.449185
where:
bonds (distance) C4'-P energy: -55.974
bonds (distance) P-C4' energy: -66.992
flat angles C4'-P-C4' energy: -55.247
flat angles P-C4'-P energy: -43.400
tors. eta vs tors. theta energy: -60.836
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: 6
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -635.907804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.907804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.907804 (E_RNA)
where:
Base-Base interactions energy: -398.709
where: short stacking energy: -180.598
Base-Backbone interact. energy: 2.062
local terms energy: -239.261628
where:
bonds (distance) C4'-P energy: -47.956
bonds (distance) P-C4' energy: -65.421
flat angles C4'-P-C4' energy: -53.686
flat angles P-C4'-P energy: -34.902
tors. eta vs tors. theta energy: -37.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -449.634493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.634493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.634493 (E_RNA)
where:
Base-Base interactions energy: -230.906
where: short stacking energy: -139.190
Base-Backbone interact. energy: 1.569
local terms energy: -220.297698
where:
bonds (distance) C4'-P energy: -44.159
bonds (distance) P-C4' energy: -58.503
flat angles C4'-P-C4' energy: -58.339
flat angles P-C4'-P energy: -43.327
tors. eta vs tors. theta energy: -15.969
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: 10, replica: 7
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -293.871121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.871121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.871121 (E_RNA)
where:
Base-Base interactions energy: -109.564
where: short stacking energy: -89.569
Base-Backbone interact. energy: 1.147
local terms energy: -185.453995
where:
bonds (distance) C4'-P energy: -63.341
bonds (distance) P-C4' energy: -56.062
flat angles C4'-P-C4' energy: -45.715
flat angles P-C4'-P energy: -15.333
tors. eta vs tors. theta energy: -5.003
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: 1
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -1164.577711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.577711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.577711 (E_RNA)
where:
Base-Base interactions energy: -797.859
where: short stacking energy: -360.525
Base-Backbone interact. energy: -0.266
local terms energy: -366.452378
where:
bonds (distance) C4'-P energy: -69.560
bonds (distance) P-C4' energy: -64.551
flat angles C4'-P-C4' energy: -71.806
flat angles P-C4'-P energy: -54.548
tors. eta vs tors. theta energy: -105.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -1101.551049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.551049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.551049 (E_RNA)
where:
Base-Base interactions energy: -768.389
where: short stacking energy: -328.335
Base-Backbone interact. energy: -1.548
local terms energy: -331.614088
where:
bonds (distance) C4'-P energy: -62.847
bonds (distance) P-C4' energy: -60.316
flat angles C4'-P-C4' energy: -74.059
flat angles P-C4'-P energy: -49.982
tors. eta vs tors. theta energy: -84.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -1128.876852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.876852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.876852 (E_RNA)
where:
Base-Base interactions energy: -776.376
where: short stacking energy: -337.390
Base-Backbone interact. energy: -0.466
local terms energy: -352.034840
where:
bonds (distance) C4'-P energy: -60.441
bonds (distance) P-C4' energy: -60.397
flat angles C4'-P-C4' energy: -73.273
flat angles P-C4'-P energy: -51.892
tors. eta vs tors. theta energy: -106.032
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: 164
Temperature: 1.050000
Total energy: -992.265750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.265750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.265750 (E_RNA)
where:
Base-Base interactions energy: -666.467
where: short stacking energy: -299.214
Base-Backbone interact. energy: 1.271
local terms energy: -327.069729
where:
bonds (distance) C4'-P energy: -68.109
bonds (distance) P-C4' energy: -63.757
flat angles C4'-P-C4' energy: -67.174
flat angles P-C4'-P energy: -46.503
tors. eta vs tors. theta energy: -81.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -974.272354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.272354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.272354 (E_RNA)
where:
Base-Base interactions energy: -675.682
where: short stacking energy: -280.299
Base-Backbone interact. energy: -0.055
local terms energy: -298.535294
where:
bonds (distance) C4'-P energy: -60.999
bonds (distance) P-C4' energy: -57.374
flat angles C4'-P-C4' energy: -66.588
flat angles P-C4'-P energy: -34.225
tors. eta vs tors. theta energy: -79.348
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: 6, replica: 3
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -928.915691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.915691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.915691 (E_RNA)
where:
Base-Base interactions energy: -619.849
where: short stacking energy: -276.946
Base-Backbone interact. energy: 0.223
local terms energy: -309.289567
where:
bonds (distance) C4'-P energy: -49.753
bonds (distance) P-C4' energy: -65.730
flat angles C4'-P-C4' energy: -65.322
flat angles P-C4'-P energy: -50.140
tors. eta vs tors. theta energy: -78.344
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: 9
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -846.230517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.230517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.230517 (E_RNA)
where:
Base-Base interactions energy: -566.671
where: short stacking energy: -234.953
Base-Backbone interact. energy: 1.502
local terms energy: -281.060780
where:
bonds (distance) C4'-P energy: -61.124
bonds (distance) P-C4' energy: -59.433
flat angles C4'-P-C4' energy: -58.411
flat angles P-C4'-P energy: -42.026
tors. eta vs tors. theta energy: -60.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -593.967792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.967792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.967792 (E_RNA)
where:
Base-Base interactions energy: -368.861
where: short stacking energy: -186.746
Base-Backbone interact. energy: 0.224
local terms energy: -225.330885
where:
bonds (distance) C4'-P energy: -52.275
bonds (distance) P-C4' energy: -61.283
flat angles C4'-P-C4' energy: -53.744
flat angles P-C4'-P energy: -26.470
tors. eta vs tors. theta energy: -31.559
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: 5
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -429.542902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.542902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.542902 (E_RNA)
where:
Base-Base interactions energy: -218.238
where: short stacking energy: -125.646
Base-Backbone interact. energy: 2.305
local terms energy: -213.609484
where:
bonds (distance) C4'-P energy: -54.324
bonds (distance) P-C4' energy: -52.157
flat angles C4'-P-C4' energy: -51.519
flat angles P-C4'-P energy: -40.078
tors. eta vs tors. theta energy: -15.531
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: 10, replica: 7
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -280.792099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.792099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.792099 (E_RNA)
where:
Base-Base interactions energy: -89.787
where: short stacking energy: -81.917
Base-Backbone interact. energy: -0.441
local terms energy: -190.564146
where:
bonds (distance) C4'-P energy: -50.918
bonds (distance) P-C4' energy: -68.911
flat angles C4'-P-C4' energy: -51.521
flat angles P-C4'-P energy: -18.334
tors. eta vs tors. theta energy: -0.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -1169.578733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.578733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.578733 (E_RNA)
where:
Base-Base interactions energy: -808.826
where: short stacking energy: -345.773
Base-Backbone interact. energy: 0.164
local terms energy: -360.917448
where:
bonds (distance) C4'-P energy: -65.365
bonds (distance) P-C4' energy: -60.247
flat angles C4'-P-C4' energy: -76.195
flat angles P-C4'-P energy: -57.210
tors. eta vs tors. theta energy: -101.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -1151.918167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.918167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.918167 (E_RNA)
where:
Base-Base interactions energy: -805.311
where: short stacking energy: -350.071
Base-Backbone interact. energy: 0.006
local terms energy: -346.612467
where:
bonds (distance) C4'-P energy: -72.039
bonds (distance) P-C4' energy: -55.780
flat angles C4'-P-C4' energy: -73.414
flat angles P-C4'-P energy: -41.082
tors. eta vs tors. theta energy: -104.297
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: 3, replica: 8
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -1087.568235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.568235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.568235 (E_RNA)
where:
Base-Base interactions energy: -771.061
where: short stacking energy: -315.815
Base-Backbone interact. energy: -1.888
local terms energy: -314.619585
where:
bonds (distance) C4'-P energy: -59.259
bonds (distance) P-C4' energy: -63.015
flat angles C4'-P-C4' energy: -63.870
flat angles P-C4'-P energy: -43.912
tors. eta vs tors. theta energy: -84.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -1015.353304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.353304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.353304 (E_RNA)
where:
Base-Base interactions energy: -696.936
where: short stacking energy: -309.212
Base-Backbone interact. energy: -0.873
local terms energy: -317.544266
where:
bonds (distance) C4'-P energy: -65.562
bonds (distance) P-C4' energy: -63.924
flat angles C4'-P-C4' energy: -68.638
flat angles P-C4'-P energy: -31.724
tors. eta vs tors. theta energy: -87.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -970.627636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.627636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.627636 (E_RNA)
where:
Base-Base interactions energy: -649.054
where: short stacking energy: -291.175
Base-Backbone interact. energy: -1.657
local terms energy: -319.916715
where:
bonds (distance) C4'-P energy: -67.304
bonds (distance) P-C4' energy: -57.025
flat angles C4'-P-C4' energy: -65.219
flat angles P-C4'-P energy: -48.921
tors. eta vs tors. theta energy: -81.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -916.888592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.888592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.888592 (E_RNA)
where:
Base-Base interactions energy: -607.176
where: short stacking energy: -284.843
Base-Backbone interact. energy: -0.338
local terms energy: -309.375264
where:
bonds (distance) C4'-P energy: -59.536
bonds (distance) P-C4' energy: -59.848
flat angles C4'-P-C4' energy: -63.167
flat angles P-C4'-P energy: -42.803
tors. eta vs tors. theta energy: -84.021
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: 9
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -823.354674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.354674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.354674 (E_RNA)
where:
Base-Base interactions energy: -543.512
where: short stacking energy: -241.104
Base-Backbone interact. energy: 0.978
local terms energy: -280.820432
where:
bonds (distance) C4'-P energy: -59.606
bonds (distance) P-C4' energy: -60.398
flat angles C4'-P-C4' energy: -54.349
flat angles P-C4'-P energy: -37.740
tors. eta vs tors. theta energy: -68.728
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: 8, replica: 6
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -591.729437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.729437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.729437 (E_RNA)
where:
Base-Base interactions energy: -370.854
where: short stacking energy: -177.122
Base-Backbone interact. energy: -0.595
local terms energy: -220.280925
where:
bonds (distance) C4'-P energy: -58.983
bonds (distance) P-C4' energy: -53.879
flat angles C4'-P-C4' energy: -54.949
flat angles P-C4'-P energy: -26.498
tors. eta vs tors. theta energy: -25.972
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: 5
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -471.385872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.385872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.385872 (E_RNA)
where:
Base-Base interactions energy: -251.271
where: short stacking energy: -154.726
Base-Backbone interact. energy: -0.225
local terms energy: -219.890218
where:
bonds (distance) C4'-P energy: -53.466
bonds (distance) P-C4' energy: -47.890
flat angles C4'-P-C4' energy: -67.803
flat angles P-C4'-P energy: -29.117
tors. eta vs tors. theta energy: -21.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -271.766414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.766414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.766414 (E_RNA)
where:
Base-Base interactions energy: -95.994
where: short stacking energy: -87.353
Base-Backbone interact. energy: -1.515
local terms energy: -174.256942
where:
bonds (distance) C4'-P energy: -55.503
bonds (distance) P-C4' energy: -48.182
flat angles C4'-P-C4' energy: -42.678
flat angles P-C4'-P energy: -26.815
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: 10
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -1174.811608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.811608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.811608 (E_RNA)
where:
Base-Base interactions energy: -802.310
where: short stacking energy: -351.416
Base-Backbone interact. energy: -1.492
local terms energy: -371.009529
where:
bonds (distance) C4'-P energy: -68.676
bonds (distance) P-C4' energy: -70.261
flat angles C4'-P-C4' energy: -75.583
flat angles P-C4'-P energy: -50.017
tors. eta vs tors. theta energy: -106.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -1125.789094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.789094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.789094 (E_RNA)
where:
Base-Base interactions energy: -780.188
where: short stacking energy: -343.120
Base-Backbone interact. energy: 1.858
local terms energy: -347.458694
where:
bonds (distance) C4'-P energy: -64.487
bonds (distance) P-C4' energy: -60.241
flat angles C4'-P-C4' energy: -74.420
flat angles P-C4'-P energy: -49.011
tors. eta vs tors. theta energy: -99.300
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: 3, replica: 8
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -1087.699565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.699565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.699565 (E_RNA)
where:
Base-Base interactions energy: -733.392
where: short stacking energy: -304.560
Base-Backbone interact. energy: -0.640
local terms energy: -353.667599
where:
bonds (distance) C4'-P energy: -74.660
bonds (distance) P-C4' energy: -58.850
flat angles C4'-P-C4' energy: -72.532
flat angles P-C4'-P energy: -51.520
tors. eta vs tors. theta energy: -96.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -1022.759309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.759309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.759309 (E_RNA)
where:
Base-Base interactions energy: -683.867
where: short stacking energy: -295.863
Base-Backbone interact. energy: -1.861
local terms energy: -337.031785
where:
bonds (distance) C4'-P energy: -65.524
bonds (distance) P-C4' energy: -56.905
flat angles C4'-P-C4' energy: -76.001
flat angles P-C4'-P energy: -53.558
tors. eta vs tors. theta energy: -85.043
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: 5, replica: 2
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -1007.754794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.754794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.754794 (E_RNA)
where:
Base-Base interactions energy: -683.476
where: short stacking energy: -317.210
Base-Backbone interact. energy: -1.101
local terms energy: -323.177403
where:
bonds (distance) C4'-P energy: -63.176
bonds (distance) P-C4' energy: -54.191
flat angles C4'-P-C4' energy: -66.664
flat angles P-C4'-P energy: -47.835
tors. eta vs tors. theta energy: -91.312
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: 6, replica: 3
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -893.683862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.683862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.683862 (E_RNA)
where:
Base-Base interactions energy: -591.705
where: short stacking energy: -270.353
Base-Backbone interact. energy: -1.515
local terms energy: -300.463894
where:
bonds (distance) C4'-P energy: -60.615
bonds (distance) P-C4' energy: -60.036
flat angles C4'-P-C4' energy: -66.431
flat angles P-C4'-P energy: -39.347
tors. eta vs tors. theta energy: -74.035
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: 9
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -803.556197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.556197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.556197 (E_RNA)
where:
Base-Base interactions energy: -555.488
where: short stacking energy: -245.043
Base-Backbone interact. energy: 1.753
local terms energy: -249.820296
where:
bonds (distance) C4'-P energy: -47.516
bonds (distance) P-C4' energy: -47.204
flat angles C4'-P-C4' energy: -69.152
flat angles P-C4'-P energy: -21.858
tors. eta vs tors. theta energy: -64.091
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: 6
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -606.035720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.035720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.035720 (E_RNA)
where:
Base-Base interactions energy: -369.326
where: short stacking energy: -149.406
Base-Backbone interact. energy: -0.802
local terms energy: -235.907934
where:
bonds (distance) C4'-P energy: -52.817
bonds (distance) P-C4' energy: -68.395
flat angles C4'-P-C4' energy: -54.810
flat angles P-C4'-P energy: -34.406
tors. eta vs tors. theta energy: -25.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -444.897097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.897097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.897097 (E_RNA)
where:
Base-Base interactions energy: -215.378
where: short stacking energy: -125.700
Base-Backbone interact. energy: -1.009
local terms energy: -228.510814
where:
bonds (distance) C4'-P energy: -48.324
bonds (distance) P-C4' energy: -54.300
flat angles C4'-P-C4' energy: -61.094
flat angles P-C4'-P energy: -40.868
tors. eta vs tors. theta energy: -23.925
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: 7
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -282.063718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.063718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.063718 (E_RNA)
where:
Base-Base interactions energy: -99.292
where: short stacking energy: -94.968
Base-Backbone interact. energy: 0.093
local terms energy: -182.864383
where:
bonds (distance) C4'-P energy: -53.343
bonds (distance) P-C4' energy: -61.598
flat angles C4'-P-C4' energy: -34.050
flat angles P-C4'-P energy: -34.767
tors. eta vs tors. theta energy: 0.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -1159.568871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.568871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.568871 (E_RNA)
where:
Base-Base interactions energy: -791.562
where: short stacking energy: -350.141
Base-Backbone interact. energy: 0.404
local terms energy: -368.410449
where:
bonds (distance) C4'-P energy: -53.568
bonds (distance) P-C4' energy: -70.027
flat angles C4'-P-C4' energy: -78.932
flat angles P-C4'-P energy: -56.033
tors. eta vs tors. theta energy: -109.851
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: 1
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -1141.479165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.479165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.479165 (E_RNA)
where:
Base-Base interactions energy: -784.243
where: short stacking energy: -346.856
Base-Backbone interact. energy: -0.873
local terms energy: -356.362947
where:
bonds (distance) C4'-P energy: -54.755
bonds (distance) P-C4' energy: -70.191
flat angles C4'-P-C4' energy: -73.813
flat angles P-C4'-P energy: -56.961
tors. eta vs tors. theta energy: -100.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -1059.837973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.837973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.837973 (E_RNA)
where:
Base-Base interactions energy: -729.265
where: short stacking energy: -322.932
Base-Backbone interact. energy: -0.256
local terms energy: -330.316300
where:
bonds (distance) C4'-P energy: -56.795
bonds (distance) P-C4' energy: -58.038
flat angles C4'-P-C4' energy: -74.551
flat angles P-C4'-P energy: -47.422
tors. eta vs tors. theta energy: -93.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -1037.746728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.746728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.746728 (E_RNA)
where:
Base-Base interactions energy: -718.564
where: short stacking energy: -324.694
Base-Backbone interact. energy: -1.149
local terms energy: -318.033738
where:
bonds (distance) C4'-P energy: -60.279
bonds (distance) P-C4' energy: -61.017
flat angles C4'-P-C4' energy: -69.261
flat angles P-C4'-P energy: -44.067
tors. eta vs tors. theta energy: -83.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -950.287139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.287139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.287139 (E_RNA)
where:
Base-Base interactions energy: -642.402
where: short stacking energy: -272.422
Base-Backbone interact. energy: -2.094
local terms energy: -305.791506
where:
bonds (distance) C4'-P energy: -55.117
bonds (distance) P-C4' energy: -55.760
flat angles C4'-P-C4' energy: -75.480
flat angles P-C4'-P energy: -45.591
tors. eta vs tors. theta energy: -73.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -920.171795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.171795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.171795 (E_RNA)
where:
Base-Base interactions energy: -612.537
where: short stacking energy: -286.300
Base-Backbone interact. energy: -1.726
local terms energy: -305.908399
where:
bonds (distance) C4'-P energy: -58.415
bonds (distance) P-C4' energy: -56.632
flat angles C4'-P-C4' energy: -67.309
flat angles P-C4'-P energy: -38.352
tors. eta vs tors. theta energy: -85.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -820.997907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.997907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.997907 (E_RNA)
where:
Base-Base interactions energy: -545.085
where: short stacking energy: -247.051
Base-Backbone interact. energy: 0.248
local terms energy: -276.160868
where:
bonds (distance) C4'-P energy: -52.718
bonds (distance) P-C4' energy: -44.855
flat angles C4'-P-C4' energy: -71.008
flat angles P-C4'-P energy: -39.937
tors. eta vs tors. theta energy: -67.643
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: 6
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -623.114774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.114774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.114774 (E_RNA)
where:
Base-Base interactions energy: -370.732
where: short stacking energy: -177.705
Base-Backbone interact. energy: -0.083
local terms energy: -252.300243
where:
bonds (distance) C4'-P energy: -56.527
bonds (distance) P-C4' energy: -62.297
flat angles C4'-P-C4' energy: -56.787
flat angles P-C4'-P energy: -38.419
tors. eta vs tors. theta energy: -38.270
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: 9, replica: 5
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -456.513288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.513288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.513288 (E_RNA)
where:
Base-Base interactions energy: -264.134
where: short stacking energy: -161.475
Base-Backbone interact. energy: -0.999
local terms energy: -191.379804
where:
bonds (distance) C4'-P energy: -40.985
bonds (distance) P-C4' energy: -47.240
flat angles C4'-P-C4' energy: -55.482
flat angles P-C4'-P energy: -31.792
tors. eta vs tors. theta energy: -15.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -258.791950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.791950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.791950 (E_RNA)
where:
Base-Base interactions energy: -101.347
where: short stacking energy: -93.894
Base-Backbone interact. energy: 0.528
local terms energy: -157.972578
where:
bonds (distance) C4'-P energy: -56.653
bonds (distance) P-C4' energy: -51.320
flat angles C4'-P-C4' energy: -43.305
flat angles P-C4'-P energy: -17.389
tors. eta vs tors. theta energy: 10.694
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: 1, replica: 10
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -1163.461457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.461457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.461457 (E_RNA)
where:
Base-Base interactions energy: -793.807
where: short stacking energy: -357.109
Base-Backbone interact. energy: -1.629
local terms energy: -368.026040
where:
bonds (distance) C4'-P energy: -69.438
bonds (distance) P-C4' energy: -69.065
flat angles C4'-P-C4' energy: -68.984
flat angles P-C4'-P energy: -60.439
tors. eta vs tors. theta energy: -100.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -1127.999470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.999470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.999470 (E_RNA)
where:
Base-Base interactions energy: -789.779
where: short stacking energy: -340.554
Base-Backbone interact. energy: 0.527
local terms energy: -338.747328
where:
bonds (distance) C4'-P energy: -60.164
bonds (distance) P-C4' energy: -55.740
flat angles C4'-P-C4' energy: -75.872
flat angles P-C4'-P energy: -51.799
tors. eta vs tors. theta energy: -95.172
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: 8
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -1076.678440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.678440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.678440 (E_RNA)
where:
Base-Base interactions energy: -732.723
where: short stacking energy: -315.401
Base-Backbone interact. energy: 0.933
local terms energy: -344.888456
where:
bonds (distance) C4'-P energy: -66.388
bonds (distance) P-C4' energy: -73.020
flat angles C4'-P-C4' energy: -69.360
flat angles P-C4'-P energy: -46.805
tors. eta vs tors. theta energy: -89.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -1015.797479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.797479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.797479 (E_RNA)
where:
Base-Base interactions energy: -704.319
where: short stacking energy: -293.086
Base-Backbone interact. energy: -0.045
local terms energy: -311.433236
where:
bonds (distance) C4'-P energy: -48.834
bonds (distance) P-C4' energy: -65.338
flat angles C4'-P-C4' energy: -69.827
flat angles P-C4'-P energy: -45.373
tors. eta vs tors. theta energy: -82.061
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: 5, replica: 2
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -966.695954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.695954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.695954 (E_RNA)
where:
Base-Base interactions energy: -666.965
where: short stacking energy: -289.758
Base-Backbone interact. energy: -2.222
local terms energy: -297.509078
where:
bonds (distance) C4'-P energy: -53.448
bonds (distance) P-C4' energy: -52.627
flat angles C4'-P-C4' energy: -69.961
flat angles P-C4'-P energy: -49.735
tors. eta vs tors. theta energy: -71.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -886.375468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.375468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.375468 (E_RNA)
where:
Base-Base interactions energy: -580.488
where: short stacking energy: -267.048
Base-Backbone interact. energy: 0.460
local terms energy: -306.347671
where:
bonds (distance) C4'-P energy: -56.219
bonds (distance) P-C4' energy: -61.846
flat angles C4'-P-C4' energy: -68.245
flat angles P-C4'-P energy: -41.819
tors. eta vs tors. theta energy: -78.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -845.626573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.626573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.626573 (E_RNA)
where:
Base-Base interactions energy: -547.778
where: short stacking energy: -227.351
Base-Backbone interact. energy: -0.728
local terms energy: -297.120957
where:
bonds (distance) C4'-P energy: -69.555
bonds (distance) P-C4' energy: -66.978
flat angles C4'-P-C4' energy: -64.000
flat angles P-C4'-P energy: -42.593
tors. eta vs tors. theta energy: -53.995
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: 6
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -649.212373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.212373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.212373 (E_RNA)
where:
Base-Base interactions energy: -435.706
where: short stacking energy: -181.711
Base-Backbone interact. energy: 2.551
local terms energy: -216.057630
where:
bonds (distance) C4'-P energy: -40.544
bonds (distance) P-C4' energy: -52.777
flat angles C4'-P-C4' energy: -53.631
flat angles P-C4'-P energy: -37.085
tors. eta vs tors. theta energy: -32.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -449.675586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.675586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.675586 (E_RNA)
where:
Base-Base interactions energy: -229.401
where: short stacking energy: -144.848
Base-Backbone interact. energy: -1.857
local terms energy: -218.416646
where:
bonds (distance) C4'-P energy: -44.744
bonds (distance) P-C4' energy: -65.991
flat angles C4'-P-C4' energy: -54.510
flat angles P-C4'-P energy: -37.489
tors. eta vs tors. theta energy: -15.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -291.864029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.864029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.864029 (E_RNA)
where:
Base-Base interactions energy: -123.112
where: short stacking energy: -104.664
Base-Backbone interact. energy: 1.467
local terms energy: -170.218755
where:
bonds (distance) C4'-P energy: -41.422
bonds (distance) P-C4' energy: -49.860
flat angles C4'-P-C4' energy: -49.621
flat angles P-C4'-P energy: -25.728
tors. eta vs tors. theta energy: -3.588
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: 1, replica: 10
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -1166.849051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.849051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.849051 (E_RNA)
where:
Base-Base interactions energy: -799.830
where: short stacking energy: -353.729
Base-Backbone interact. energy: 1.770
local terms energy: -368.788458
where:
bonds (distance) C4'-P energy: -70.113
bonds (distance) P-C4' energy: -62.947
flat angles C4'-P-C4' energy: -78.772
flat angles P-C4'-P energy: -50.080
tors. eta vs tors. theta energy: -106.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -1105.134434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.134434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.134434 (E_RNA)
where:
Base-Base interactions energy: -764.176
where: short stacking energy: -335.134
Base-Backbone interact. energy: -1.840
local terms energy: -339.117898
where:
bonds (distance) C4'-P energy: -59.030
bonds (distance) P-C4' energy: -67.036
flat angles C4'-P-C4' energy: -69.403
flat angles P-C4'-P energy: -53.957
tors. eta vs tors. theta energy: -89.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -1122.267608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.267608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.267608 (E_RNA)
where:
Base-Base interactions energy: -777.656
where: short stacking energy: -350.832
Base-Backbone interact. energy: -1.432
local terms energy: -343.179649
where:
bonds (distance) C4'-P energy: -56.706
bonds (distance) P-C4' energy: -61.170
flat angles C4'-P-C4' energy: -72.591
flat angles P-C4'-P energy: -49.222
tors. eta vs tors. theta energy: -103.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -1044.354900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.354900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.354900 (E_RNA)
where:
Base-Base interactions energy: -722.632
where: short stacking energy: -322.948
Base-Backbone interact. energy: -0.903
local terms energy: -320.819832
where:
bonds (distance) C4'-P energy: -52.414
bonds (distance) P-C4' energy: -52.900
flat angles C4'-P-C4' energy: -67.473
flat angles P-C4'-P energy: -51.514
tors. eta vs tors. theta energy: -96.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -974.572021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.572021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.572021 (E_RNA)
where:
Base-Base interactions energy: -670.933
where: short stacking energy: -310.162
Base-Backbone interact. energy: -1.176
local terms energy: -302.463016
where:
bonds (distance) C4'-P energy: -54.705
bonds (distance) P-C4' energy: -46.465
flat angles C4'-P-C4' energy: -68.695
flat angles P-C4'-P energy: -42.883
tors. eta vs tors. theta energy: -89.715
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: 169
Temperature: 1.150000
Total energy: -862.919895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.919895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.919895 (E_RNA)
where:
Base-Base interactions energy: -582.286
where: short stacking energy: -241.418
Base-Backbone interact. energy: -0.649
local terms energy: -279.985393
where:
bonds (distance) C4'-P energy: -53.960
bonds (distance) P-C4' energy: -68.916
flat angles C4'-P-C4' energy: -61.470
flat angles P-C4'-P energy: -31.008
tors. eta vs tors. theta energy: -64.631
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: 9
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -820.330095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.330095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.330095 (E_RNA)
where:
Base-Base interactions energy: -539.653
where: short stacking energy: -235.358
Base-Backbone interact. energy: -0.924
local terms energy: -279.752623
where:
bonds (distance) C4'-P energy: -42.514
bonds (distance) P-C4' energy: -67.600
flat angles C4'-P-C4' energy: -62.012
flat angles P-C4'-P energy: -43.507
tors. eta vs tors. theta energy: -64.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -653.598457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.598457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.598457 (E_RNA)
where:
Base-Base interactions energy: -417.803
where: short stacking energy: -189.712
Base-Backbone interact. energy: -0.305
local terms energy: -235.490017
where:
bonds (distance) C4'-P energy: -49.832
bonds (distance) P-C4' energy: -64.272
flat angles C4'-P-C4' energy: -39.014
flat angles P-C4'-P energy: -39.073
tors. eta vs tors. theta energy: -43.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -428.291016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.291016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.291016 (E_RNA)
where:
Base-Base interactions energy: -251.211
where: short stacking energy: -126.802
Base-Backbone interact. energy: -0.430
local terms energy: -176.649727
where:
bonds (distance) C4'-P energy: -47.424
bonds (distance) P-C4' energy: -50.637
flat angles C4'-P-C4' energy: -50.210
flat angles P-C4'-P energy: -25.020
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: 10, replica: 7
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -322.273074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.273074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.273074 (E_RNA)
where:
Base-Base interactions energy: -131.137
where: short stacking energy: -94.251
Base-Backbone interact. energy: 1.466
local terms energy: -192.601478
where:
bonds (distance) C4'-P energy: -52.131
bonds (distance) P-C4' energy: -49.306
flat angles C4'-P-C4' energy: -55.247
flat angles P-C4'-P energy: -37.197
tors. eta vs tors. theta energy: 1.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -1154.397378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.397378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.397378 (E_RNA)
where:
Base-Base interactions energy: -791.502
where: short stacking energy: -339.428
Base-Backbone interact. energy: 0.249
local terms energy: -363.144861
where:
bonds (distance) C4'-P energy: -67.521
bonds (distance) P-C4' energy: -71.011
flat angles C4'-P-C4' energy: -73.556
flat angles P-C4'-P energy: -48.102
tors. eta vs tors. theta energy: -102.955
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: 8
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -1120.312136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.312136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.312136 (E_RNA)
where:
Base-Base interactions energy: -771.513
where: short stacking energy: -345.555
Base-Backbone interact. energy: -3.049
local terms energy: -345.749953
where:
bonds (distance) C4'-P energy: -65.895
bonds (distance) P-C4' energy: -62.636
flat angles C4'-P-C4' energy: -76.779
flat angles P-C4'-P energy: -51.947
tors. eta vs tors. theta energy: -88.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -1114.513037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.513037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.513037 (E_RNA)
where:
Base-Base interactions energy: -766.091
where: short stacking energy: -338.732
Base-Backbone interact. energy: 0.118
local terms energy: -348.540072
where:
bonds (distance) C4'-P energy: -67.719
bonds (distance) P-C4' energy: -65.987
flat angles C4'-P-C4' energy: -73.125
flat angles P-C4'-P energy: -44.602
tors. eta vs tors. theta energy: -97.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -1035.997319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.997319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.997319 (E_RNA)
where:
Base-Base interactions energy: -706.171
where: short stacking energy: -302.656
Base-Backbone interact. energy: -1.723
local terms energy: -328.102569
where:
bonds (distance) C4'-P energy: -59.153
bonds (distance) P-C4' energy: -55.898
flat angles C4'-P-C4' energy: -69.807
flat angles P-C4'-P energy: -53.296
tors. eta vs tors. theta energy: -89.948
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: 2
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -988.789949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.789949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.789949 (E_RNA)
where:
Base-Base interactions energy: -691.481
where: short stacking energy: -317.020
Base-Backbone interact. energy: -1.141
local terms energy: -296.167920
where:
bonds (distance) C4'-P energy: -60.018
bonds (distance) P-C4' energy: -48.760
flat angles C4'-P-C4' energy: -65.189
flat angles P-C4'-P energy: -46.208
tors. eta vs tors. theta energy: -75.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -875.282076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.282076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.282076 (E_RNA)
where:
Base-Base interactions energy: -569.058
where: short stacking energy: -256.318
Base-Backbone interact. energy: -0.965
local terms energy: -305.259193
where:
bonds (distance) C4'-P energy: -64.879
bonds (distance) P-C4' energy: -64.542
flat angles C4'-P-C4' energy: -58.024
flat angles P-C4'-P energy: -46.286
tors. eta vs tors. theta energy: -71.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -865.757831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.757831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.757831 (E_RNA)
where:
Base-Base interactions energy: -593.614
where: short stacking energy: -263.805
Base-Backbone interact. energy: 0.299
local terms energy: -272.442524
where:
bonds (distance) C4'-P energy: -53.543
bonds (distance) P-C4' energy: -45.943
flat angles C4'-P-C4' energy: -68.554
flat angles P-C4'-P energy: -38.927
tors. eta vs tors. theta energy: -65.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -672.113560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.113560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.113560 (E_RNA)
where:
Base-Base interactions energy: -406.776
where: short stacking energy: -207.829
Base-Backbone interact. energy: 2.099
local terms energy: -267.436358
where:
bonds (distance) C4'-P energy: -57.190
bonds (distance) P-C4' energy: -71.449
flat angles C4'-P-C4' energy: -48.350
flat angles P-C4'-P energy: -39.890
tors. eta vs tors. theta energy: -50.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -448.005733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.005733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.005733 (E_RNA)
where:
Base-Base interactions energy: -227.191
where: short stacking energy: -149.497
Base-Backbone interact. energy: -1.653
local terms energy: -219.161794
where:
bonds (distance) C4'-P energy: -52.978
bonds (distance) P-C4' energy: -57.525
flat angles C4'-P-C4' energy: -45.415
flat angles P-C4'-P energy: -42.390
tors. eta vs tors. theta energy: -20.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -320.691903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.691903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.691903 (E_RNA)
where:
Base-Base interactions energy: -134.500
where: short stacking energy: -97.821
Base-Backbone interact. energy: -0.503
local terms energy: -185.688595
where:
bonds (distance) C4'-P energy: -64.609
bonds (distance) P-C4' energy: -58.874
flat angles C4'-P-C4' energy: -47.443
flat angles P-C4'-P energy: -15.948
tors. eta vs tors. theta energy: 1.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -1173.111251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.111251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.111251 (E_RNA)
where:
Base-Base interactions energy: -801.287
where: short stacking energy: -356.091
Base-Backbone interact. energy: -1.739
local terms energy: -370.085330
where:
bonds (distance) C4'-P energy: -70.578
bonds (distance) P-C4' energy: -64.750
flat angles C4'-P-C4' energy: -75.008
flat angles P-C4'-P energy: -49.256
tors. eta vs tors. theta energy: -110.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -1124.357138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.357138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.357138 (E_RNA)
where:
Base-Base interactions energy: -770.921
where: short stacking energy: -342.467
Base-Backbone interact. energy: 0.373
local terms energy: -353.808663
where:
bonds (distance) C4'-P energy: -58.762
bonds (distance) P-C4' energy: -67.870
flat angles C4'-P-C4' energy: -73.401
flat angles P-C4'-P energy: -48.834
tors. eta vs tors. theta energy: -104.942
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: 8
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -1056.482190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.482190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.482190 (E_RNA)
where:
Base-Base interactions energy: -726.990
where: short stacking energy: -314.676
Base-Backbone interact. energy: -1.464
local terms energy: -328.027997
where:
bonds (distance) C4'-P energy: -69.802
bonds (distance) P-C4' energy: -61.808
flat angles C4'-P-C4' energy: -61.572
flat angles P-C4'-P energy: -49.398
tors. eta vs tors. theta energy: -85.447
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: 4
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -1088.459173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.459173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.459173 (E_RNA)
where:
Base-Base interactions energy: -755.373
where: short stacking energy: -336.648
Base-Backbone interact. energy: -2.357
local terms energy: -330.728732
where:
bonds (distance) C4'-P energy: -55.461
bonds (distance) P-C4' energy: -55.657
flat angles C4'-P-C4' energy: -73.294
flat angles P-C4'-P energy: -51.580
tors. eta vs tors. theta energy: -94.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -978.499596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.499596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.499596 (E_RNA)
where:
Base-Base interactions energy: -681.114
where: short stacking energy: -299.225
Base-Backbone interact. energy: 1.495
local terms energy: -298.880154
where:
bonds (distance) C4'-P energy: -54.047
bonds (distance) P-C4' energy: -65.193
flat angles C4'-P-C4' energy: -64.737
flat angles P-C4'-P energy: -42.761
tors. eta vs tors. theta energy: -72.141
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: 171
Temperature: 1.150000
Total energy: -841.434213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.434213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.434213 (E_RNA)
where:
Base-Base interactions energy: -549.164
where: short stacking energy: -246.564
Base-Backbone interact. energy: 0.154
local terms energy: -292.424048
where:
bonds (distance) C4'-P energy: -58.463
bonds (distance) P-C4' energy: -61.961
flat angles C4'-P-C4' energy: -62.650
flat angles P-C4'-P energy: -43.113
tors. eta vs tors. theta energy: -66.236
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: 7, replica: 9
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -860.781555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.781555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.781555 (E_RNA)
where:
Base-Base interactions energy: -582.384
where: short stacking energy: -252.429
Base-Backbone interact. energy: 2.220
local terms energy: -280.616806
where:
bonds (distance) C4'-P energy: -49.985
bonds (distance) P-C4' energy: -62.311
flat angles C4'-P-C4' energy: -57.530
flat angles P-C4'-P energy: -44.037
tors. eta vs tors. theta energy: -66.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -616.288846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.288846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.288846 (E_RNA)
where:
Base-Base interactions energy: -385.267
where: short stacking energy: -160.832
Base-Backbone interact. energy: 0.914
local terms energy: -231.935074
where:
bonds (distance) C4'-P energy: -58.125
bonds (distance) P-C4' energy: -58.493
flat angles C4'-P-C4' energy: -58.737
flat angles P-C4'-P energy: -31.941
tors. eta vs tors. theta energy: -24.638
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: 5
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -446.107926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.107926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.107926 (E_RNA)
where:
Base-Base interactions energy: -248.142
where: short stacking energy: -128.846
Base-Backbone interact. energy: -2.606
local terms energy: -195.359667
where:
bonds (distance) C4'-P energy: -53.406
bonds (distance) P-C4' energy: -58.931
flat angles C4'-P-C4' energy: -41.711
flat angles P-C4'-P energy: -32.059
tors. eta vs tors. theta energy: -9.252
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: 7
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -308.008647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.008647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.008647 (E_RNA)
where:
Base-Base interactions energy: -140.808
where: short stacking energy: -105.498
Base-Backbone interact. energy: 1.432
local terms energy: -168.633028
where:
bonds (distance) C4'-P energy: -47.331
bonds (distance) P-C4' energy: -57.404
flat angles C4'-P-C4' energy: -44.288
flat angles P-C4'-P energy: -27.762
tors. eta vs tors. theta energy: 8.152
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: 1
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -1134.922766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.922766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.922766 (E_RNA)
where:
Base-Base interactions energy: -777.190
where: short stacking energy: -356.367
Base-Backbone interact. energy: 0.080
local terms energy: -357.812345
where:
bonds (distance) C4'-P energy: -70.558
bonds (distance) P-C4' energy: -63.041
flat angles C4'-P-C4' energy: -68.634
flat angles P-C4'-P energy: -49.388
tors. eta vs tors. theta energy: -106.192
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: 10
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -1139.216766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.216766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.216766 (E_RNA)
where:
Base-Base interactions energy: -781.829
where: short stacking energy: -351.409
Base-Backbone interact. energy: -1.475
local terms energy: -355.912830
where:
bonds (distance) C4'-P energy: -59.665
bonds (distance) P-C4' energy: -64.761
flat angles C4'-P-C4' energy: -75.434
flat angles P-C4'-P energy: -49.902
tors. eta vs tors. theta energy: -106.151
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: 4
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -1063.337495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.337495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.337495 (E_RNA)
where:
Base-Base interactions energy: -727.058
where: short stacking energy: -323.043
Base-Backbone interact. energy: 4.765
local terms energy: -341.044199
where:
bonds (distance) C4'-P energy: -61.588
bonds (distance) P-C4' energy: -60.809
flat angles C4'-P-C4' energy: -70.722
flat angles P-C4'-P energy: -56.301
tors. eta vs tors. theta energy: -91.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -1039.840367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.840367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.840367 (E_RNA)
where:
Base-Base interactions energy: -719.899
where: short stacking energy: -306.341
Base-Backbone interact. energy: -1.040
local terms energy: -318.901978
where:
bonds (distance) C4'-P energy: -54.200
bonds (distance) P-C4' energy: -66.848
flat angles C4'-P-C4' energy: -66.640
flat angles P-C4'-P energy: -47.734
tors. eta vs tors. theta energy: -83.479
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: 5, replica: 2
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -964.243481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.243481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.243481 (E_RNA)
where:
Base-Base interactions energy: -650.317
where: short stacking energy: -266.136
Base-Backbone interact. energy: -0.888
local terms energy: -313.039180
where:
bonds (distance) C4'-P energy: -58.583
bonds (distance) P-C4' energy: -64.355
flat angles C4'-P-C4' energy: -68.096
flat angles P-C4'-P energy: -45.668
tors. eta vs tors. theta energy: -76.337
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: 6, replica: 3
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -862.283127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.283127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.283127 (E_RNA)
where:
Base-Base interactions energy: -571.342
where: short stacking energy: -244.132
Base-Backbone interact. energy: 2.848
local terms energy: -293.789585
where:
bonds (distance) C4'-P energy: -53.535
bonds (distance) P-C4' energy: -63.566
flat angles C4'-P-C4' energy: -62.513
flat angles P-C4'-P energy: -49.491
tors. eta vs tors. theta energy: -64.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -776.564289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.564289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.564289 (E_RNA)
where:
Base-Base interactions energy: -529.883
where: short stacking energy: -233.251
Base-Backbone interact. energy: 2.083
local terms energy: -248.764241
where:
bonds (distance) C4'-P energy: -49.327
bonds (distance) P-C4' energy: -55.156
flat angles C4'-P-C4' energy: -48.543
flat angles P-C4'-P energy: -39.834
tors. eta vs tors. theta energy: -55.904
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: 6
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -620.276472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.276472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.276472 (E_RNA)
where:
Base-Base interactions energy: -389.734
where: short stacking energy: -161.165
Base-Backbone interact. energy: 2.137
local terms energy: -232.679357
where:
bonds (distance) C4'-P energy: -52.271
bonds (distance) P-C4' energy: -62.456
flat angles C4'-P-C4' energy: -56.566
flat angles P-C4'-P energy: -40.690
tors. eta vs tors. theta energy: -20.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -463.222813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.222813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.222813 (E_RNA)
where:
Base-Base interactions energy: -271.255
where: short stacking energy: -159.377
Base-Backbone interact. energy: 4.130
local terms energy: -196.097243
where:
bonds (distance) C4'-P energy: -48.927
bonds (distance) P-C4' energy: -60.595
flat angles C4'-P-C4' energy: -41.453
flat angles P-C4'-P energy: -22.620
tors. eta vs tors. theta energy: -22.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -266.239137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.239137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.239137 (E_RNA)
where:
Base-Base interactions energy: -82.798
where: short stacking energy: -80.240
Base-Backbone interact. energy: -0.123
local terms energy: -183.317633
where:
bonds (distance) C4'-P energy: -57.162
bonds (distance) P-C4' energy: -66.115
flat angles C4'-P-C4' energy: -39.323
flat angles P-C4'-P energy: -16.772
tors. eta vs tors. theta energy: -3.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -1116.947452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.947452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.947452 (E_RNA)
where:
Base-Base interactions energy: -768.506
where: short stacking energy: -341.146
Base-Backbone interact. energy: -1.282
local terms energy: -347.159508
where:
bonds (distance) C4'-P energy: -61.461
bonds (distance) P-C4' energy: -61.402
flat angles C4'-P-C4' energy: -73.171
flat angles P-C4'-P energy: -51.697
tors. eta vs tors. theta energy: -99.429
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: 10
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -1149.931780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.931780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.931780 (E_RNA)
where:
Base-Base interactions energy: -789.603
where: short stacking energy: -338.490
Base-Backbone interact. energy: -3.581
local terms energy: -356.747770
where:
bonds (distance) C4'-P energy: -74.139
bonds (distance) P-C4' energy: -61.369
flat angles C4'-P-C4' energy: -75.203
flat angles P-C4'-P energy: -45.303
tors. eta vs tors. theta energy: -100.734
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: 3, replica: 4
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -1045.900675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.900675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.900675 (E_RNA)
where:
Base-Base interactions energy: -720.001
where: short stacking energy: -309.849
Base-Backbone interact. energy: -0.347
local terms energy: -325.552143
where:
bonds (distance) C4'-P energy: -66.716
bonds (distance) P-C4' energy: -61.299
flat angles C4'-P-C4' energy: -75.941
flat angles P-C4'-P energy: -41.369
tors. eta vs tors. theta energy: -80.227
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: 4, replica: 8
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -1040.648516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.648516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.648516 (E_RNA)
where:
Base-Base interactions energy: -736.369
where: short stacking energy: -311.134
Base-Backbone interact. energy: -0.860
local terms energy: -303.419834
where:
bonds (distance) C4'-P energy: -53.334
bonds (distance) P-C4' energy: -68.172
flat angles C4'-P-C4' energy: -61.924
flat angles P-C4'-P energy: -40.991
tors. eta vs tors. theta energy: -78.998
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: 5, replica: 2
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -963.406989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.406989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.406989 (E_RNA)
where:
Base-Base interactions energy: -658.230
where: short stacking energy: -286.102
Base-Backbone interact. energy: -1.020
local terms energy: -304.157213
where:
bonds (distance) C4'-P energy: -59.745
bonds (distance) P-C4' energy: -62.444
flat angles C4'-P-C4' energy: -61.027
flat angles P-C4'-P energy: -45.221
tors. eta vs tors. theta energy: -75.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -838.887936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.887936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.887936 (E_RNA)
where:
Base-Base interactions energy: -549.075
where: short stacking energy: -241.244
Base-Backbone interact. energy: -2.272
local terms energy: -287.541231
where:
bonds (distance) C4'-P energy: -60.695
bonds (distance) P-C4' energy: -66.285
flat angles C4'-P-C4' energy: -64.285
flat angles P-C4'-P energy: -37.559
tors. eta vs tors. theta energy: -58.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -803.950734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.950734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.950734 (E_RNA)
where:
Base-Base interactions energy: -522.007
where: short stacking energy: -239.393
Base-Backbone interact. energy: -0.048
local terms energy: -281.895313
where:
bonds (distance) C4'-P energy: -46.806
bonds (distance) P-C4' energy: -68.940
flat angles C4'-P-C4' energy: -61.243
flat angles P-C4'-P energy: -33.099
tors. eta vs tors. theta energy: -71.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -587.988426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.988426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.988426 (E_RNA)
where:
Base-Base interactions energy: -366.692
where: short stacking energy: -172.523
Base-Backbone interact. energy: -1.281
local terms energy: -220.015883
where:
bonds (distance) C4'-P energy: -63.224
bonds (distance) P-C4' energy: -48.792
flat angles C4'-P-C4' energy: -56.852
flat angles P-C4'-P energy: -25.250
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: 9, replica: 5
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -472.274928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.274928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.274928 (E_RNA)
where:
Base-Base interactions energy: -237.879
where: short stacking energy: -134.381
Base-Backbone interact. energy: -0.891
local terms energy: -233.505126
where:
bonds (distance) C4'-P energy: -59.037
bonds (distance) P-C4' energy: -62.962
flat angles C4'-P-C4' energy: -55.495
flat angles P-C4'-P energy: -33.640
tors. eta vs tors. theta energy: -22.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -302.148098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.148098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.148098 (E_RNA)
where:
Base-Base interactions energy: -96.988
where: short stacking energy: -82.541
Base-Backbone interact. energy: -1.605
local terms energy: -203.555728
where:
bonds (distance) C4'-P energy: -49.805
bonds (distance) P-C4' energy: -69.733
flat angles C4'-P-C4' energy: -46.917
flat angles P-C4'-P energy: -29.025
tors. eta vs tors. theta energy: -8.076
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: 1
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -1141.692287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.692287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.692287 (E_RNA)
where:
Base-Base interactions energy: -785.583
where: short stacking energy: -343.842
Base-Backbone interact. energy: -0.827
local terms energy: -355.282944
where:
bonds (distance) C4'-P energy: -61.981
bonds (distance) P-C4' energy: -67.937
flat angles C4'-P-C4' energy: -78.862
flat angles P-C4'-P energy: -51.068
tors. eta vs tors. theta energy: -95.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -1128.541321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.541321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.541321 (E_RNA)
where:
Base-Base interactions energy: -777.196
where: short stacking energy: -336.297
Base-Backbone interact. energy: -1.699
local terms energy: -349.646222
where:
bonds (distance) C4'-P energy: -68.180
bonds (distance) P-C4' energy: -68.527
flat angles C4'-P-C4' energy: -71.715
flat angles P-C4'-P energy: -46.211
tors. eta vs tors. theta energy: -95.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -1070.768325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.768325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.768325 (E_RNA)
where:
Base-Base interactions energy: -732.968
where: short stacking energy: -315.224
Base-Backbone interact. energy: -2.308
local terms energy: -335.492069
where:
bonds (distance) C4'-P energy: -67.188
bonds (distance) P-C4' energy: -61.323
flat angles C4'-P-C4' energy: -69.329
flat angles P-C4'-P energy: -46.531
tors. eta vs tors. theta energy: -91.122
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: 4
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -1022.264980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.264980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.264980 (E_RNA)
where:
Base-Base interactions energy: -707.738
where: short stacking energy: -320.488
Base-Backbone interact. energy: 0.059
local terms energy: -314.586875
where:
bonds (distance) C4'-P energy: -65.088
bonds (distance) P-C4' energy: -50.926
flat angles C4'-P-C4' energy: -68.612
flat angles P-C4'-P energy: -38.788
tors. eta vs tors. theta energy: -91.174
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: 2
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -990.074442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.074442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.074442 (E_RNA)
where:
Base-Base interactions energy: -683.649
where: short stacking energy: -294.802
Base-Backbone interact. energy: -0.332
local terms energy: -306.094124
where:
bonds (distance) C4'-P energy: -41.387
bonds (distance) P-C4' energy: -66.633
flat angles C4'-P-C4' energy: -69.229
flat angles P-C4'-P energy: -46.826
tors. eta vs tors. theta energy: -82.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -880.001982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.001982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.001982 (E_RNA)
where:
Base-Base interactions energy: -589.936
where: short stacking energy: -269.117
Base-Backbone interact. energy: -0.350
local terms energy: -289.716369
where:
bonds (distance) C4'-P energy: -53.155
bonds (distance) P-C4' energy: -52.979
flat angles C4'-P-C4' energy: -65.122
flat angles P-C4'-P energy: -37.857
tors. eta vs tors. theta energy: -80.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -814.573622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.573622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.573622 (E_RNA)
where:
Base-Base interactions energy: -532.562
where: short stacking energy: -230.522
Base-Backbone interact. energy: -0.143
local terms energy: -281.868349
where:
bonds (distance) C4'-P energy: -52.911
bonds (distance) P-C4' energy: -66.124
flat angles C4'-P-C4' energy: -61.199
flat angles P-C4'-P energy: -42.627
tors. eta vs tors. theta energy: -59.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -598.510892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.510892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.510892 (E_RNA)
where:
Base-Base interactions energy: -355.159
where: short stacking energy: -179.947
Base-Backbone interact. energy: -0.849
local terms energy: -242.503030
where:
bonds (distance) C4'-P energy: -54.519
bonds (distance) P-C4' energy: -47.791
flat angles C4'-P-C4' energy: -66.195
flat angles P-C4'-P energy: -34.007
tors. eta vs tors. theta energy: -39.992
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: 5
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -459.226702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.226702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.226702 (E_RNA)
where:
Base-Base interactions energy: -258.579
where: short stacking energy: -151.545
Base-Backbone interact. energy: -0.782
local terms energy: -199.865447
where:
bonds (distance) C4'-P energy: -58.801
bonds (distance) P-C4' energy: -36.354
flat angles C4'-P-C4' energy: -59.890
flat angles P-C4'-P energy: -28.213
tors. eta vs tors. theta energy: -16.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -287.925611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.925611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.925611 (E_RNA)
where:
Base-Base interactions energy: -119.460
where: short stacking energy: -95.678
Base-Backbone interact. energy: -1.889
local terms energy: -166.577192
where:
bonds (distance) C4'-P energy: -49.622
bonds (distance) P-C4' energy: -48.444
flat angles C4'-P-C4' energy: -46.817
flat angles P-C4'-P energy: -25.070
tors. eta vs tors. theta energy: 3.376
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: 1
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -1146.387934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.387934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.387934 (E_RNA)
where:
Base-Base interactions energy: -779.564
where: short stacking energy: -341.235
Base-Backbone interact. energy: -0.684
local terms energy: -366.139260
where:
bonds (distance) C4'-P energy: -64.827
bonds (distance) P-C4' energy: -69.677
flat angles C4'-P-C4' energy: -72.332
flat angles P-C4'-P energy: -56.982
tors. eta vs tors. theta energy: -102.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -1105.506382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.506382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.506382 (E_RNA)
where:
Base-Base interactions energy: -761.119
where: short stacking energy: -325.252
Base-Backbone interact. energy: -0.358
local terms energy: -344.029833
where:
bonds (distance) C4'-P energy: -70.224
bonds (distance) P-C4' energy: -54.487
flat angles C4'-P-C4' energy: -80.532
flat angles P-C4'-P energy: -41.020
tors. eta vs tors. theta energy: -97.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -1063.034739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.034739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.034739 (E_RNA)
where:
Base-Base interactions energy: -723.698
where: short stacking energy: -316.092
Base-Backbone interact. energy: -3.022
local terms energy: -336.314555
where:
bonds (distance) C4'-P energy: -63.490
bonds (distance) P-C4' energy: -68.086
flat angles C4'-P-C4' energy: -67.117
flat angles P-C4'-P energy: -50.803
tors. eta vs tors. theta energy: -86.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -1021.813167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.813167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.813167 (E_RNA)
where:
Base-Base interactions energy: -687.178
where: short stacking energy: -308.005
Base-Backbone interact. energy: -2.266
local terms energy: -332.370105
where:
bonds (distance) C4'-P energy: -59.528
bonds (distance) P-C4' energy: -66.423
flat angles C4'-P-C4' energy: -66.447
flat angles P-C4'-P energy: -48.260
tors. eta vs tors. theta energy: -91.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -959.849139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.849139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.849139 (E_RNA)
where:
Base-Base interactions energy: -683.558
where: short stacking energy: -281.879
Base-Backbone interact. energy: -0.166
local terms energy: -276.124944
where:
bonds (distance) C4'-P energy: -50.876
bonds (distance) P-C4' energy: -60.640
flat angles C4'-P-C4' energy: -59.916
flat angles P-C4'-P energy: -36.789
tors. eta vs tors. theta energy: -67.904
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: 3
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -926.187564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.187564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.187564 (E_RNA)
where:
Base-Base interactions energy: -614.474
where: short stacking energy: -279.380
Base-Backbone interact. energy: -0.456
local terms energy: -311.257437
where:
bonds (distance) C4'-P energy: -51.232
bonds (distance) P-C4' energy: -62.962
flat angles C4'-P-C4' energy: -67.574
flat angles P-C4'-P energy: -54.426
tors. eta vs tors. theta energy: -75.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -787.291034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.291034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.291034 (E_RNA)
where:
Base-Base interactions energy: -523.877
where: short stacking energy: -228.640
Base-Backbone interact. energy: -1.042
local terms energy: -262.371564
where:
bonds (distance) C4'-P energy: -59.731
bonds (distance) P-C4' energy: -47.314
flat angles C4'-P-C4' energy: -63.876
flat angles P-C4'-P energy: -41.123
tors. eta vs tors. theta energy: -50.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -615.984023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.984023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.984023 (E_RNA)
where:
Base-Base interactions energy: -395.762
where: short stacking energy: -212.869
Base-Backbone interact. energy: 2.769
local terms energy: -222.991094
where:
bonds (distance) C4'-P energy: -37.640
bonds (distance) P-C4' energy: -67.562
flat angles C4'-P-C4' energy: -54.114
flat angles P-C4'-P energy: -21.552
tors. eta vs tors. theta energy: -42.123
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: 5
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -446.031382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.031382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.031382 (E_RNA)
where:
Base-Base interactions energy: -248.754
where: short stacking energy: -140.679
Base-Backbone interact. energy: -1.981
local terms energy: -195.296272
where:
bonds (distance) C4'-P energy: -48.929
bonds (distance) P-C4' energy: -57.031
flat angles C4'-P-C4' energy: -49.143
flat angles P-C4'-P energy: -17.155
tors. eta vs tors. theta energy: -23.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -274.109227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.109227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.109227 (E_RNA)
where:
Base-Base interactions energy: -95.291
where: short stacking energy: -74.110
Base-Backbone interact. energy: -3.000
local terms energy: -175.818454
where:
bonds (distance) C4'-P energy: -43.450
bonds (distance) P-C4' energy: -55.228
flat angles C4'-P-C4' energy: -49.368
flat angles P-C4'-P energy: -35.232
tors. eta vs tors. theta energy: 7.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -1153.115293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.115293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.115293 (E_RNA)
where:
Base-Base interactions energy: -783.909
where: short stacking energy: -340.654
Base-Backbone interact. energy: -1.049
local terms energy: -368.157012
where:
bonds (distance) C4'-P energy: -66.432
bonds (distance) P-C4' energy: -60.907
flat angles C4'-P-C4' energy: -83.253
flat angles P-C4'-P energy: -54.635
tors. eta vs tors. theta energy: -102.930
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: 2, replica: 1
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -1112.847301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.847301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.847301 (E_RNA)
where:
Base-Base interactions energy: -753.524
where: short stacking energy: -330.131
Base-Backbone interact. energy: -1.107
local terms energy: -358.216037
where:
bonds (distance) C4'-P energy: -72.017
bonds (distance) P-C4' energy: -68.534
flat angles C4'-P-C4' energy: -70.544
flat angles P-C4'-P energy: -57.672
tors. eta vs tors. theta energy: -89.448
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: 8
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -1074.373807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.373807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.373807 (E_RNA)
where:
Base-Base interactions energy: -750.405
where: short stacking energy: -319.914
Base-Backbone interact. energy: -1.424
local terms energy: -322.545287
where:
bonds (distance) C4'-P energy: -61.551
bonds (distance) P-C4' energy: -56.802
flat angles C4'-P-C4' energy: -71.050
flat angles P-C4'-P energy: -44.288
tors. eta vs tors. theta energy: -88.854
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: 4
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -994.744362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.744362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.744362 (E_RNA)
where:
Base-Base interactions energy: -688.464
where: short stacking energy: -289.383
Base-Backbone interact. energy: -1.456
local terms energy: -304.823888
where:
bonds (distance) C4'-P energy: -52.799
bonds (distance) P-C4' energy: -58.645
flat angles C4'-P-C4' energy: -65.336
flat angles P-C4'-P energy: -49.514
tors. eta vs tors. theta energy: -78.530
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: 2
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -961.831335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.831335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.831335 (E_RNA)
where:
Base-Base interactions energy: -647.134
where: short stacking energy: -277.082
Base-Backbone interact. energy: 0.702
local terms energy: -315.399403
where:
bonds (distance) C4'-P energy: -67.898
bonds (distance) P-C4' energy: -57.594
flat angles C4'-P-C4' energy: -72.391
flat angles P-C4'-P energy: -41.450
tors. eta vs tors. theta energy: -76.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -922.492963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.492963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.492963 (E_RNA)
where:
Base-Base interactions energy: -623.794
where: short stacking energy: -286.223
Base-Backbone interact. energy: -1.297
local terms energy: -297.401804
where:
bonds (distance) C4'-P energy: -47.217
bonds (distance) P-C4' energy: -60.267
flat angles C4'-P-C4' energy: -63.697
flat angles P-C4'-P energy: -43.971
tors. eta vs tors. theta energy: -82.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -807.165912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.165912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.165912 (E_RNA)
where:
Base-Base interactions energy: -528.234
where: short stacking energy: -212.865
Base-Backbone interact. energy: -0.520
local terms energy: -278.411818
where:
bonds (distance) C4'-P energy: -57.307
bonds (distance) P-C4' energy: -64.251
flat angles C4'-P-C4' energy: -63.939
flat angles P-C4'-P energy: -39.404
tors. eta vs tors. theta energy: -53.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -659.694544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.694544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.694544 (E_RNA)
where:
Base-Base interactions energy: -401.335
where: short stacking energy: -197.071
Base-Backbone interact. energy: 1.586
local terms energy: -259.945474
where:
bonds (distance) C4'-P energy: -62.157
bonds (distance) P-C4' energy: -67.801
flat angles C4'-P-C4' energy: -53.749
flat angles P-C4'-P energy: -37.879
tors. eta vs tors. theta energy: -38.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -458.509221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.509221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.509221 (E_RNA)
where:
Base-Base interactions energy: -259.112
where: short stacking energy: -145.229
Base-Backbone interact. energy: -1.286
local terms energy: -198.111960
where:
bonds (distance) C4'-P energy: -59.057
bonds (distance) P-C4' energy: -51.179
flat angles C4'-P-C4' energy: -56.479
flat angles P-C4'-P energy: -22.469
tors. eta vs tors. theta energy: -8.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -279.044516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.044516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.044516 (E_RNA)
where:
Base-Base interactions energy: -110.915
where: short stacking energy: -103.423
Base-Backbone interact. energy: 5.948
local terms energy: -174.077321
where:
bonds (distance) C4'-P energy: -61.252
bonds (distance) P-C4' energy: -47.593
flat angles C4'-P-C4' energy: -37.520
flat angles P-C4'-P energy: -30.207
tors. eta vs tors. theta energy: 2.494
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: 1, replica: 10
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -1138.133843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.133843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.133843 (E_RNA)
where:
Base-Base interactions energy: -787.718
where: short stacking energy: -347.545
Base-Backbone interact. energy: -4.026
local terms energy: -346.390717
where:
bonds (distance) C4'-P energy: -59.307
bonds (distance) P-C4' energy: -63.758
flat angles C4'-P-C4' energy: -73.383
flat angles P-C4'-P energy: -51.722
tors. eta vs tors. theta energy: -98.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -1119.579825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.579825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.579825 (E_RNA)
where:
Base-Base interactions energy: -782.750
where: short stacking energy: -332.921
Base-Backbone interact. energy: -0.585
local terms energy: -336.244663
where:
bonds (distance) C4'-P energy: -64.584
bonds (distance) P-C4' energy: -68.353
flat angles C4'-P-C4' energy: -70.855
flat angles P-C4'-P energy: -44.420
tors. eta vs tors. theta energy: -88.032
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: 8
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -1060.927107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.927107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.927107 (E_RNA)
where:
Base-Base interactions energy: -731.385
where: short stacking energy: -317.187
Base-Backbone interact. energy: -0.075
local terms energy: -329.466366
where:
bonds (distance) C4'-P energy: -57.880
bonds (distance) P-C4' energy: -64.669
flat angles C4'-P-C4' energy: -70.770
flat angles P-C4'-P energy: -44.923
tors. eta vs tors. theta energy: -91.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -1016.820448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.820448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.820448 (E_RNA)
where:
Base-Base interactions energy: -683.591
where: short stacking energy: -303.542
Base-Backbone interact. energy: -0.962
local terms energy: -332.267353
where:
bonds (distance) C4'-P energy: -66.064
bonds (distance) P-C4' energy: -65.840
flat angles C4'-P-C4' energy: -65.895
flat angles P-C4'-P energy: -49.428
tors. eta vs tors. theta energy: -85.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -981.104904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.104904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.104904 (E_RNA)
where:
Base-Base interactions energy: -663.135
where: short stacking energy: -299.450
Base-Backbone interact. energy: -0.360
local terms energy: -317.609038
where:
bonds (distance) C4'-P energy: -51.926
bonds (distance) P-C4' energy: -66.920
flat angles C4'-P-C4' energy: -67.693
flat angles P-C4'-P energy: -48.789
tors. eta vs tors. theta energy: -82.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -883.829890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.829890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.829890 (E_RNA)
where:
Base-Base interactions energy: -587.771
where: short stacking energy: -260.234
Base-Backbone interact. energy: -0.560
local terms energy: -295.499235
where:
bonds (distance) C4'-P energy: -64.603
bonds (distance) P-C4' energy: -51.945
flat angles C4'-P-C4' energy: -56.701
flat angles P-C4'-P energy: -46.200
tors. eta vs tors. theta energy: -76.050
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: 9
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -804.631255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.631255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.631255 (E_RNA)
where:
Base-Base interactions energy: -539.730
where: short stacking energy: -238.260
Base-Backbone interact. energy: -1.538
local terms energy: -263.363160
where:
bonds (distance) C4'-P energy: -50.001
bonds (distance) P-C4' energy: -56.679
flat angles C4'-P-C4' energy: -53.909
flat angles P-C4'-P energy: -42.379
tors. eta vs tors. theta energy: -60.395
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: 6
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -648.024839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.024839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.024839 (E_RNA)
where:
Base-Base interactions energy: -406.994
where: short stacking energy: -197.147
Base-Backbone interact. energy: -0.875
local terms energy: -240.156119
where:
bonds (distance) C4'-P energy: -43.586
bonds (distance) P-C4' energy: -54.872
flat angles C4'-P-C4' energy: -66.547
flat angles P-C4'-P energy: -38.962
tors. eta vs tors. theta energy: -36.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -442.469465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.469465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.469465 (E_RNA)
where:
Base-Base interactions energy: -223.458
where: short stacking energy: -121.434
Base-Backbone interact. energy: 2.372
local terms energy: -221.383684
where:
bonds (distance) C4'-P energy: -55.911
bonds (distance) P-C4' energy: -60.267
flat angles C4'-P-C4' energy: -44.024
flat angles P-C4'-P energy: -47.584
tors. eta vs tors. theta energy: -13.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -284.190497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.190497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.190497 (E_RNA)
where:
Base-Base interactions energy: -103.311
where: short stacking energy: -93.995
Base-Backbone interact. energy: -0.780
local terms energy: -180.099380
where:
bonds (distance) C4'-P energy: -47.899
bonds (distance) P-C4' energy: -59.253
flat angles C4'-P-C4' energy: -48.552
flat angles P-C4'-P energy: -25.576
tors. eta vs tors. theta energy: 1.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -1170.702179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.702179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.702179 (E_RNA)
where:
Base-Base interactions energy: -803.233
where: short stacking energy: -357.096
Base-Backbone interact. energy: -1.817
local terms energy: -365.652059
where:
bonds (distance) C4'-P energy: -62.988
bonds (distance) P-C4' energy: -71.200
flat angles C4'-P-C4' energy: -71.975
flat angles P-C4'-P energy: -53.778
tors. eta vs tors. theta energy: -105.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -1128.554679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.554679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.554679 (E_RNA)
where:
Base-Base interactions energy: -781.420
where: short stacking energy: -339.070
Base-Backbone interact. energy: 2.556
local terms energy: -349.690752
where:
bonds (distance) C4'-P energy: -64.469
bonds (distance) P-C4' energy: -64.697
flat angles C4'-P-C4' energy: -70.707
flat angles P-C4'-P energy: -54.569
tors. eta vs tors. theta energy: -95.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -1078.373434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.373434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.373434 (E_RNA)
where:
Base-Base interactions energy: -731.513
where: short stacking energy: -323.710
Base-Backbone interact. energy: -1.626
local terms energy: -345.234649
where:
bonds (distance) C4'-P energy: -59.174
bonds (distance) P-C4' energy: -68.908
flat angles C4'-P-C4' energy: -75.102
flat angles P-C4'-P energy: -47.668
tors. eta vs tors. theta energy: -94.382
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: 4, replica: 2
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -999.208247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.208247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.208247 (E_RNA)
where:
Base-Base interactions energy: -690.679
where: short stacking energy: -307.329
Base-Backbone interact. energy: -0.483
local terms energy: -308.046947
where:
bonds (distance) C4'-P energy: -40.999
bonds (distance) P-C4' energy: -70.807
flat angles C4'-P-C4' energy: -68.065
flat angles P-C4'-P energy: -43.969
tors. eta vs tors. theta energy: -84.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -987.834346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.834346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.834346 (E_RNA)
where:
Base-Base interactions energy: -688.565
where: short stacking energy: -310.184
Base-Backbone interact. energy: -0.042
local terms energy: -299.227593
where:
bonds (distance) C4'-P energy: -61.373
bonds (distance) P-C4' energy: -49.360
flat angles C4'-P-C4' energy: -55.359
flat angles P-C4'-P energy: -43.775
tors. eta vs tors. theta energy: -89.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -874.821397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.821397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.821397 (E_RNA)
where:
Base-Base interactions energy: -576.406
where: short stacking energy: -245.265
Base-Backbone interact. energy: -0.883
local terms energy: -297.532594
where:
bonds (distance) C4'-P energy: -60.325
bonds (distance) P-C4' energy: -66.061
flat angles C4'-P-C4' energy: -63.566
flat angles P-C4'-P energy: -45.688
tors. eta vs tors. theta energy: -61.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -800.269801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.269801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.269801 (E_RNA)
where:
Base-Base interactions energy: -563.848
where: short stacking energy: -231.739
Base-Backbone interact. energy: -2.410
local terms energy: -234.012060
where:
bonds (distance) C4'-P energy: -46.251
bonds (distance) P-C4' energy: -50.655
flat angles C4'-P-C4' energy: -47.556
flat angles P-C4'-P energy: -38.595
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: 8, replica: 6
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -631.992449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.992449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.992449 (E_RNA)
where:
Base-Base interactions energy: -405.987
where: short stacking energy: -161.675
Base-Backbone interact. energy: 2.461
local terms energy: -228.466704
where:
bonds (distance) C4'-P energy: -54.803
bonds (distance) P-C4' energy: -55.444
flat angles C4'-P-C4' energy: -59.632
flat angles P-C4'-P energy: -35.650
tors. eta vs tors. theta energy: -22.938
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: 9, replica: 5
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -447.747896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.747896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.747896 (E_RNA)
where:
Base-Base interactions energy: -249.717
where: short stacking energy: -139.422
Base-Backbone interact. energy: 0.989
local terms energy: -199.020030
where:
bonds (distance) C4'-P energy: -50.308
bonds (distance) P-C4' energy: -57.694
flat angles C4'-P-C4' energy: -51.665
flat angles P-C4'-P energy: -29.436
tors. eta vs tors. theta energy: -9.916
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: 7
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -295.185688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.185688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.185688 (E_RNA)
where:
Base-Base interactions energy: -109.551
where: short stacking energy: -75.021
Base-Backbone interact. energy: 5.289
local terms energy: -190.923881
where:
bonds (distance) C4'-P energy: -48.409
bonds (distance) P-C4' energy: -55.433
flat angles C4'-P-C4' energy: -53.563
flat angles P-C4'-P energy: -44.395
tors. eta vs tors. theta energy: 10.877
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: 10
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -1177.442681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.442681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.442681 (E_RNA)
where:
Base-Base interactions energy: -798.878
where: short stacking energy: -348.047
Base-Backbone interact. energy: -2.604
local terms energy: -375.960088
where:
bonds (distance) C4'-P energy: -70.452
bonds (distance) P-C4' energy: -73.416
flat angles C4'-P-C4' energy: -75.100
flat angles P-C4'-P energy: -45.449
tors. eta vs tors. theta energy: -111.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -1119.456249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.456249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.456249 (E_RNA)
where:
Base-Base interactions energy: -779.220
where: short stacking energy: -330.828
Base-Backbone interact. energy: -0.680
local terms energy: -339.556648
where:
bonds (distance) C4'-P energy: -55.188
bonds (distance) P-C4' energy: -69.566
flat angles C4'-P-C4' energy: -77.208
flat angles P-C4'-P energy: -52.754
tors. eta vs tors. theta energy: -84.840
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: 8
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -1058.934372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.934372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.934372 (E_RNA)
where:
Base-Base interactions energy: -743.070
where: short stacking energy: -312.766
Base-Backbone interact. energy: 0.621
local terms energy: -316.485863
where:
bonds (distance) C4'-P energy: -68.294
bonds (distance) P-C4' energy: -56.035
flat angles C4'-P-C4' energy: -64.426
flat angles P-C4'-P energy: -47.104
tors. eta vs tors. theta energy: -80.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -990.984585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.984585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.984585 (E_RNA)
where:
Base-Base interactions energy: -676.998
where: short stacking energy: -313.003
Base-Backbone interact. energy: -1.436
local terms energy: -312.550415
where:
bonds (distance) C4'-P energy: -55.239
bonds (distance) P-C4' energy: -59.824
flat angles C4'-P-C4' energy: -66.678
flat angles P-C4'-P energy: -47.937
tors. eta vs tors. theta energy: -82.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -968.110759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.110759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.110759 (E_RNA)
where:
Base-Base interactions energy: -639.201
where: short stacking energy: -274.110
Base-Backbone interact. energy: -2.572
local terms energy: -326.338191
where:
bonds (distance) C4'-P energy: -65.877
bonds (distance) P-C4' energy: -63.685
flat angles C4'-P-C4' energy: -65.751
flat angles P-C4'-P energy: -50.571
tors. eta vs tors. theta energy: -80.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -859.213750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.213750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.213750 (E_RNA)
where:
Base-Base interactions energy: -570.685
where: short stacking energy: -252.085
Base-Backbone interact. energy: 0.649
local terms energy: -289.177773
where:
bonds (distance) C4'-P energy: -59.269
bonds (distance) P-C4' energy: -48.248
flat angles C4'-P-C4' energy: -72.055
flat angles P-C4'-P energy: -43.233
tors. eta vs tors. theta energy: -66.373
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: 9
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -804.719014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.719014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.719014 (E_RNA)
where:
Base-Base interactions energy: -545.581
where: short stacking energy: -234.158
Base-Backbone interact. energy: 0.270
local terms energy: -259.407788
where:
bonds (distance) C4'-P energy: -51.977
bonds (distance) P-C4' energy: -59.071
flat angles C4'-P-C4' energy: -53.706
flat angles P-C4'-P energy: -40.826
tors. eta vs tors. theta energy: -53.827
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: 8, replica: 6
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -660.197664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.197664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.197664 (E_RNA)
where:
Base-Base interactions energy: -427.335
where: short stacking energy: -188.935
Base-Backbone interact. energy: 0.275
local terms energy: -233.136891
where:
bonds (distance) C4'-P energy: -45.022
bonds (distance) P-C4' energy: -58.931
flat angles C4'-P-C4' energy: -60.882
flat angles P-C4'-P energy: -36.224
tors. eta vs tors. theta energy: -32.077
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: 179
Temperature: 1.300000
Total energy: -443.908129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.908129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.908129 (E_RNA)
where:
Base-Base interactions energy: -234.243
where: short stacking energy: -115.333
Base-Backbone interact. energy: -1.922
local terms energy: -207.742735
where:
bonds (distance) C4'-P energy: -58.060
bonds (distance) P-C4' energy: -62.991
flat angles C4'-P-C4' energy: -48.141
flat angles P-C4'-P energy: -33.332
tors. eta vs tors. theta energy: -5.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -277.341185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.341185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.341185 (E_RNA)
where:
Base-Base interactions energy: -87.212
where: short stacking energy: -75.296
Base-Backbone interact. energy: 3.133
local terms energy: -193.261911
where:
bonds (distance) C4'-P energy: -55.642
bonds (distance) P-C4' energy: -56.969
flat angles C4'-P-C4' energy: -52.502
flat angles P-C4'-P energy: -27.108
tors. eta vs tors. theta energy: -1.042
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: 10
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -1166.416031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.416031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.416031 (E_RNA)
where:
Base-Base interactions energy: -800.963
where: short stacking energy: -346.830
Base-Backbone interact. energy: -1.372
local terms energy: -364.081244
where:
bonds (distance) C4'-P energy: -67.932
bonds (distance) P-C4' energy: -63.561
flat angles C4'-P-C4' energy: -73.943
flat angles P-C4'-P energy: -52.569
tors. eta vs tors. theta energy: -106.077
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: 1
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -1110.194635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.194635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.194635 (E_RNA)
where:
Base-Base interactions energy: -775.392
where: short stacking energy: -328.651
Base-Backbone interact. energy: -1.309
local terms energy: -333.493061
where:
bonds (distance) C4'-P energy: -63.865
bonds (distance) P-C4' energy: -63.840
flat angles C4'-P-C4' energy: -66.371
flat angles P-C4'-P energy: -49.655
tors. eta vs tors. theta energy: -89.763
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: 8
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -1092.730094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.730094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.730094 (E_RNA)
where:
Base-Base interactions energy: -751.691
where: short stacking energy: -333.992
Base-Backbone interact. energy: -3.045
local terms energy: -337.993914
where:
bonds (distance) C4'-P energy: -64.806
bonds (distance) P-C4' energy: -62.539
flat angles C4'-P-C4' energy: -65.194
flat angles P-C4'-P energy: -55.396
tors. eta vs tors. theta energy: -90.059
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: 4
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -1012.698015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.698015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.698015 (E_RNA)
where:
Base-Base interactions energy: -690.771
where: short stacking energy: -317.148
Base-Backbone interact. energy: 0.174
local terms energy: -322.100771
where:
bonds (distance) C4'-P energy: -55.052
bonds (distance) P-C4' energy: -59.927
flat angles C4'-P-C4' energy: -72.904
flat angles P-C4'-P energy: -46.952
tors. eta vs tors. theta energy: -87.266
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: 2
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -982.732879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.732879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.732879 (E_RNA)
where:
Base-Base interactions energy: -669.842
where: short stacking energy: -287.587
Base-Backbone interact. energy: -0.601
local terms energy: -312.290104
where:
bonds (distance) C4'-P energy: -59.080
bonds (distance) P-C4' energy: -49.269
flat angles C4'-P-C4' energy: -68.900
flat angles P-C4'-P energy: -54.056
tors. eta vs tors. theta energy: -80.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -872.086051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.086051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.086051 (E_RNA)
where:
Base-Base interactions energy: -583.864
where: short stacking energy: -264.754
Base-Backbone interact. energy: -1.507
local terms energy: -286.714847
where:
bonds (distance) C4'-P energy: -55.570
bonds (distance) P-C4' energy: -61.239
flat angles C4'-P-C4' energy: -67.076
flat angles P-C4'-P energy: -41.153
tors. eta vs tors. theta energy: -61.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -837.927699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.927699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.927699 (E_RNA)
where:
Base-Base interactions energy: -574.555
where: short stacking energy: -248.138
Base-Backbone interact. energy: 1.353
local terms energy: -264.726219
where:
bonds (distance) C4'-P energy: -56.738
bonds (distance) P-C4' energy: -35.507
flat angles C4'-P-C4' energy: -54.479
flat angles P-C4'-P energy: -45.757
tors. eta vs tors. theta energy: -72.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -684.373311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.373311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.373311 (E_RNA)
where:
Base-Base interactions energy: -446.152
where: short stacking energy: -192.171
Base-Backbone interact. energy: -0.414
local terms energy: -237.807144
where:
bonds (distance) C4'-P energy: -43.408
bonds (distance) P-C4' energy: -60.057
flat angles C4'-P-C4' energy: -55.376
flat angles P-C4'-P energy: -37.102
tors. eta vs tors. theta energy: -41.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -456.877083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.877083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.877083 (E_RNA)
where:
Base-Base interactions energy: -248.527
where: short stacking energy: -155.329
Base-Backbone interact. energy: 1.230
local terms energy: -209.579979
where:
bonds (distance) C4'-P energy: -53.226
bonds (distance) P-C4' energy: -54.908
flat angles C4'-P-C4' energy: -54.712
flat angles P-C4'-P energy: -24.296
tors. eta vs tors. theta energy: -22.439
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: 7
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -274.199438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.199438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.199438 (E_RNA)
where:
Base-Base interactions energy: -102.292
where: short stacking energy: -68.137
Base-Backbone interact. energy: -1.051
local terms energy: -170.856363
where:
bonds (distance) C4'-P energy: -55.190
bonds (distance) P-C4' energy: -47.337
flat angles C4'-P-C4' energy: -65.490
flat angles P-C4'-P energy: -30.121
tors. eta vs tors. theta energy: 27.282
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: 1, replica: 10
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -1147.238514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.238514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.238514 (E_RNA)
where:
Base-Base interactions energy: -809.960
where: short stacking energy: -347.164
Base-Backbone interact. energy: -1.147
local terms energy: -336.131139
where:
bonds (distance) C4'-P energy: -56.745
bonds (distance) P-C4' energy: -60.120
flat angles C4'-P-C4' energy: -69.050
flat angles P-C4'-P energy: -54.986
tors. eta vs tors. theta energy: -95.230
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: 1
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -1133.502226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.502226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.502226 (E_RNA)
where:
Base-Base interactions energy: -778.058
where: short stacking energy: -340.768
Base-Backbone interact. energy: -1.300
local terms energy: -354.143480
where:
bonds (distance) C4'-P energy: -54.999
bonds (distance) P-C4' energy: -66.552
flat angles C4'-P-C4' energy: -82.758
flat angles P-C4'-P energy: -51.381
tors. eta vs tors. theta energy: -98.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -1079.647960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.647960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.647960 (E_RNA)
where:
Base-Base interactions energy: -772.063
where: short stacking energy: -310.172
Base-Backbone interact. energy: -2.057
local terms energy: -305.527952
where:
bonds (distance) C4'-P energy: -53.879
bonds (distance) P-C4' energy: -54.140
flat angles C4'-P-C4' energy: -68.277
flat angles P-C4'-P energy: -47.828
tors. eta vs tors. theta energy: -81.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -991.580839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.580839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.580839 (E_RNA)
where:
Base-Base interactions energy: -678.787
where: short stacking energy: -289.842
Base-Backbone interact. energy: -0.270
local terms energy: -312.524042
where:
bonds (distance) C4'-P energy: -56.665
bonds (distance) P-C4' energy: -58.677
flat angles C4'-P-C4' energy: -66.029
flat angles P-C4'-P energy: -49.666
tors. eta vs tors. theta energy: -81.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -968.176449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.176449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.176449 (E_RNA)
where:
Base-Base interactions energy: -663.850
where: short stacking energy: -303.685
Base-Backbone interact. energy: 0.343
local terms energy: -304.669667
where:
bonds (distance) C4'-P energy: -47.055
bonds (distance) P-C4' energy: -61.263
flat angles C4'-P-C4' energy: -62.337
flat angles P-C4'-P energy: -50.668
tors. eta vs tors. theta energy: -83.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -842.701383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.701383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.701383 (E_RNA)
where:
Base-Base interactions energy: -566.533
where: short stacking energy: -228.653
Base-Backbone interact. energy: 1.336
local terms energy: -277.503694
where:
bonds (distance) C4'-P energy: -61.609
bonds (distance) P-C4' energy: -64.674
flat angles C4'-P-C4' energy: -59.534
flat angles P-C4'-P energy: -41.365
tors. eta vs tors. theta energy: -50.322
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: 181
Temperature: 1.200000
Total energy: -834.938238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.938238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.938238 (E_RNA)
where:
Base-Base interactions energy: -568.280
where: short stacking energy: -246.573
Base-Backbone interact. energy: 0.266
local terms energy: -266.923948
where:
bonds (distance) C4'-P energy: -44.488
bonds (distance) P-C4' energy: -58.553
flat angles C4'-P-C4' energy: -64.218
flat angles P-C4'-P energy: -43.417
tors. eta vs tors. theta energy: -56.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -671.047136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.047136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.047136 (E_RNA)
where:
Base-Base interactions energy: -435.862
where: short stacking energy: -195.525
Base-Backbone interact. energy: -0.611
local terms energy: -234.574312
where:
bonds (distance) C4'-P energy: -46.945
bonds (distance) P-C4' energy: -69.011
flat angles C4'-P-C4' energy: -50.924
flat angles P-C4'-P energy: -33.409
tors. eta vs tors. theta energy: -34.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -469.254202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.254202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.254202 (E_RNA)
where:
Base-Base interactions energy: -258.755
where: short stacking energy: -144.908
Base-Backbone interact. energy: 0.291
local terms energy: -210.790380
where:
bonds (distance) C4'-P energy: -48.800
bonds (distance) P-C4' energy: -49.878
flat angles C4'-P-C4' energy: -54.286
flat angles P-C4'-P energy: -36.537
tors. eta vs tors. theta energy: -21.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -284.513438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.513438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.513438 (E_RNA)
where:
Base-Base interactions energy: -86.566
where: short stacking energy: -81.583
Base-Backbone interact. energy: -0.886
local terms energy: -197.061581
where:
bonds (distance) C4'-P energy: -55.097
bonds (distance) P-C4' energy: -70.124
flat angles C4'-P-C4' energy: -50.334
flat angles P-C4'-P energy: -33.060
tors. eta vs tors. theta energy: 11.553
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: 1
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -1112.666412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.666412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.666412 (E_RNA)
where:
Base-Base interactions energy: -763.957
where: short stacking energy: -337.587
Base-Backbone interact. energy: -0.977
local terms energy: -347.732260
where:
bonds (distance) C4'-P energy: -64.798
bonds (distance) P-C4' energy: -67.438
flat angles C4'-P-C4' energy: -70.618
flat angles P-C4'-P energy: -55.328
tors. eta vs tors. theta energy: -89.550
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: 10
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -1098.320339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.320339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.320339 (E_RNA)
where:
Base-Base interactions energy: -760.044
where: short stacking energy: -339.215
Base-Backbone interact. energy: -2.397
local terms energy: -335.878641
where:
bonds (distance) C4'-P energy: -56.895
bonds (distance) P-C4' energy: -68.825
flat angles C4'-P-C4' energy: -69.219
flat angles P-C4'-P energy: -49.945
tors. eta vs tors. theta energy: -90.994
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: 8
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -1092.030769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.030769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.030769 (E_RNA)
where:
Base-Base interactions energy: -761.834
where: short stacking energy: -309.862
Base-Backbone interact. energy: -2.130
local terms energy: -328.066210
where:
bonds (distance) C4'-P energy: -56.978
bonds (distance) P-C4' energy: -62.607
flat angles C4'-P-C4' energy: -72.855
flat angles P-C4'-P energy: -59.220
tors. eta vs tors. theta energy: -76.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -1025.371713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.371713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.371713 (E_RNA)
where:
Base-Base interactions energy: -698.711
where: short stacking energy: -312.360
Base-Backbone interact. energy: -0.635
local terms energy: -326.025676
where:
bonds (distance) C4'-P energy: -61.861
bonds (distance) P-C4' energy: -63.288
flat angles C4'-P-C4' energy: -67.302
flat angles P-C4'-P energy: -43.000
tors. eta vs tors. theta energy: -90.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -965.062298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.062298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.062298 (E_RNA)
where:
Base-Base interactions energy: -659.760
where: short stacking energy: -276.485
Base-Backbone interact. energy: -1.889
local terms energy: -303.413686
where:
bonds (distance) C4'-P energy: -58.749
bonds (distance) P-C4' energy: -60.618
flat angles C4'-P-C4' energy: -57.611
flat angles P-C4'-P energy: -53.608
tors. eta vs tors. theta energy: -72.827
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: 9
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -864.617723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.617723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.617723 (E_RNA)
where:
Base-Base interactions energy: -576.099
where: short stacking energy: -249.983
Base-Backbone interact. energy: 3.311
local terms energy: -291.830015
where:
bonds (distance) C4'-P energy: -57.598
bonds (distance) P-C4' energy: -55.215
flat angles C4'-P-C4' energy: -70.562
flat angles P-C4'-P energy: -37.256
tors. eta vs tors. theta energy: -71.199
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: 3
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -844.561372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.561372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.561372 (E_RNA)
where:
Base-Base interactions energy: -575.305
where: short stacking energy: -245.756
Base-Backbone interact. energy: -0.799
local terms energy: -268.457320
where:
bonds (distance) C4'-P energy: -54.412
bonds (distance) P-C4' energy: -48.309
flat angles C4'-P-C4' energy: -63.083
flat angles P-C4'-P energy: -37.957
tors. eta vs tors. theta energy: -64.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -635.938301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.938301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.938301 (E_RNA)
where:
Base-Base interactions energy: -390.864
where: short stacking energy: -173.677
Base-Backbone interact. energy: -1.946
local terms energy: -243.128897
where:
bonds (distance) C4'-P energy: -44.765
bonds (distance) P-C4' energy: -64.913
flat angles C4'-P-C4' energy: -56.160
flat angles P-C4'-P energy: -45.249
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: 9, replica: 5
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -446.687793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.687793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.687793 (E_RNA)
where:
Base-Base interactions energy: -240.040
where: short stacking energy: -136.917
Base-Backbone interact. energy: -0.888
local terms energy: -205.760261
where:
bonds (distance) C4'-P energy: -38.624
bonds (distance) P-C4' energy: -52.833
flat angles C4'-P-C4' energy: -53.652
flat angles P-C4'-P energy: -36.243
tors. eta vs tors. theta energy: -24.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -298.867357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.867357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.867357 (E_RNA)
where:
Base-Base interactions energy: -97.755
where: short stacking energy: -95.263
Base-Backbone interact. energy: 0.134
local terms energy: -201.246132
where:
bonds (distance) C4'-P energy: -59.504
bonds (distance) P-C4' energy: -52.752
flat angles C4'-P-C4' energy: -57.078
flat angles P-C4'-P energy: -38.301
tors. eta vs tors. theta energy: 6.390
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: 1
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -1126.317568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.317568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.317568 (E_RNA)
where:
Base-Base interactions energy: -775.160
where: short stacking energy: -330.800
Base-Backbone interact. energy: 0.542
local terms energy: -351.699609
where:
bonds (distance) C4'-P energy: -67.835
bonds (distance) P-C4' energy: -67.480
flat angles C4'-P-C4' energy: -76.188
flat angles P-C4'-P energy: -45.190
tors. eta vs tors. theta energy: -95.007
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: 10
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -1099.122140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.122140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.122140 (E_RNA)
where:
Base-Base interactions energy: -752.287
where: short stacking energy: -324.558
Base-Backbone interact. energy: -1.789
local terms energy: -345.045719
where:
bonds (distance) C4'-P energy: -68.696
bonds (distance) P-C4' energy: -62.647
flat angles C4'-P-C4' energy: -70.900
flat angles P-C4'-P energy: -47.793
tors. eta vs tors. theta energy: -95.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -1065.526251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.526251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.526251 (E_RNA)
where:
Base-Base interactions energy: -744.542
where: short stacking energy: -305.884
Base-Backbone interact. energy: -1.045
local terms energy: -319.939652
where:
bonds (distance) C4'-P energy: -67.664
bonds (distance) P-C4' energy: -70.245
flat angles C4'-P-C4' energy: -53.802
flat angles P-C4'-P energy: -48.892
tors. eta vs tors. theta energy: -79.337
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: 2
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -1007.392921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.392921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.392921 (E_RNA)
where:
Base-Base interactions energy: -697.773
where: short stacking energy: -304.000
Base-Backbone interact. energy: -1.664
local terms energy: -307.956178
where:
bonds (distance) C4'-P energy: -57.111
bonds (distance) P-C4' energy: -65.173
flat angles C4'-P-C4' energy: -51.492
flat angles P-C4'-P energy: -48.712
tors. eta vs tors. theta energy: -85.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -981.578867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.578867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.578867 (E_RNA)
where:
Base-Base interactions energy: -664.245
where: short stacking energy: -282.439
Base-Backbone interact. energy: 1.352
local terms energy: -318.685889
where:
bonds (distance) C4'-P energy: -64.922
bonds (distance) P-C4' energy: -62.472
flat angles C4'-P-C4' energy: -56.394
flat angles P-C4'-P energy: -49.693
tors. eta vs tors. theta energy: -85.205
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: 9
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -850.285794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.285794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.285794 (E_RNA)
where:
Base-Base interactions energy: -568.745
where: short stacking energy: -244.145
Base-Backbone interact. energy: -1.961
local terms energy: -279.580237
where:
bonds (distance) C4'-P energy: -52.218
bonds (distance) P-C4' energy: -62.925
flat angles C4'-P-C4' energy: -63.283
flat angles P-C4'-P energy: -47.232
tors. eta vs tors. theta energy: -53.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -826.806290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.806290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.806290 (E_RNA)
where:
Base-Base interactions energy: -541.269
where: short stacking energy: -236.229
Base-Backbone interact. energy: -0.335
local terms energy: -285.201922
where:
bonds (distance) C4'-P energy: -65.529
bonds (distance) P-C4' energy: -63.086
flat angles C4'-P-C4' energy: -64.357
flat angles P-C4'-P energy: -35.454
tors. eta vs tors. theta energy: -56.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -629.330704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.330704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.330704 (E_RNA)
where:
Base-Base interactions energy: -389.325
where: short stacking energy: -183.929
Base-Backbone interact. energy: -0.263
local terms energy: -239.742729
where:
bonds (distance) C4'-P energy: -50.513
bonds (distance) P-C4' energy: -56.383
flat angles C4'-P-C4' energy: -53.728
flat angles P-C4'-P energy: -47.374
tors. eta vs tors. theta energy: -31.745
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: 5
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -426.714354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.714354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.714354 (E_RNA)
where:
Base-Base interactions energy: -220.034
where: short stacking energy: -134.603
Base-Backbone interact. energy: 0.802
local terms energy: -207.482372
where:
bonds (distance) C4'-P energy: -58.908
bonds (distance) P-C4' energy: -56.026
flat angles C4'-P-C4' energy: -54.570
flat angles P-C4'-P energy: -27.992
tors. eta vs tors. theta energy: -9.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -293.259831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.259831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.259831 (E_RNA)
where:
Base-Base interactions energy: -121.450
where: short stacking energy: -76.214
Base-Backbone interact. energy: 1.618
local terms energy: -173.427898
where:
bonds (distance) C4'-P energy: -48.983
bonds (distance) P-C4' energy: -75.995
flat angles C4'-P-C4' energy: -44.402
flat angles P-C4'-P energy: -15.649
tors. eta vs tors. theta energy: 11.601
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: 10
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -1109.603566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.603566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.603566 (E_RNA)
where:
Base-Base interactions energy: -764.625
where: short stacking energy: -334.303
Base-Backbone interact. energy: -1.189
local terms energy: -343.789650
where:
bonds (distance) C4'-P energy: -62.948
bonds (distance) P-C4' energy: -58.941
flat angles C4'-P-C4' energy: -76.264
flat angles P-C4'-P energy: -52.668
tors. eta vs tors. theta energy: -92.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -1103.701135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.701135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.701135 (E_RNA)
where:
Base-Base interactions energy: -757.492
where: short stacking energy: -312.338
Base-Backbone interact. energy: -0.163
local terms energy: -346.045924
where:
bonds (distance) C4'-P energy: -69.540
bonds (distance) P-C4' energy: -56.245
flat angles C4'-P-C4' energy: -76.091
flat angles P-C4'-P energy: -53.553
tors. eta vs tors. theta energy: -90.618
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: 8
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -1087.730201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.730201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.730201 (E_RNA)
where:
Base-Base interactions energy: -763.126
where: short stacking energy: -319.040
Base-Backbone interact. energy: -3.494
local terms energy: -321.110303
where:
bonds (distance) C4'-P energy: -51.957
bonds (distance) P-C4' energy: -67.486
flat angles C4'-P-C4' energy: -63.664
flat angles P-C4'-P energy: -56.202
tors. eta vs tors. theta energy: -81.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -1005.331778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.331778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.331778 (E_RNA)
where:
Base-Base interactions energy: -677.603
where: short stacking energy: -312.383
Base-Backbone interact. energy: -1.290
local terms energy: -326.438549
where:
bonds (distance) C4'-P energy: -55.743
bonds (distance) P-C4' energy: -62.664
flat angles C4'-P-C4' energy: -70.639
flat angles P-C4'-P energy: -52.097
tors. eta vs tors. theta energy: -85.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -990.799969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.799969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.799969 (E_RNA)
where:
Base-Base interactions energy: -661.843
where: short stacking energy: -302.266
Base-Backbone interact. energy: -1.144
local terms energy: -327.812759
where:
bonds (distance) C4'-P energy: -50.928
bonds (distance) P-C4' energy: -60.277
flat angles C4'-P-C4' energy: -76.530
flat angles P-C4'-P energy: -46.461
tors. eta vs tors. theta energy: -93.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -867.445372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.445372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.445372 (E_RNA)
where:
Base-Base interactions energy: -590.402
where: short stacking energy: -245.116
Base-Backbone interact. energy: -1.764
local terms energy: -275.279744
where:
bonds (distance) C4'-P energy: -60.271
bonds (distance) P-C4' energy: -59.064
flat angles C4'-P-C4' energy: -59.173
flat angles P-C4'-P energy: -41.554
tors. eta vs tors. theta energy: -55.218
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: 7, replica: 3
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -835.296126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.296126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.296126 (E_RNA)
where:
Base-Base interactions energy: -544.490
where: short stacking energy: -247.028
Base-Backbone interact. energy: 1.931
local terms energy: -292.736895
where:
bonds (distance) C4'-P energy: -61.557
bonds (distance) P-C4' energy: -55.189
flat angles C4'-P-C4' energy: -69.487
flat angles P-C4'-P energy: -40.323
tors. eta vs tors. theta energy: -66.181
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: 6
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -649.584931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.584931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.584931 (E_RNA)
where:
Base-Base interactions energy: -432.936
where: short stacking energy: -200.057
Base-Backbone interact. energy: -0.343
local terms energy: -216.305536
where:
bonds (distance) C4'-P energy: -53.360
bonds (distance) P-C4' energy: -38.308
flat angles C4'-P-C4' energy: -49.737
flat angles P-C4'-P energy: -36.419
tors. eta vs tors. theta energy: -38.482
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: 184
Temperature: 1.300000
Total energy: -473.326335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.326335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.326335 (E_RNA)
where:
Base-Base interactions energy: -247.536
where: short stacking energy: -137.528
Base-Backbone interact. energy: -1.556
local terms energy: -224.234524
where:
bonds (distance) C4'-P energy: -55.057
bonds (distance) P-C4' energy: -65.008
flat angles C4'-P-C4' energy: -51.566
flat angles P-C4'-P energy: -30.848
tors. eta vs tors. theta energy: -21.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -277.774949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.774949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.774949 (E_RNA)
where:
Base-Base interactions energy: -110.847
where: short stacking energy: -90.481
Base-Backbone interact. energy: 2.864
local terms energy: -169.791552
where:
bonds (distance) C4'-P energy: -54.176
bonds (distance) P-C4' energy: -39.089
flat angles C4'-P-C4' energy: -41.813
flat angles P-C4'-P energy: -28.091
tors. eta vs tors. theta energy: -6.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -1148.895462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.895462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.895462 (E_RNA)
where:
Base-Base interactions energy: -803.289
where: short stacking energy: -346.881
Base-Backbone interact. energy: 1.143
local terms energy: -346.748673
where:
bonds (distance) C4'-P energy: -66.043
bonds (distance) P-C4' energy: -63.787
flat angles C4'-P-C4' energy: -74.581
flat angles P-C4'-P energy: -45.276
tors. eta vs tors. theta energy: -97.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -1098.310111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.310111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.310111 (E_RNA)
where:
Base-Base interactions energy: -754.962
where: short stacking energy: -329.618
Base-Backbone interact. energy: 2.686
local terms energy: -346.034624
where:
bonds (distance) C4'-P energy: -64.314
bonds (distance) P-C4' energy: -74.546
flat angles C4'-P-C4' energy: -68.771
flat angles P-C4'-P energy: -46.521
tors. eta vs tors. theta energy: -91.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -1054.526274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.526274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.526274 (E_RNA)
where:
Base-Base interactions energy: -724.974
where: short stacking energy: -293.138
Base-Backbone interact. energy: 0.813
local terms energy: -330.364794
where:
bonds (distance) C4'-P energy: -67.415
bonds (distance) P-C4' energy: -60.802
flat angles C4'-P-C4' energy: -65.655
flat angles P-C4'-P energy: -55.256
tors. eta vs tors. theta energy: -81.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -1001.511046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.511046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.511046 (E_RNA)
where:
Base-Base interactions energy: -675.510
where: short stacking energy: -304.420
Base-Backbone interact. energy: -0.583
local terms energy: -325.417748
where:
bonds (distance) C4'-P energy: -66.030
bonds (distance) P-C4' energy: -67.076
flat angles C4'-P-C4' energy: -73.174
flat angles P-C4'-P energy: -36.634
tors. eta vs tors. theta energy: -82.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -1001.800579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.800579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.800579 (E_RNA)
where:
Base-Base interactions energy: -678.129
where: short stacking energy: -306.173
Base-Backbone interact. energy: -0.344
local terms energy: -323.327307
where:
bonds (distance) C4'-P energy: -62.921
bonds (distance) P-C4' energy: -60.902
flat angles C4'-P-C4' energy: -63.153
flat angles P-C4'-P energy: -44.830
tors. eta vs tors. theta energy: -91.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -866.670850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.670850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.670850 (E_RNA)
where:
Base-Base interactions energy: -564.903
where: short stacking energy: -259.776
Base-Backbone interact. energy: -1.030
local terms energy: -300.738329
where:
bonds (distance) C4'-P energy: -65.221
bonds (distance) P-C4' energy: -57.837
flat angles C4'-P-C4' energy: -71.033
flat angles P-C4'-P energy: -34.650
tors. eta vs tors. theta energy: -71.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -855.023623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.023623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.023623 (E_RNA)
where:
Base-Base interactions energy: -581.970
where: short stacking energy: -235.900
Base-Backbone interact. energy: -1.476
local terms energy: -271.577768
where:
bonds (distance) C4'-P energy: -60.084
bonds (distance) P-C4' energy: -57.240
flat angles C4'-P-C4' energy: -56.185
flat angles P-C4'-P energy: -44.018
tors. eta vs tors. theta energy: -54.051
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: 8, replica: 6
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -647.467105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.467105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.467105 (E_RNA)
where:
Base-Base interactions energy: -435.416
where: short stacking energy: -196.022
Base-Backbone interact. energy: -1.268
local terms energy: -210.783052
where:
bonds (distance) C4'-P energy: -44.675
bonds (distance) P-C4' energy: -49.093
flat angles C4'-P-C4' energy: -52.688
flat angles P-C4'-P energy: -39.150
tors. eta vs tors. theta energy: -25.177
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: 5
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -483.292282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.292282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.292282 (E_RNA)
where:
Base-Base interactions energy: -249.217
where: short stacking energy: -125.055
Base-Backbone interact. energy: 0.503
local terms energy: -234.577443
where:
bonds (distance) C4'-P energy: -55.357
bonds (distance) P-C4' energy: -67.682
flat angles C4'-P-C4' energy: -43.774
flat angles P-C4'-P energy: -34.420
tors. eta vs tors. theta energy: -33.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -304.596716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.596716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.596716 (E_RNA)
where:
Base-Base interactions energy: -92.479
where: short stacking energy: -88.176
Base-Backbone interact. energy: -1.284
local terms energy: -210.832964
where:
bonds (distance) C4'-P energy: -52.643
bonds (distance) P-C4' energy: -61.827
flat angles C4'-P-C4' energy: -58.671
flat angles P-C4'-P energy: -33.064
tors. eta vs tors. theta energy: -4.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -1150.401510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.401510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.401510 (E_RNA)
where:
Base-Base interactions energy: -788.832
where: short stacking energy: -348.660
Base-Backbone interact. energy: 0.517
local terms energy: -362.086499
where:
bonds (distance) C4'-P energy: -61.896
bonds (distance) P-C4' energy: -63.784
flat angles C4'-P-C4' energy: -80.463
flat angles P-C4'-P energy: -48.570
tors. eta vs tors. theta energy: -107.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -1096.366252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.366252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.366252 (E_RNA)
where:
Base-Base interactions energy: -743.501
where: short stacking energy: -347.566
Base-Backbone interact. energy: -0.947
local terms energy: -351.918555
where:
bonds (distance) C4'-P energy: -51.926
bonds (distance) P-C4' energy: -69.375
flat angles C4'-P-C4' energy: -79.348
flat angles P-C4'-P energy: -54.454
tors. eta vs tors. theta energy: -96.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -1079.712109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.712109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.712109 (E_RNA)
where:
Base-Base interactions energy: -753.424
where: short stacking energy: -314.107
Base-Backbone interact. energy: -1.687
local terms energy: -324.600620
where:
bonds (distance) C4'-P energy: -61.897
bonds (distance) P-C4' energy: -68.690
flat angles C4'-P-C4' energy: -73.768
flat angles P-C4'-P energy: -38.679
tors. eta vs tors. theta energy: -81.566
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: 2
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -995.810894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.810894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.810894 (E_RNA)
where:
Base-Base interactions energy: -680.513
where: short stacking energy: -305.957
Base-Backbone interact. energy: -0.369
local terms energy: -314.928497
where:
bonds (distance) C4'-P energy: -58.967
bonds (distance) P-C4' energy: -54.160
flat angles C4'-P-C4' energy: -70.219
flat angles P-C4'-P energy: -46.646
tors. eta vs tors. theta energy: -84.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -984.183416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.183416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.183416 (E_RNA)
where:
Base-Base interactions energy: -674.452
where: short stacking energy: -309.450
Base-Backbone interact. energy: -1.534
local terms energy: -308.197720
where:
bonds (distance) C4'-P energy: -55.097
bonds (distance) P-C4' energy: -63.441
flat angles C4'-P-C4' energy: -66.684
flat angles P-C4'-P energy: -37.372
tors. eta vs tors. theta energy: -85.603
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: 3
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -877.931685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.931685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.931685 (E_RNA)
where:
Base-Base interactions energy: -578.865
where: short stacking energy: -255.771
Base-Backbone interact. energy: 1.360
local terms energy: -300.427298
where:
bonds (distance) C4'-P energy: -54.017
bonds (distance) P-C4' energy: -65.295
flat angles C4'-P-C4' energy: -66.609
flat angles P-C4'-P energy: -51.319
tors. eta vs tors. theta energy: -63.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -847.031477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.031477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.031477 (E_RNA)
where:
Base-Base interactions energy: -565.142
where: short stacking energy: -223.623
Base-Backbone interact. energy: 0.587
local terms energy: -282.477186
where:
bonds (distance) C4'-P energy: -63.527
bonds (distance) P-C4' energy: -60.651
flat angles C4'-P-C4' energy: -65.180
flat angles P-C4'-P energy: -36.736
tors. eta vs tors. theta energy: -56.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -677.499016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.499016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.499016 (E_RNA)
where:
Base-Base interactions energy: -439.350
where: short stacking energy: -203.470
Base-Backbone interact. energy: -1.144
local terms energy: -237.005517
where:
bonds (distance) C4'-P energy: -49.836
bonds (distance) P-C4' energy: -56.009
flat angles C4'-P-C4' energy: -57.605
flat angles P-C4'-P energy: -37.395
tors. eta vs tors. theta energy: -36.161
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: 5
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -449.171656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.171656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.171656 (E_RNA)
where:
Base-Base interactions energy: -239.850
where: short stacking energy: -150.081
Base-Backbone interact. energy: 0.756
local terms energy: -210.078061
where:
bonds (distance) C4'-P energy: -53.846
bonds (distance) P-C4' energy: -50.550
flat angles C4'-P-C4' energy: -51.229
flat angles P-C4'-P energy: -33.061
tors. eta vs tors. theta energy: -21.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -285.123942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.123942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.123942 (E_RNA)
where:
Base-Base interactions energy: -111.989
where: short stacking energy: -91.777
Base-Backbone interact. energy: -0.901
local terms energy: -172.234180
where:
bonds (distance) C4'-P energy: -39.833
bonds (distance) P-C4' energy: -69.864
flat angles C4'-P-C4' energy: -37.773
flat angles P-C4'-P energy: -26.335
tors. eta vs tors. theta energy: 1.572
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: 10
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -1160.781647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.781647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.781647 (E_RNA)
where:
Base-Base interactions energy: -807.804
where: short stacking energy: -352.799
Base-Backbone interact. energy: -1.329
local terms energy: -351.648451
where:
bonds (distance) C4'-P energy: -59.509
bonds (distance) P-C4' energy: -60.794
flat angles C4'-P-C4' energy: -80.015
flat angles P-C4'-P energy: -50.710
tors. eta vs tors. theta energy: -100.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -1110.333824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.333824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.333824 (E_RNA)
where:
Base-Base interactions energy: -769.815
where: short stacking energy: -359.917
Base-Backbone interact. energy: -0.157
local terms energy: -340.361941
where:
bonds (distance) C4'-P energy: -66.292
bonds (distance) P-C4' energy: -56.951
flat angles C4'-P-C4' energy: -64.120
flat angles P-C4'-P energy: -51.615
tors. eta vs tors. theta energy: -101.384
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: 8
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -1082.831959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.831959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.831959 (E_RNA)
where:
Base-Base interactions energy: -758.571
where: short stacking energy: -312.262
Base-Backbone interact. energy: -1.994
local terms energy: -322.266893
where:
bonds (distance) C4'-P energy: -64.805
bonds (distance) P-C4' energy: -50.792
flat angles C4'-P-C4' energy: -71.580
flat angles P-C4'-P energy: -50.896
tors. eta vs tors. theta energy: -84.193
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: 2
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -977.532182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.532182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.532182 (E_RNA)
where:
Base-Base interactions energy: -668.557
where: short stacking energy: -285.157
Base-Backbone interact. energy: -2.050
local terms energy: -306.925125
where:
bonds (distance) C4'-P energy: -55.525
bonds (distance) P-C4' energy: -52.661
flat angles C4'-P-C4' energy: -70.828
flat angles P-C4'-P energy: -52.371
tors. eta vs tors. theta energy: -75.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -983.967098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.967098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.967098 (E_RNA)
where:
Base-Base interactions energy: -680.244
where: short stacking energy: -295.804
Base-Backbone interact. energy: -2.489
local terms energy: -301.234524
where:
bonds (distance) C4'-P energy: -51.259
bonds (distance) P-C4' energy: -57.799
flat angles C4'-P-C4' energy: -65.814
flat angles P-C4'-P energy: -40.030
tors. eta vs tors. theta energy: -86.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -902.471426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.471426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.471426 (E_RNA)
where:
Base-Base interactions energy: -597.064
where: short stacking energy: -272.259
Base-Backbone interact. energy: -0.951
local terms energy: -304.456640
where:
bonds (distance) C4'-P energy: -59.514
bonds (distance) P-C4' energy: -60.877
flat angles C4'-P-C4' energy: -58.021
flat angles P-C4'-P energy: -36.937
tors. eta vs tors. theta energy: -89.108
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: 9
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -834.243044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.243044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.243044 (E_RNA)
where:
Base-Base interactions energy: -567.004
where: short stacking energy: -231.096
Base-Backbone interact. energy: 0.562
local terms energy: -267.800807
where:
bonds (distance) C4'-P energy: -50.746
bonds (distance) P-C4' energy: -49.099
flat angles C4'-P-C4' energy: -70.595
flat angles P-C4'-P energy: -50.334
tors. eta vs tors. theta energy: -47.026
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: 6
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -644.306640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.306640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.306640 (E_RNA)
where:
Base-Base interactions energy: -397.709
where: short stacking energy: -187.482
Base-Backbone interact. energy: -1.449
local terms energy: -245.148705
where:
bonds (distance) C4'-P energy: -54.307
bonds (distance) P-C4' energy: -54.341
flat angles C4'-P-C4' energy: -51.577
flat angles P-C4'-P energy: -46.044
tors. eta vs tors. theta energy: -38.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -447.931184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.931184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.931184 (E_RNA)
where:
Base-Base interactions energy: -235.079
where: short stacking energy: -140.062
Base-Backbone interact. energy: -1.044
local terms energy: -211.808399
where:
bonds (distance) C4'-P energy: -46.696
bonds (distance) P-C4' energy: -53.258
flat angles C4'-P-C4' energy: -51.310
flat angles P-C4'-P energy: -35.868
tors. eta vs tors. theta energy: -24.676
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: 7
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -269.519353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.519353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.519353 (E_RNA)
where:
Base-Base interactions energy: -114.059
where: short stacking energy: -78.540
Base-Backbone interact. energy: 0.803
local terms energy: -156.263279
where:
bonds (distance) C4'-P energy: -54.034
bonds (distance) P-C4' energy: -42.063
flat angles C4'-P-C4' energy: -47.952
flat angles P-C4'-P energy: -24.592
tors. eta vs tors. theta energy: 12.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -1195.210347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.210347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.210347 (E_RNA)
where:
Base-Base interactions energy: -818.344
where: short stacking energy: -358.952
Base-Backbone interact. energy: -1.586
local terms energy: -375.280465
where:
bonds (distance) C4'-P energy: -66.424
bonds (distance) P-C4' energy: -71.700
flat angles C4'-P-C4' energy: -76.811
flat angles P-C4'-P energy: -60.335
tors. eta vs tors. theta energy: -100.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -1121.766595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.766595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.766595 (E_RNA)
where:
Base-Base interactions energy: -772.889
where: short stacking energy: -346.320
Base-Backbone interact. energy: 0.387
local terms energy: -349.263742
where:
bonds (distance) C4'-P energy: -54.808
bonds (distance) P-C4' energy: -63.699
flat angles C4'-P-C4' energy: -80.533
flat angles P-C4'-P energy: -51.513
tors. eta vs tors. theta energy: -98.711
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: 3, replica: 8
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -1075.626261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.626261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.626261 (E_RNA)
where:
Base-Base interactions energy: -752.808
where: short stacking energy: -322.725
Base-Backbone interact. energy: 1.106
local terms energy: -323.924556
where:
bonds (distance) C4'-P energy: -52.750
bonds (distance) P-C4' energy: -61.199
flat angles C4'-P-C4' energy: -69.437
flat angles P-C4'-P energy: -54.654
tors. eta vs tors. theta energy: -85.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -977.768567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.768567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.768567 (E_RNA)
where:
Base-Base interactions energy: -664.191
where: short stacking energy: -290.427
Base-Backbone interact. energy: -1.294
local terms energy: -312.283003
where:
bonds (distance) C4'-P energy: -57.285
bonds (distance) P-C4' energy: -64.877
flat angles C4'-P-C4' energy: -68.557
flat angles P-C4'-P energy: -44.667
tors. eta vs tors. theta energy: -76.897
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: 188
Temperature: 1.100000
Total energy: -926.635322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.635322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.635322 (E_RNA)
where:
Base-Base interactions energy: -611.631
where: short stacking energy: -289.451
Base-Backbone interact. energy: -0.939
local terms energy: -314.065007
where:
bonds (distance) C4'-P energy: -57.381
bonds (distance) P-C4' energy: -59.138
flat angles C4'-P-C4' energy: -62.777
flat angles P-C4'-P energy: -51.484
tors. eta vs tors. theta energy: -83.286
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: 4
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -974.248855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.248855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.248855 (E_RNA)
where:
Base-Base interactions energy: -655.153
where: short stacking energy: -297.619
Base-Backbone interact. energy: 0.698
local terms energy: -319.793880
where:
bonds (distance) C4'-P energy: -63.365
bonds (distance) P-C4' energy: -61.897
flat angles C4'-P-C4' energy: -70.849
flat angles P-C4'-P energy: -42.977
tors. eta vs tors. theta energy: -80.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -843.795678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.795678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.795678 (E_RNA)
where:
Base-Base interactions energy: -577.795
where: short stacking energy: -239.718
Base-Backbone interact. energy: -2.134
local terms energy: -263.866185
where:
bonds (distance) C4'-P energy: -57.366
bonds (distance) P-C4' energy: -63.437
flat angles C4'-P-C4' energy: -62.333
flat angles P-C4'-P energy: -30.975
tors. eta vs tors. theta energy: -49.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -617.664916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.664916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.664916 (E_RNA)
where:
Base-Base interactions energy: -388.155
where: short stacking energy: -153.894
Base-Backbone interact. energy: -1.639
local terms energy: -227.870655
where:
bonds (distance) C4'-P energy: -59.417
bonds (distance) P-C4' energy: -49.109
flat angles C4'-P-C4' energy: -54.041
flat angles P-C4'-P energy: -36.790
tors. eta vs tors. theta energy: -28.513
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: 5
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -472.204693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.204693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.204693 (E_RNA)
where:
Base-Base interactions energy: -245.785
where: short stacking energy: -132.961
Base-Backbone interact. energy: -2.065
local terms energy: -224.354184
where:
bonds (distance) C4'-P energy: -61.358
bonds (distance) P-C4' energy: -65.397
flat angles C4'-P-C4' energy: -54.057
flat angles P-C4'-P energy: -26.806
tors. eta vs tors. theta energy: -16.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -282.422961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.422961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.422961 (E_RNA)
where:
Base-Base interactions energy: -90.519
where: short stacking energy: -80.729
Base-Backbone interact. energy: 0.875
local terms energy: -192.778816
where:
bonds (distance) C4'-P energy: -52.786
bonds (distance) P-C4' energy: -51.463
flat angles C4'-P-C4' energy: -47.203
flat angles P-C4'-P energy: -43.079
tors. eta vs tors. theta energy: 1.752
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: 10
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -1184.731364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.731364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.731364 (E_RNA)
where:
Base-Base interactions energy: -800.453
where: short stacking energy: -349.263
Base-Backbone interact. energy: -0.581
local terms energy: -383.698113
where:
bonds (distance) C4'-P energy: -74.511
bonds (distance) P-C4' energy: -76.072
flat angles C4'-P-C4' energy: -79.966
flat angles P-C4'-P energy: -51.232
tors. eta vs tors. theta energy: -101.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -1091.836000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.836000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.836000 (E_RNA)
where:
Base-Base interactions energy: -754.474
where: short stacking energy: -316.992
Base-Backbone interact. energy: -3.033
local terms energy: -334.328539
where:
bonds (distance) C4'-P energy: -67.422
bonds (distance) P-C4' energy: -63.871
flat angles C4'-P-C4' energy: -72.656
flat angles P-C4'-P energy: -48.361
tors. eta vs tors. theta energy: -82.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -1090.610146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.610146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.610146 (E_RNA)
where:
Base-Base interactions energy: -742.612
where: short stacking energy: -326.062
Base-Backbone interact. energy: 1.148
local terms energy: -349.145676
where:
bonds (distance) C4'-P energy: -73.020
bonds (distance) P-C4' energy: -75.465
flat angles C4'-P-C4' energy: -70.177
flat angles P-C4'-P energy: -35.473
tors. eta vs tors. theta energy: -95.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -1013.790420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.790420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.790420 (E_RNA)
where:
Base-Base interactions energy: -699.698
where: short stacking energy: -302.915
Base-Backbone interact. energy: -1.474
local terms energy: -312.618019
where:
bonds (distance) C4'-P energy: -50.888
bonds (distance) P-C4' energy: -59.601
flat angles C4'-P-C4' energy: -72.900
flat angles P-C4'-P energy: -48.483
tors. eta vs tors. theta energy: -80.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -936.485621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.485621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.485621 (E_RNA)
where:
Base-Base interactions energy: -641.382
where: short stacking energy: -302.585
Base-Backbone interact. energy: 0.624
local terms energy: -295.727507
where:
bonds (distance) C4'-P energy: -51.681
bonds (distance) P-C4' energy: -40.479
flat angles C4'-P-C4' energy: -69.505
flat angles P-C4'-P energy: -34.052
tors. eta vs tors. theta energy: -100.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -982.591692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.591692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.591692 (E_RNA)
where:
Base-Base interactions energy: -650.523
where: short stacking energy: -297.144
Base-Backbone interact. energy: -2.882
local terms energy: -329.187070
where:
bonds (distance) C4'-P energy: -48.396
bonds (distance) P-C4' energy: -68.448
flat angles C4'-P-C4' energy: -78.959
flat angles P-C4'-P energy: -46.679
tors. eta vs tors. theta energy: -86.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -853.315577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.315577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.315577 (E_RNA)
where:
Base-Base interactions energy: -596.526
where: short stacking energy: -246.842
Base-Backbone interact. energy: -0.312
local terms energy: -256.477878
where:
bonds (distance) C4'-P energy: -48.886
bonds (distance) P-C4' energy: -50.533
flat angles C4'-P-C4' energy: -58.725
flat angles P-C4'-P energy: -44.553
tors. eta vs tors. theta energy: -53.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -683.838704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.838704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.838704 (E_RNA)
where:
Base-Base interactions energy: -445.454
where: short stacking energy: -217.514
Base-Backbone interact. energy: -1.885
local terms energy: -236.499561
where:
bonds (distance) C4'-P energy: -55.810
bonds (distance) P-C4' energy: -44.360
flat angles C4'-P-C4' energy: -57.021
flat angles P-C4'-P energy: -41.149
tors. eta vs tors. theta energy: -38.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -407.267400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.267400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.267400 (E_RNA)
where:
Base-Base interactions energy: -202.041
where: short stacking energy: -120.994
Base-Backbone interact. energy: 2.899
local terms energy: -208.125556
where:
bonds (distance) C4'-P energy: -49.687
bonds (distance) P-C4' energy: -57.129
flat angles C4'-P-C4' energy: -62.576
flat angles P-C4'-P energy: -27.678
tors. eta vs tors. theta energy: -11.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -287.559704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.559704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.559704 (E_RNA)
where:
Base-Base interactions energy: -105.399
where: short stacking energy: -95.514
Base-Backbone interact. energy: -0.256
local terms energy: -181.904513
where:
bonds (distance) C4'-P energy: -56.637
bonds (distance) P-C4' energy: -63.636
flat angles C4'-P-C4' energy: -33.194
flat angles P-C4'-P energy: -38.638
tors. eta vs tors. theta energy: 10.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -1173.376377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.376377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.376377 (E_RNA)
where:
Base-Base interactions energy: -821.718
where: short stacking energy: -362.473
Base-Backbone interact. energy: -2.189
local terms energy: -349.469169
where:
bonds (distance) C4'-P energy: -55.705
bonds (distance) P-C4' energy: -72.014
flat angles C4'-P-C4' energy: -74.561
flat angles P-C4'-P energy: -45.035
tors. eta vs tors. theta energy: -102.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -1095.746999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.746999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.746999 (E_RNA)
where:
Base-Base interactions energy: -771.293
where: short stacking energy: -326.956
Base-Backbone interact. energy: -2.701
local terms energy: -321.753329
where:
bonds (distance) C4'-P energy: -61.627
bonds (distance) P-C4' energy: -59.847
flat angles C4'-P-C4' energy: -68.930
flat angles P-C4'-P energy: -43.319
tors. eta vs tors. theta energy: -88.031
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: 1
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -1088.717864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.717864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.717864 (E_RNA)
where:
Base-Base interactions energy: -737.006
where: short stacking energy: -311.656
Base-Backbone interact. energy: -0.851
local terms energy: -350.860744
where:
bonds (distance) C4'-P energy: -62.032
bonds (distance) P-C4' energy: -74.246
flat angles C4'-P-C4' energy: -76.135
flat angles P-C4'-P energy: -45.809
tors. eta vs tors. theta energy: -92.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -973.019972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.019972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.019972 (E_RNA)
where:
Base-Base interactions energy: -652.944
where: short stacking energy: -292.273
Base-Backbone interact. energy: 0.029
local terms energy: -320.104927
where:
bonds (distance) C4'-P energy: -59.773
bonds (distance) P-C4' energy: -64.011
flat angles C4'-P-C4' energy: -60.815
flat angles P-C4'-P energy: -48.586
tors. eta vs tors. theta energy: -86.920
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: 4
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -958.104160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.104160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.104160 (E_RNA)
where:
Base-Base interactions energy: -651.125
where: short stacking energy: -281.765
Base-Backbone interact. energy: -0.566
local terms energy: -306.412862
where:
bonds (distance) C4'-P energy: -60.023
bonds (distance) P-C4' energy: -49.339
flat angles C4'-P-C4' energy: -58.934
flat angles P-C4'-P energy: -53.181
tors. eta vs tors. theta energy: -84.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -898.656710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.656710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.656710 (E_RNA)
where:
Base-Base interactions energy: -596.217
where: short stacking energy: -295.074
Base-Backbone interact. energy: -0.495
local terms energy: -301.944891
where:
bonds (distance) C4'-P energy: -63.288
bonds (distance) P-C4' energy: -58.804
flat angles C4'-P-C4' energy: -62.255
flat angles P-C4'-P energy: -34.205
tors. eta vs tors. theta energy: -83.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -822.387999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.387999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.387999 (E_RNA)
where:
Base-Base interactions energy: -576.837
where: short stacking energy: -228.892
Base-Backbone interact. energy: -0.695
local terms energy: -244.855985
where:
bonds (distance) C4'-P energy: -39.389
bonds (distance) P-C4' energy: -57.201
flat angles C4'-P-C4' energy: -61.536
flat angles P-C4'-P energy: -34.868
tors. eta vs tors. theta energy: -51.862
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: 8, replica: 6
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -647.578815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.578815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.578815 (E_RNA)
where:
Base-Base interactions energy: -392.270
where: short stacking energy: -176.667
Base-Backbone interact. energy: -0.866
local terms energy: -254.443603
where:
bonds (distance) C4'-P energy: -61.037
bonds (distance) P-C4' energy: -59.092
flat angles C4'-P-C4' energy: -60.633
flat angles P-C4'-P energy: -36.888
tors. eta vs tors. theta energy: -36.794
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: 190
Temperature: 1.300000
Total energy: -439.455264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.455264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.455264 (E_RNA)
where:
Base-Base interactions energy: -234.798
where: short stacking energy: -126.149
Base-Backbone interact. energy: 0.049
local terms energy: -204.706327
where:
bonds (distance) C4'-P energy: -48.199
bonds (distance) P-C4' energy: -55.470
flat angles C4'-P-C4' energy: -57.763
flat angles P-C4'-P energy: -26.542
tors. eta vs tors. theta energy: -16.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -285.406959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.406959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.406959 (E_RNA)
where:
Base-Base interactions energy: -95.670
where: short stacking energy: -73.061
Base-Backbone interact. energy: -2.329
local terms energy: -187.407931
where:
bonds (distance) C4'-P energy: -60.226
bonds (distance) P-C4' energy: -58.661
flat angles C4'-P-C4' energy: -50.972
flat angles P-C4'-P energy: -35.152
tors. eta vs tors. theta energy: 17.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -1174.959883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.959883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.959883 (E_RNA)
where:
Base-Base interactions energy: -810.965
where: short stacking energy: -349.701
Base-Backbone interact. energy: -0.843
local terms energy: -363.151743
where:
bonds (distance) C4'-P energy: -64.800
bonds (distance) P-C4' energy: -66.496
flat angles C4'-P-C4' energy: -76.252
flat angles P-C4'-P energy: -52.277
tors. eta vs tors. theta energy: -103.327
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: 8
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -1110.753689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.753689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.753689 (E_RNA)
where:
Base-Base interactions energy: -774.281
where: short stacking energy: -332.675
Base-Backbone interact. energy: -0.967
local terms energy: -335.505524
where:
bonds (distance) C4'-P energy: -69.762
bonds (distance) P-C4' energy: -64.520
flat angles C4'-P-C4' energy: -74.121
flat angles P-C4'-P energy: -49.667
tors. eta vs tors. theta energy: -77.435
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: 1
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -1055.385570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.385570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.385570 (E_RNA)
where:
Base-Base interactions energy: -728.867
where: short stacking energy: -325.129
Base-Backbone interact. energy: -0.829
local terms energy: -325.689515
where:
bonds (distance) C4'-P energy: -61.492
bonds (distance) P-C4' energy: -64.105
flat angles C4'-P-C4' energy: -68.271
flat angles P-C4'-P energy: -38.626
tors. eta vs tors. theta energy: -93.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -1028.506853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.506853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.506853 (E_RNA)
where:
Base-Base interactions energy: -717.700
where: short stacking energy: -294.866
Base-Backbone interact. energy: -0.592
local terms energy: -310.215070
where:
bonds (distance) C4'-P energy: -72.518
bonds (distance) P-C4' energy: -48.223
flat angles C4'-P-C4' energy: -60.602
flat angles P-C4'-P energy: -45.559
tors. eta vs tors. theta energy: -83.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -954.816632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.816632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.816632 (E_RNA)
where:
Base-Base interactions energy: -657.896
where: short stacking energy: -284.613
Base-Backbone interact. energy: -0.615
local terms energy: -296.305896
where:
bonds (distance) C4'-P energy: -49.703
bonds (distance) P-C4' energy: -54.887
flat angles C4'-P-C4' energy: -68.214
flat angles P-C4'-P energy: -42.313
tors. eta vs tors. theta energy: -81.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -864.944843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.944843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.944843 (E_RNA)
where:
Base-Base interactions energy: -590.531
where: short stacking energy: -256.841
Base-Backbone interact. energy: -0.639
local terms energy: -273.775206
where:
bonds (distance) C4'-P energy: -54.559
bonds (distance) P-C4' energy: -48.363
flat angles C4'-P-C4' energy: -60.526
flat angles P-C4'-P energy: -45.882
tors. eta vs tors. theta energy: -64.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -811.032255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.032255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.032255 (E_RNA)
where:
Base-Base interactions energy: -529.341
where: short stacking energy: -222.380
Base-Backbone interact. energy: -0.752
local terms energy: -280.939039
where:
bonds (distance) C4'-P energy: -60.265
bonds (distance) P-C4' energy: -65.825
flat angles C4'-P-C4' energy: -60.496
flat angles P-C4'-P energy: -41.971
tors. eta vs tors. theta energy: -52.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -649.287611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.287611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.287611 (E_RNA)
where:
Base-Base interactions energy: -398.897
where: short stacking energy: -186.115
Base-Backbone interact. energy: -1.812
local terms energy: -248.577669
where:
bonds (distance) C4'-P energy: -42.123
bonds (distance) P-C4' energy: -62.836
flat angles C4'-P-C4' energy: -56.181
flat angles P-C4'-P energy: -44.833
tors. eta vs tors. theta energy: -42.605
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: 191
Temperature: 1.300000
Total energy: -467.817956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.817956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.817956 (E_RNA)
where:
Base-Base interactions energy: -255.265
where: short stacking energy: -150.923
Base-Backbone interact. energy: 0.493
local terms energy: -213.045878
where:
bonds (distance) C4'-P energy: -50.504
bonds (distance) P-C4' energy: -61.913
flat angles C4'-P-C4' energy: -48.151
flat angles P-C4'-P energy: -29.543
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: 10, replica: 7
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -294.945134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.945134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.945134 (E_RNA)
where:
Base-Base interactions energy: -109.677
where: short stacking energy: -82.485
Base-Backbone interact. energy: -1.379
local terms energy: -183.889685
where:
bonds (distance) C4'-P energy: -51.491
bonds (distance) P-C4' energy: -55.772
flat angles C4'-P-C4' energy: -36.126
flat angles P-C4'-P energy: -33.657
tors. eta vs tors. theta energy: -6.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -1176.499205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.499205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.499205 (E_RNA)
where:
Base-Base interactions energy: -805.827
where: short stacking energy: -352.751
Base-Backbone interact. energy: -1.300
local terms energy: -369.371834
where:
bonds (distance) C4'-P energy: -66.507
bonds (distance) P-C4' energy: -68.857
flat angles C4'-P-C4' energy: -81.937
flat angles P-C4'-P energy: -48.114
tors. eta vs tors. theta energy: -103.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -1091.339247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.339247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.339247 (E_RNA)
where:
Base-Base interactions energy: -769.610
where: short stacking energy: -331.621
Base-Backbone interact. energy: -1.495
local terms energy: -320.233695
where:
bonds (distance) C4'-P energy: -56.750
bonds (distance) P-C4' energy: -67.543
flat angles C4'-P-C4' energy: -66.503
flat angles P-C4'-P energy: -41.878
tors. eta vs tors. theta energy: -87.559
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: 2
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -1044.954541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.954541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.954541 (E_RNA)
where:
Base-Base interactions energy: -724.629
where: short stacking energy: -322.757
Base-Backbone interact. energy: -0.872
local terms energy: -319.453420
where:
bonds (distance) C4'-P energy: -66.673
bonds (distance) P-C4' energy: -55.103
flat angles C4'-P-C4' energy: -71.310
flat angles P-C4'-P energy: -48.831
tors. eta vs tors. theta energy: -77.535
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: 1
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -1027.829067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.829067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.829067 (E_RNA)
where:
Base-Base interactions energy: -686.712
where: short stacking energy: -303.084
Base-Backbone interact. energy: -2.009
local terms energy: -339.107363
where:
bonds (distance) C4'-P energy: -56.538
bonds (distance) P-C4' energy: -58.364
flat angles C4'-P-C4' energy: -81.331
flat angles P-C4'-P energy: -52.165
tors. eta vs tors. theta energy: -90.710
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: 4
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -978.757254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.757254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.757254 (E_RNA)
where:
Base-Base interactions energy: -660.553
where: short stacking energy: -283.677
Base-Backbone interact. energy: -1.158
local terms energy: -317.045867
where:
bonds (distance) C4'-P energy: -57.546
bonds (distance) P-C4' energy: -61.093
flat angles C4'-P-C4' energy: -62.405
flat angles P-C4'-P energy: -49.312
tors. eta vs tors. theta energy: -86.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -825.537629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.537629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.537629 (E_RNA)
where:
Base-Base interactions energy: -546.019
where: short stacking energy: -265.998
Base-Backbone interact. energy: 0.650
local terms energy: -280.167996
where:
bonds (distance) C4'-P energy: -51.957
bonds (distance) P-C4' energy: -59.633
flat angles C4'-P-C4' energy: -61.849
flat angles P-C4'-P energy: -41.945
tors. eta vs tors. theta energy: -64.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -796.355774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.355774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.355774 (E_RNA)
where:
Base-Base interactions energy: -533.691
where: short stacking energy: -195.598
Base-Backbone interact. energy: -1.909
local terms energy: -260.755603
where:
bonds (distance) C4'-P energy: -61.375
bonds (distance) P-C4' energy: -54.753
flat angles C4'-P-C4' energy: -58.997
flat angles P-C4'-P energy: -41.639
tors. eta vs tors. theta energy: -43.992
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: 6
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -646.920017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.920017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.920017 (E_RNA)
where:
Base-Base interactions energy: -406.765
where: short stacking energy: -192.483
Base-Backbone interact. energy: 2.689
local terms energy: -242.843645
where:
bonds (distance) C4'-P energy: -55.441
bonds (distance) P-C4' energy: -55.081
flat angles C4'-P-C4' energy: -53.686
flat angles P-C4'-P energy: -40.506
tors. eta vs tors. theta energy: -38.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -462.299155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.299155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.299155 (E_RNA)
where:
Base-Base interactions energy: -241.925
where: short stacking energy: -137.012
Base-Backbone interact. energy: -0.996
local terms energy: -219.378497
where:
bonds (distance) C4'-P energy: -60.422
bonds (distance) P-C4' energy: -65.189
flat angles C4'-P-C4' energy: -47.169
flat angles P-C4'-P energy: -35.469
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: 7
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -291.009844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.009844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.009844 (E_RNA)
where:
Base-Base interactions energy: -99.415
where: short stacking energy: -78.397
Base-Backbone interact. energy: -1.576
local terms energy: -190.018448
where:
bonds (distance) C4'-P energy: -44.162
bonds (distance) P-C4' energy: -56.764
flat angles C4'-P-C4' energy: -53.551
flat angles P-C4'-P energy: -34.574
tors. eta vs tors. theta energy: -0.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -1165.570521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.570521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.570521 (E_RNA)
where:
Base-Base interactions energy: -799.758
where: short stacking energy: -347.835
Base-Backbone interact. energy: -2.275
local terms energy: -363.537345
where:
bonds (distance) C4'-P energy: -69.024
bonds (distance) P-C4' energy: -68.098
flat angles C4'-P-C4' energy: -79.353
flat angles P-C4'-P energy: -46.957
tors. eta vs tors. theta energy: -100.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -1114.309758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.309758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.309758 (E_RNA)
where:
Base-Base interactions energy: -784.265
where: short stacking energy: -327.677
Base-Backbone interact. energy: 1.380
local terms energy: -331.424550
where:
bonds (distance) C4'-P energy: -56.584
bonds (distance) P-C4' energy: -70.361
flat angles C4'-P-C4' energy: -64.186
flat angles P-C4'-P energy: -52.788
tors. eta vs tors. theta energy: -87.505
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: 3, replica: 2
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -1048.953366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.953366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.953366 (E_RNA)
where:
Base-Base interactions energy: -706.633
where: short stacking energy: -311.172
Base-Backbone interact. energy: 0.003
local terms energy: -342.323416
where:
bonds (distance) C4'-P energy: -68.340
bonds (distance) P-C4' energy: -60.462
flat angles C4'-P-C4' energy: -76.048
flat angles P-C4'-P energy: -54.486
tors. eta vs tors. theta energy: -82.986
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: 4, replica: 4
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -994.182255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.182255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.182255 (E_RNA)
where:
Base-Base interactions energy: -676.017
where: short stacking energy: -294.469
Base-Backbone interact. energy: -0.715
local terms energy: -317.450447
where:
bonds (distance) C4'-P energy: -61.147
bonds (distance) P-C4' energy: -57.630
flat angles C4'-P-C4' energy: -76.098
flat angles P-C4'-P energy: -46.514
tors. eta vs tors. theta energy: -76.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -1002.917672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.917672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.917672 (E_RNA)
where:
Base-Base interactions energy: -670.294
where: short stacking energy: -295.278
Base-Backbone interact. energy: -1.173
local terms energy: -331.450412
where:
bonds (distance) C4'-P energy: -66.807
bonds (distance) P-C4' energy: -59.807
flat angles C4'-P-C4' energy: -71.083
flat angles P-C4'-P energy: -47.821
tors. eta vs tors. theta energy: -85.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -862.128173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.128173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.128173 (E_RNA)
where:
Base-Base interactions energy: -582.976
where: short stacking energy: -230.948
Base-Backbone interact. energy: -0.321
local terms energy: -278.831307
where:
bonds (distance) C4'-P energy: -69.707
bonds (distance) P-C4' energy: -55.218
flat angles C4'-P-C4' energy: -60.690
flat angles P-C4'-P energy: -37.280
tors. eta vs tors. theta energy: -55.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -814.943861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.943861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.943861 (E_RNA)
where:
Base-Base interactions energy: -528.683
where: short stacking energy: -234.144
Base-Backbone interact. energy: -1.975
local terms energy: -284.285932
where:
bonds (distance) C4'-P energy: -59.480
bonds (distance) P-C4' energy: -65.334
flat angles C4'-P-C4' energy: -59.279
flat angles P-C4'-P energy: -37.869
tors. eta vs tors. theta energy: -62.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -641.653914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.653914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.653914 (E_RNA)
where:
Base-Base interactions energy: -378.549
where: short stacking energy: -181.953
Base-Backbone interact. energy: -0.423
local terms energy: -262.681497
where:
bonds (distance) C4'-P energy: -61.802
bonds (distance) P-C4' energy: -53.762
flat angles C4'-P-C4' energy: -67.667
flat angles P-C4'-P energy: -40.833
tors. eta vs tors. theta energy: -38.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -467.212150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.212150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.212150 (E_RNA)
where:
Base-Base interactions energy: -256.887
where: short stacking energy: -122.727
Base-Backbone interact. energy: -1.434
local terms energy: -208.890821
where:
bonds (distance) C4'-P energy: -69.141
bonds (distance) P-C4' energy: -53.966
flat angles C4'-P-C4' energy: -58.865
flat angles P-C4'-P energy: -27.039
tors. eta vs tors. theta energy: 0.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -284.585806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.585806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.585806 (E_RNA)
where:
Base-Base interactions energy: -100.423
where: short stacking energy: -80.608
Base-Backbone interact. energy: 1.600
local terms energy: -185.762046
where:
bonds (distance) C4'-P energy: -60.080
bonds (distance) P-C4' energy: -62.810
flat angles C4'-P-C4' energy: -42.667
flat angles P-C4'-P energy: -30.164
tors. eta vs tors. theta energy: 9.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -1152.949976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.949976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.949976 (E_RNA)
where:
Base-Base interactions energy: -802.547
where: short stacking energy: -354.612
Base-Backbone interact. energy: -1.599
local terms energy: -348.803946
where:
bonds (distance) C4'-P energy: -63.171
bonds (distance) P-C4' energy: -65.490
flat angles C4'-P-C4' energy: -70.991
flat angles P-C4'-P energy: -50.366
tors. eta vs tors. theta energy: -98.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -1113.523361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.523361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.523361 (E_RNA)
where:
Base-Base interactions energy: -779.409
where: short stacking energy: -334.090
Base-Backbone interact. energy: -1.143
local terms energy: -332.970850
where:
bonds (distance) C4'-P energy: -56.597
bonds (distance) P-C4' energy: -71.481
flat angles C4'-P-C4' energy: -71.873
flat angles P-C4'-P energy: -49.862
tors. eta vs tors. theta energy: -83.157
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: 2
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -1082.814825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.814825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.814825 (E_RNA)
where:
Base-Base interactions energy: -730.985
where: short stacking energy: -324.523
Base-Backbone interact. energy: -0.972
local terms energy: -350.858112
where:
bonds (distance) C4'-P energy: -61.871
bonds (distance) P-C4' energy: -69.840
flat angles C4'-P-C4' energy: -69.898
flat angles P-C4'-P energy: -56.379
tors. eta vs tors. theta energy: -92.870
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: 4
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -993.521017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.521017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.521017 (E_RNA)
where:
Base-Base interactions energy: -675.825
where: short stacking energy: -302.129
Base-Backbone interact. energy: -1.380
local terms energy: -316.315636
where:
bonds (distance) C4'-P energy: -57.305
bonds (distance) P-C4' energy: -61.691
flat angles C4'-P-C4' energy: -68.717
flat angles P-C4'-P energy: -48.617
tors. eta vs tors. theta energy: -79.985
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: 5, replica: 1
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -1001.688078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.688078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.688078 (E_RNA)
where:
Base-Base interactions energy: -685.039
where: short stacking energy: -293.575
Base-Backbone interact. energy: -0.493
local terms energy: -316.155844
where:
bonds (distance) C4'-P energy: -55.372
bonds (distance) P-C4' energy: -51.026
flat angles C4'-P-C4' energy: -76.656
flat angles P-C4'-P energy: -45.682
tors. eta vs tors. theta energy: -87.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -841.775522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.775522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.775522 (E_RNA)
where:
Base-Base interactions energy: -547.490
where: short stacking energy: -244.419
Base-Backbone interact. energy: -0.179
local terms energy: -294.107246
where:
bonds (distance) C4'-P energy: -70.343
bonds (distance) P-C4' energy: -61.451
flat angles C4'-P-C4' energy: -64.447
flat angles P-C4'-P energy: -33.078
tors. eta vs tors. theta energy: -64.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -843.345135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.345135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.345135 (E_RNA)
where:
Base-Base interactions energy: -563.957
where: short stacking energy: -235.176
Base-Backbone interact. energy: -1.446
local terms energy: -277.942645
where:
bonds (distance) C4'-P energy: -58.194
bonds (distance) P-C4' energy: -54.780
flat angles C4'-P-C4' energy: -60.425
flat angles P-C4'-P energy: -41.760
tors. eta vs tors. theta energy: -62.784
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: 6
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -617.941893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.941893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.941893 (E_RNA)
where:
Base-Base interactions energy: -385.240
where: short stacking energy: -171.466
Base-Backbone interact. energy: -1.002
local terms energy: -231.700083
where:
bonds (distance) C4'-P energy: -64.349
bonds (distance) P-C4' energy: -59.493
flat angles C4'-P-C4' energy: -54.170
flat angles P-C4'-P energy: -27.426
tors. eta vs tors. theta energy: -26.262
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: 9, replica: 5
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -447.528037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.528037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.528037 (E_RNA)
where:
Base-Base interactions energy: -238.675
where: short stacking energy: -135.078
Base-Backbone interact. energy: -1.403
local terms energy: -207.449642
where:
bonds (distance) C4'-P energy: -57.974
bonds (distance) P-C4' energy: -53.508
flat angles C4'-P-C4' energy: -55.768
flat angles P-C4'-P energy: -29.196
tors. eta vs tors. theta energy: -11.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -271.741531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.741531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.741531 (E_RNA)
where:
Base-Base interactions energy: -94.244
where: short stacking energy: -81.215
Base-Backbone interact. energy: 2.096
local terms energy: -179.594152
where:
bonds (distance) C4'-P energy: -65.113
bonds (distance) P-C4' energy: -51.847
flat angles C4'-P-C4' energy: -49.216
flat angles P-C4'-P energy: -20.318
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: 10
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -1158.127594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.127594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.127594 (E_RNA)
where:
Base-Base interactions energy: -800.588
where: short stacking energy: -365.526
Base-Backbone interact. energy: 1.218
local terms energy: -358.756984
where:
bonds (distance) C4'-P energy: -62.976
bonds (distance) P-C4' energy: -67.981
flat angles C4'-P-C4' energy: -73.764
flat angles P-C4'-P energy: -48.538
tors. eta vs tors. theta energy: -105.498
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: 2, replica: 8
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -1104.224942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.224942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.224942 (E_RNA)
where:
Base-Base interactions energy: -775.487
where: short stacking energy: -332.750
Base-Backbone interact. energy: -2.051
local terms energy: -326.687302
where:
bonds (distance) C4'-P energy: -57.451
bonds (distance) P-C4' energy: -71.046
flat angles C4'-P-C4' energy: -69.681
flat angles P-C4'-P energy: -45.415
tors. eta vs tors. theta energy: -83.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -1053.855982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.855982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.855982 (E_RNA)
where:
Base-Base interactions energy: -735.712
where: short stacking energy: -313.628
Base-Backbone interact. energy: 0.461
local terms energy: -318.605237
where:
bonds (distance) C4'-P energy: -60.421
bonds (distance) P-C4' energy: -56.019
flat angles C4'-P-C4' energy: -69.632
flat angles P-C4'-P energy: -39.409
tors. eta vs tors. theta energy: -93.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -1037.738499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.738499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.738499 (E_RNA)
where:
Base-Base interactions energy: -710.245
where: short stacking energy: -323.162
Base-Backbone interact. energy: -2.412
local terms energy: -325.080667
where:
bonds (distance) C4'-P energy: -61.605
bonds (distance) P-C4' energy: -56.460
flat angles C4'-P-C4' energy: -74.494
flat angles P-C4'-P energy: -44.073
tors. eta vs tors. theta energy: -88.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -988.082215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.082215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.082215 (E_RNA)
where:
Base-Base interactions energy: -654.844
where: short stacking energy: -297.197
Base-Backbone interact. energy: 0.895
local terms energy: -334.133769
where:
bonds (distance) C4'-P energy: -61.950
bonds (distance) P-C4' energy: -63.267
flat angles C4'-P-C4' energy: -77.015
flat angles P-C4'-P energy: -48.103
tors. eta vs tors. theta energy: -83.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -804.908512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.908512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.908512 (E_RNA)
where:
Base-Base interactions energy: -523.063
where: short stacking energy: -230.601
Base-Backbone interact. energy: 0.218
local terms energy: -282.063421
where:
bonds (distance) C4'-P energy: -66.354
bonds (distance) P-C4' energy: -50.544
flat angles C4'-P-C4' energy: -69.567
flat angles P-C4'-P energy: -46.502
tors. eta vs tors. theta energy: -49.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -828.976532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.976532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.976532 (E_RNA)
where:
Base-Base interactions energy: -551.414
where: short stacking energy: -228.362
Base-Backbone interact. energy: -0.564
local terms energy: -276.998316
where:
bonds (distance) C4'-P energy: -64.149
bonds (distance) P-C4' energy: -58.651
flat angles C4'-P-C4' energy: -59.867
flat angles P-C4'-P energy: -38.173
tors. eta vs tors. theta energy: -56.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -633.550435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.550435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.550435 (E_RNA)
where:
Base-Base interactions energy: -404.371
where: short stacking energy: -191.305
Base-Backbone interact. energy: -0.282
local terms energy: -228.898196
where:
bonds (distance) C4'-P energy: -52.045
bonds (distance) P-C4' energy: -44.539
flat angles C4'-P-C4' energy: -57.169
flat angles P-C4'-P energy: -34.888
tors. eta vs tors. theta energy: -40.257
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: 195
Temperature: 1.300000
Total energy: -465.657688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.657688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.657688 (E_RNA)
where:
Base-Base interactions energy: -261.268
where: short stacking energy: -121.786
Base-Backbone interact. energy: 0.376
local terms energy: -204.765932
where:
bonds (distance) C4'-P energy: -54.833
bonds (distance) P-C4' energy: -63.848
flat angles C4'-P-C4' energy: -42.132
flat angles P-C4'-P energy: -35.113
tors. eta vs tors. theta energy: -8.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -368.078536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.078536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.078536 (E_RNA)
where:
Base-Base interactions energy: -196.703
where: short stacking energy: -110.141
Base-Backbone interact. energy: 1.237
local terms energy: -172.612264
where:
bonds (distance) C4'-P energy: -45.908
bonds (distance) P-C4' energy: -58.406
flat angles C4'-P-C4' energy: -42.314
flat angles P-C4'-P energy: -28.779
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: 1, replica: 10
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -1165.297595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.297595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.297595 (E_RNA)
where:
Base-Base interactions energy: -798.001
where: short stacking energy: -362.372
Base-Backbone interact. energy: -1.732
local terms energy: -365.564766
where:
bonds (distance) C4'-P energy: -67.461
bonds (distance) P-C4' energy: -62.512
flat angles C4'-P-C4' energy: -76.183
flat angles P-C4'-P energy: -49.376
tors. eta vs tors. theta energy: -110.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -1093.554498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.554498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.554498 (E_RNA)
where:
Base-Base interactions energy: -743.710
where: short stacking energy: -332.572
Base-Backbone interact. energy: -1.483
local terms energy: -348.361723
where:
bonds (distance) C4'-P energy: -60.203
bonds (distance) P-C4' energy: -67.059
flat angles C4'-P-C4' energy: -74.384
flat angles P-C4'-P energy: -61.120
tors. eta vs tors. theta energy: -85.596
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: 196
Temperature: 1.000000
Total energy: -1089.004579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.004579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.004579 (E_RNA)
where:
Base-Base interactions energy: -743.399
where: short stacking energy: -332.232
Base-Backbone interact. energy: 0.664
local terms energy: -346.270217
where:
bonds (distance) C4'-P energy: -70.465
bonds (distance) P-C4' energy: -55.475
flat angles C4'-P-C4' energy: -68.156
flat angles P-C4'-P energy: -52.428
tors. eta vs tors. theta energy: -99.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -1021.568965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.568965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.568965 (E_RNA)
where:
Base-Base interactions energy: -697.521
where: short stacking energy: -302.863
Base-Backbone interact. energy: -0.427
local terms energy: -323.621415
where:
bonds (distance) C4'-P energy: -59.612
bonds (distance) P-C4' energy: -65.801
flat angles C4'-P-C4' energy: -64.765
flat angles P-C4'-P energy: -41.272
tors. eta vs tors. theta energy: -92.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -949.111619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.111619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.111619 (E_RNA)
where:
Base-Base interactions energy: -653.101
where: short stacking energy: -284.601
Base-Backbone interact. energy: 2.322
local terms energy: -298.332494
where:
bonds (distance) C4'-P energy: -55.637
bonds (distance) P-C4' energy: -63.385
flat angles C4'-P-C4' energy: -59.889
flat angles P-C4'-P energy: -45.342
tors. eta vs tors. theta energy: -74.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -833.672282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.672282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.672282 (E_RNA)
where:
Base-Base interactions energy: -529.664
where: short stacking energy: -223.901
Base-Backbone interact. energy: -0.715
local terms energy: -303.293740
where:
bonds (distance) C4'-P energy: -63.533
bonds (distance) P-C4' energy: -69.302
flat angles C4'-P-C4' energy: -67.113
flat angles P-C4'-P energy: -43.696
tors. eta vs tors. theta energy: -59.650
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: 9
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -824.045118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.045118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.045118 (E_RNA)
where:
Base-Base interactions energy: -544.412
where: short stacking energy: -238.309
Base-Backbone interact. energy: -0.932
local terms energy: -278.700780
where:
bonds (distance) C4'-P energy: -60.857
bonds (distance) P-C4' energy: -53.895
flat angles C4'-P-C4' energy: -63.336
flat angles P-C4'-P energy: -42.319
tors. eta vs tors. theta energy: -58.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -680.984812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.984812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.984812 (E_RNA)
where:
Base-Base interactions energy: -422.458
where: short stacking energy: -184.132
Base-Backbone interact. energy: 0.936
local terms energy: -259.462653
where:
bonds (distance) C4'-P energy: -53.727
bonds (distance) P-C4' energy: -68.639
flat angles C4'-P-C4' energy: -64.655
flat angles P-C4'-P energy: -27.364
tors. eta vs tors. theta energy: -45.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -445.368087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.368087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.368087 (E_RNA)
where:
Base-Base interactions energy: -235.272
where: short stacking energy: -139.756
Base-Backbone interact. energy: -1.319
local terms energy: -208.777839
where:
bonds (distance) C4'-P energy: -50.685
bonds (distance) P-C4' energy: -46.193
flat angles C4'-P-C4' energy: -57.420
flat angles P-C4'-P energy: -40.179
tors. eta vs tors. theta energy: -14.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -360.709480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.709480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.709480 (E_RNA)
where:
Base-Base interactions energy: -169.302
where: short stacking energy: -102.864
Base-Backbone interact. energy: -0.855
local terms energy: -190.552091
where:
bonds (distance) C4'-P energy: -47.132
bonds (distance) P-C4' energy: -54.264
flat angles C4'-P-C4' energy: -65.088
flat angles P-C4'-P energy: -24.393
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: 197
Temperature: 0.900000
Total energy: -1156.598802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.598802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.598802 (E_RNA)
where:
Base-Base interactions energy: -803.252
where: short stacking energy: -347.926
Base-Backbone interact. energy: -0.568
local terms energy: -352.779162
where:
bonds (distance) C4'-P energy: -62.138
bonds (distance) P-C4' energy: -59.353
flat angles C4'-P-C4' energy: -75.013
flat angles P-C4'-P energy: -50.772
tors. eta vs tors. theta energy: -105.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -1110.381011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.381011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.381011 (E_RNA)
where:
Base-Base interactions energy: -761.635
where: short stacking energy: -334.517
Base-Backbone interact. energy: -0.404
local terms energy: -348.341952
where:
bonds (distance) C4'-P energy: -60.913
bonds (distance) P-C4' energy: -65.288
flat angles C4'-P-C4' energy: -79.353
flat angles P-C4'-P energy: -48.587
tors. eta vs tors. theta energy: -94.201
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: 8
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -1067.305695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.305695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.305695 (E_RNA)
where:
Base-Base interactions energy: -737.549
where: short stacking energy: -297.946
Base-Backbone interact. energy: -1.220
local terms energy: -328.536174
where:
bonds (distance) C4'-P energy: -55.584
bonds (distance) P-C4' energy: -76.910
flat angles C4'-P-C4' energy: -63.161
flat angles P-C4'-P energy: -44.783
tors. eta vs tors. theta energy: -88.098
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: 4, replica: 1
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -1011.832257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.832257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.832257 (E_RNA)
where:
Base-Base interactions energy: -707.384
where: short stacking energy: -311.950
Base-Backbone interact. energy: -0.631
local terms energy: -303.817017
where:
bonds (distance) C4'-P energy: -57.762
bonds (distance) P-C4' energy: -59.054
flat angles C4'-P-C4' energy: -66.551
flat angles P-C4'-P energy: -42.219
tors. eta vs tors. theta energy: -78.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -974.959698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.959698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.959698 (E_RNA)
where:
Base-Base interactions energy: -656.803
where: short stacking energy: -297.999
Base-Backbone interact. energy: -1.940
local terms energy: -316.216946
where:
bonds (distance) C4'-P energy: -68.405
bonds (distance) P-C4' energy: -62.327
flat angles C4'-P-C4' energy: -58.679
flat angles P-C4'-P energy: -46.966
tors. eta vs tors. theta energy: -79.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -843.039558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.039558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.039558 (E_RNA)
where:
Base-Base interactions energy: -563.104
where: short stacking energy: -230.467
Base-Backbone interact. energy: 3.501
local terms energy: -283.436835
where:
bonds (distance) C4'-P energy: -68.036
bonds (distance) P-C4' energy: -56.935
flat angles C4'-P-C4' energy: -65.899
flat angles P-C4'-P energy: -35.860
tors. eta vs tors. theta energy: -56.707
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: 197
Temperature: 1.200000
Total energy: -823.204040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.204040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.204040 (E_RNA)
where:
Base-Base interactions energy: -550.190
where: short stacking energy: -245.258
Base-Backbone interact. energy: 0.113
local terms energy: -273.127207
where:
bonds (distance) C4'-P energy: -53.101
bonds (distance) P-C4' energy: -55.534
flat angles C4'-P-C4' energy: -63.248
flat angles P-C4'-P energy: -42.079
tors. eta vs tors. theta energy: -59.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -654.443980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.443980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.443980 (E_RNA)
where:
Base-Base interactions energy: -405.243
where: short stacking energy: -193.000
Base-Backbone interact. energy: 3.420
local terms energy: -252.620916
where:
bonds (distance) C4'-P energy: -53.947
bonds (distance) P-C4' energy: -62.469
flat angles C4'-P-C4' energy: -47.945
flat angles P-C4'-P energy: -48.859
tors. eta vs tors. theta energy: -39.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -456.648075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.648075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.648075 (E_RNA)
where:
Base-Base interactions energy: -232.795
where: short stacking energy: -133.159
Base-Backbone interact. energy: 2.927
local terms energy: -226.779196
where:
bonds (distance) C4'-P energy: -59.959
bonds (distance) P-C4' energy: -67.291
flat angles C4'-P-C4' energy: -50.566
flat angles P-C4'-P energy: -26.948
tors. eta vs tors. theta energy: -22.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -354.061525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.061525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.061525 (E_RNA)
where:
Base-Base interactions energy: -159.339
where: short stacking energy: -93.942
Base-Backbone interact. energy: -0.736
local terms energy: -193.985801
where:
bonds (distance) C4'-P energy: -47.910
bonds (distance) P-C4' energy: -63.049
flat angles C4'-P-C4' energy: -51.066
flat angles P-C4'-P energy: -30.730
tors. eta vs tors. theta energy: -1.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -1148.713406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.713406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.713406 (E_RNA)
where:
Base-Base interactions energy: -778.855
where: short stacking energy: -350.182
Base-Backbone interact. energy: -2.413
local terms energy: -367.445652
where:
bonds (distance) C4'-P energy: -67.002
bonds (distance) P-C4' energy: -66.388
flat angles C4'-P-C4' energy: -75.000
flat angles P-C4'-P energy: -49.490
tors. eta vs tors. theta energy: -109.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -1121.416682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.416682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.416682 (E_RNA)
where:
Base-Base interactions energy: -771.695
where: short stacking energy: -332.539
Base-Backbone interact. energy: -0.395
local terms energy: -349.326539
where:
bonds (distance) C4'-P energy: -57.196
bonds (distance) P-C4' energy: -63.873
flat angles C4'-P-C4' energy: -74.095
flat angles P-C4'-P energy: -55.328
tors. eta vs tors. theta energy: -98.834
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: 8
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -1080.036480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.036480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.036480 (E_RNA)
where:
Base-Base interactions energy: -742.855
where: short stacking energy: -318.139
Base-Backbone interact. energy: -2.924
local terms energy: -334.257638
where:
bonds (distance) C4'-P energy: -57.102
bonds (distance) P-C4' energy: -67.572
flat angles C4'-P-C4' energy: -76.703
flat angles P-C4'-P energy: -46.873
tors. eta vs tors. theta energy: -86.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -1018.410505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.410505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.410505 (E_RNA)
where:
Base-Base interactions energy: -705.176
where: short stacking energy: -308.433
Base-Backbone interact. energy: -1.445
local terms energy: -311.789157
where:
bonds (distance) C4'-P energy: -55.266
bonds (distance) P-C4' energy: -59.384
flat angles C4'-P-C4' energy: -71.612
flat angles P-C4'-P energy: -47.103
tors. eta vs tors. theta energy: -78.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -936.641085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.641085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.641085 (E_RNA)
where:
Base-Base interactions energy: -649.220
where: short stacking energy: -297.688
Base-Backbone interact. energy: -1.026
local terms energy: -286.394910
where:
bonds (distance) C4'-P energy: -54.262
bonds (distance) P-C4' energy: -61.211
flat angles C4'-P-C4' energy: -56.491
flat angles P-C4'-P energy: -34.522
tors. eta vs tors. theta energy: -79.909
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: 9
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -902.094754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.094754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.094754 (E_RNA)
where:
Base-Base interactions energy: -629.120
where: short stacking energy: -266.760
Base-Backbone interact. energy: -1.189
local terms energy: -271.786386
where:
bonds (distance) C4'-P energy: -48.289
bonds (distance) P-C4' energy: -54.488
flat angles C4'-P-C4' energy: -62.569
flat angles P-C4'-P energy: -38.370
tors. eta vs tors. theta energy: -68.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -824.643920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.643920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.643920 (E_RNA)
where:
Base-Base interactions energy: -526.732
where: short stacking energy: -229.503
Base-Backbone interact. energy: -0.323
local terms energy: -297.588837
where:
bonds (distance) C4'-P energy: -61.878
bonds (distance) P-C4' energy: -66.444
flat angles C4'-P-C4' energy: -61.410
flat angles P-C4'-P energy: -48.773
tors. eta vs tors. theta energy: -59.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -674.222905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.222905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.222905 (E_RNA)
where:
Base-Base interactions energy: -423.303
where: short stacking energy: -197.646
Base-Backbone interact. energy: -1.307
local terms energy: -249.612876
where:
bonds (distance) C4'-P energy: -52.979
bonds (distance) P-C4' energy: -67.302
flat angles C4'-P-C4' energy: -66.190
flat angles P-C4'-P energy: -19.653
tors. eta vs tors. theta energy: -43.489
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: 5
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -469.155981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.155981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.155981 (E_RNA)
where:
Base-Base interactions energy: -250.438
where: short stacking energy: -141.314
Base-Backbone interact. energy: -0.453
local terms energy: -218.265791
where:
bonds (distance) C4'-P energy: -57.324
bonds (distance) P-C4' energy: -55.629
flat angles C4'-P-C4' energy: -50.968
flat angles P-C4'-P energy: -41.521
tors. eta vs tors. theta energy: -12.825
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: 7
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -331.239088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.239088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.239088 (E_RNA)
where:
Base-Base interactions energy: -125.251
where: short stacking energy: -68.360
Base-Backbone interact. energy: -2.818
local terms energy: -203.170582
where:
bonds (distance) C4'-P energy: -65.677
bonds (distance) P-C4' energy: -64.876
flat angles C4'-P-C4' energy: -46.150
flat angles P-C4'-P energy: -28.478
tors. eta vs tors. theta energy: 2.012
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: 10
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -1155.239942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.239942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.239942 (E_RNA)
where:
Base-Base interactions energy: -792.097
where: short stacking energy: -356.938
Base-Backbone interact. energy: -0.535
local terms energy: -362.607243
where:
bonds (distance) C4'-P energy: -65.109
bonds (distance) P-C4' energy: -70.969
flat angles C4'-P-C4' energy: -71.155
flat angles P-C4'-P energy: -55.700
tors. eta vs tors. theta energy: -99.674
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: 199
Temperature: 0.950000
Total energy: -1133.915803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.915803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.915803 (E_RNA)
where:
Base-Base interactions energy: -783.998
where: short stacking energy: -341.665
Base-Backbone interact. energy: -0.951
local terms energy: -348.966906
where:
bonds (distance) C4'-P energy: -74.915
bonds (distance) P-C4' energy: -62.605
flat angles C4'-P-C4' energy: -71.929
flat angles P-C4'-P energy: -49.276
tors. eta vs tors. theta energy: -90.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -1058.446096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.446096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.446096 (E_RNA)
where:
Base-Base interactions energy: -731.486
where: short stacking energy: -315.769
Base-Backbone interact. energy: -1.078
local terms energy: -325.882866
where:
bonds (distance) C4'-P energy: -71.243
bonds (distance) P-C4' energy: -50.624
flat angles C4'-P-C4' energy: -73.349
flat angles P-C4'-P energy: -48.567
tors. eta vs tors. theta energy: -82.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -1008.299097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.299097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.299097 (E_RNA)
where:
Base-Base interactions energy: -687.600
where: short stacking energy: -314.512
Base-Backbone interact. energy: -0.191
local terms energy: -320.507513
where:
bonds (distance) C4'-P energy: -53.721
bonds (distance) P-C4' energy: -71.554
flat angles C4'-P-C4' energy: -72.776
flat angles P-C4'-P energy: -36.970
tors. eta vs tors. theta energy: -85.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -992.693340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.693340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.693340 (E_RNA)
where:
Base-Base interactions energy: -691.139
where: short stacking energy: -303.599
Base-Backbone interact. energy: -0.579
local terms energy: -300.975671
where:
bonds (distance) C4'-P energy: -48.645
bonds (distance) P-C4' energy: -57.842
flat angles C4'-P-C4' energy: -69.295
flat angles P-C4'-P energy: -41.824
tors. eta vs tors. theta energy: -83.370
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: 9
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -909.195892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.195892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.195892 (E_RNA)
where:
Base-Base interactions energy: -619.505
where: short stacking energy: -247.358
Base-Backbone interact. energy: -1.792
local terms energy: -287.899598
where:
bonds (distance) C4'-P energy: -52.281
bonds (distance) P-C4' energy: -60.764
flat angles C4'-P-C4' energy: -62.545
flat angles P-C4'-P energy: -47.685
tors. eta vs tors. theta energy: -64.625
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: 3
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -829.471159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.471159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.471159 (E_RNA)
where:
Base-Base interactions energy: -558.789
where: short stacking energy: -249.299
Base-Backbone interact. energy: -1.685
local terms energy: -268.996743
where:
bonds (distance) C4'-P energy: -53.289
bonds (distance) P-C4' energy: -57.631
flat angles C4'-P-C4' energy: -52.560
flat angles P-C4'-P energy: -43.110
tors. eta vs tors. theta energy: -62.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -644.583928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.583928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.583928 (E_RNA)
where:
Base-Base interactions energy: -406.942
where: short stacking energy: -195.038
Base-Backbone interact. energy: 1.610
local terms energy: -239.251182
where:
bonds (distance) C4'-P energy: -56.551
bonds (distance) P-C4' energy: -62.078
flat angles C4'-P-C4' energy: -52.422
flat angles P-C4'-P energy: -34.033
tors. eta vs tors. theta energy: -34.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -421.073187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.073187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.073187 (E_RNA)
where:
Base-Base interactions energy: -224.577
where: short stacking energy: -129.475
Base-Backbone interact. energy: 0.052
local terms energy: -196.548849
where:
bonds (distance) C4'-P energy: -41.707
bonds (distance) P-C4' energy: -57.159
flat angles C4'-P-C4' energy: -47.846
flat angles P-C4'-P energy: -25.366
tors. eta vs tors. theta energy: -24.471
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: 10, replica: 7
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -334.901603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.901603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.901603 (E_RNA)
where:
Base-Base interactions energy: -152.344
where: short stacking energy: -89.052
Base-Backbone interact. energy: 1.423
local terms energy: -183.980698
where:
bonds (distance) C4'-P energy: -59.630
bonds (distance) P-C4' energy: -56.490
flat angles C4'-P-C4' energy: -45.592
flat angles P-C4'-P energy: -20.677
tors. eta vs tors. theta energy: -1.591
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: 10
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -1155.825861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.825861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.825861 (E_RNA)
where:
Base-Base interactions energy: -793.207
where: short stacking energy: -346.209
Base-Backbone interact. energy: -3.251
local terms energy: -359.368207
where:
bonds (distance) C4'-P energy: -58.309
bonds (distance) P-C4' energy: -74.830
flat angles C4'-P-C4' energy: -66.372
flat angles P-C4'-P energy: -60.952
tors. eta vs tors. theta energy: -98.905
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: 2
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -1111.540475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.540475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.540475 (E_RNA)
where:
Base-Base interactions energy: -776.199
where: short stacking energy: -338.617
Base-Backbone interact. energy: 1.197
local terms energy: -336.538719
where:
bonds (distance) C4'-P energy: -61.823
bonds (distance) P-C4' energy: -68.505
flat angles C4'-P-C4' energy: -62.180
flat angles P-C4'-P energy: -50.665
tors. eta vs tors. theta energy: -93.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -1070.522380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.522380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.522380 (E_RNA)
where:
Base-Base interactions energy: -738.514
where: short stacking energy: -319.190
Base-Backbone interact. energy: -0.599
local terms energy: -331.409059
where:
bonds (distance) C4'-P energy: -58.913
bonds (distance) P-C4' energy: -56.161
flat angles C4'-P-C4' energy: -74.937
flat angles P-C4'-P energy: -52.503
tors. eta vs tors. theta energy: -88.895
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: 1
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -1000.263604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.263604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.263604 (E_RNA)
where:
Base-Base interactions energy: -674.642
where: short stacking energy: -291.177
Base-Backbone interact. energy: -0.824
local terms energy: -324.797367
where:
bonds (distance) C4'-P energy: -59.630
bonds (distance) P-C4' energy: -63.460
flat angles C4'-P-C4' energy: -70.145
flat angles P-C4'-P energy: -43.364
tors. eta vs tors. theta energy: -88.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -1012.148384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.148384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.148384 (E_RNA)
where:
Base-Base interactions energy: -687.172
where: short stacking energy: -268.624
Base-Backbone interact. energy: -2.300
local terms energy: -322.677083
where:
bonds (distance) C4'-P energy: -60.214
bonds (distance) P-C4' energy: -72.939
flat angles C4'-P-C4' energy: -66.640
flat angles P-C4'-P energy: -49.644
tors. eta vs tors. theta energy: -73.240
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: 9
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -923.783222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.783222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.783222 (E_RNA)
where:
Base-Base interactions energy: -649.302
where: short stacking energy: -254.747
Base-Backbone interact. energy: -1.523
local terms energy: -272.957814
where:
bonds (distance) C4'-P energy: -56.460
bonds (distance) P-C4' energy: -64.483
flat angles C4'-P-C4' energy: -55.782
flat angles P-C4'-P energy: -42.718
tors. eta vs tors. theta energy: -53.514
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: 3
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -832.679976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.679976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.679976 (E_RNA)
where:
Base-Base interactions energy: -569.284
where: short stacking energy: -247.450
Base-Backbone interact. energy: 3.757
local terms energy: -267.153553
where:
bonds (distance) C4'-P energy: -53.156
bonds (distance) P-C4' energy: -53.272
flat angles C4'-P-C4' energy: -54.804
flat angles P-C4'-P energy: -50.119
tors. eta vs tors. theta energy: -55.804
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: 6
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -656.281050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.281050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.281050 (E_RNA)
where:
Base-Base interactions energy: -421.083
where: short stacking energy: -212.396
Base-Backbone interact. energy: 6.615
local terms energy: -241.813325
where:
bonds (distance) C4'-P energy: -49.127
bonds (distance) P-C4' energy: -65.502
flat angles C4'-P-C4' energy: -56.693
flat angles P-C4'-P energy: -28.080
tors. eta vs tors. theta energy: -42.411
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: 9, replica: 7
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -369.088042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.088042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.088042 (E_RNA)
where:
Base-Base interactions energy: -144.661
where: short stacking energy: -89.307
Base-Backbone interact. energy: 5.583
local terms energy: -230.010664
where:
bonds (distance) C4'-P energy: -61.125
bonds (distance) P-C4' energy: -69.175
flat angles C4'-P-C4' energy: -58.436
flat angles P-C4'-P energy: -38.201
tors. eta vs tors. theta energy: -3.074
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: 10, replica: 5
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -367.239331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.239331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.239331 (E_RNA)
where:
Base-Base interactions energy: -178.207
where: short stacking energy: -94.714
Base-Backbone interact. energy: -1.504
local terms energy: -187.528641
where:
bonds (distance) C4'-P energy: -53.931
bonds (distance) P-C4' energy: -61.507
flat angles C4'-P-C4' energy: -48.175
flat angles P-C4'-P energy: -37.021
tors. eta vs tors. theta energy: 13.106
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: 1, replica: 10
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -1158.640862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.640862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.640862 (E_RNA)
where:
Base-Base interactions energy: -799.474
where: short stacking energy: -348.184
Base-Backbone interact. energy: -1.391
local terms energy: -357.776050
where:
bonds (distance) C4'-P energy: -66.026
bonds (distance) P-C4' energy: -67.685
flat angles C4'-P-C4' energy: -74.699
flat angles P-C4'-P energy: -49.226
tors. eta vs tors. theta energy: -100.140
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: 2
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -1115.806789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.806789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.806789 (E_RNA)
where:
Base-Base interactions energy: -764.287
where: short stacking energy: -334.047
Base-Backbone interact. energy: -0.661
local terms energy: -350.857999
where:
bonds (distance) C4'-P energy: -70.034
bonds (distance) P-C4' energy: -71.824
flat angles C4'-P-C4' energy: -62.999
flat angles P-C4'-P energy: -47.877
tors. eta vs tors. theta energy: -98.125
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: 8
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -1084.550144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.550144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.550144 (E_RNA)
where:
Base-Base interactions energy: -744.206
where: short stacking energy: -322.697
Base-Backbone interact. energy: -0.093
local terms energy: -340.250559
where:
bonds (distance) C4'-P energy: -70.541
bonds (distance) P-C4' energy: -58.968
flat angles C4'-P-C4' energy: -69.401
flat angles P-C4'-P energy: -56.203
tors. eta vs tors. theta energy: -85.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -999.164239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.164239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.164239 (E_RNA)
where:
Base-Base interactions energy: -675.189
where: short stacking energy: -310.844
Base-Backbone interact. energy: -0.660
local terms energy: -323.315278
where:
bonds (distance) C4'-P energy: -47.463
bonds (distance) P-C4' energy: -65.327
flat angles C4'-P-C4' energy: -69.225
flat angles P-C4'-P energy: -46.667
tors. eta vs tors. theta energy: -94.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -977.161153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.161153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.161153 (E_RNA)
where:
Base-Base interactions energy: -667.305
where: short stacking energy: -287.013
Base-Backbone interact. energy: -0.980
local terms energy: -308.876846
where:
bonds (distance) C4'-P energy: -63.856
bonds (distance) P-C4' energy: -59.420
flat angles C4'-P-C4' energy: -64.458
flat angles P-C4'-P energy: -35.363
tors. eta vs tors. theta energy: -85.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -924.790475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.790475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.790475 (E_RNA)
where:
Base-Base interactions energy: -639.302
where: short stacking energy: -249.060
Base-Backbone interact. energy: -0.707
local terms energy: -284.780781
where:
bonds (distance) C4'-P energy: -61.440
bonds (distance) P-C4' energy: -58.264
flat angles C4'-P-C4' energy: -68.228
flat angles P-C4'-P energy: -39.562
tors. eta vs tors. theta energy: -57.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -845.479088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.479088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.479088 (E_RNA)
where:
Base-Base interactions energy: -562.462
where: short stacking energy: -259.294
Base-Backbone interact. energy: 1.288
local terms energy: -284.304834
where:
bonds (distance) C4'-P energy: -35.506
bonds (distance) P-C4' energy: -60.988
flat angles C4'-P-C4' energy: -70.276
flat angles P-C4'-P energy: -45.860
tors. eta vs tors. theta energy: -71.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -659.671549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.671549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.671549 (E_RNA)
where:
Base-Base interactions energy: -410.587
where: short stacking energy: -199.023
Base-Backbone interact. energy: -0.151
local terms energy: -248.933540
where:
bonds (distance) C4'-P energy: -63.513
bonds (distance) P-C4' energy: -57.837
flat angles C4'-P-C4' energy: -58.616
flat angles P-C4'-P energy: -25.213
tors. eta vs tors. theta energy: -43.754
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: 7
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -366.431396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.431396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.431396 (E_RNA)
where:
Base-Base interactions energy: -166.318
where: short stacking energy: -123.960
Base-Backbone interact. energy: -1.638
local terms energy: -198.475734
where:
bonds (distance) C4'-P energy: -47.570
bonds (distance) P-C4' energy: -54.761
flat angles C4'-P-C4' energy: -40.046
flat angles P-C4'-P energy: -41.945
tors. eta vs tors. theta energy: -14.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -381.310883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.310883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.310883 (E_RNA)
where:
Base-Base interactions energy: -195.875
where: short stacking energy: -104.199
Base-Backbone interact. energy: 2.917
local terms energy: -188.353398
where:
bonds (distance) C4'-P energy: -57.215
bonds (distance) P-C4' energy: -61.611
flat angles C4'-P-C4' energy: -51.234
flat angles P-C4'-P energy: -22.075
tors. eta vs tors. theta energy: 3.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -1151.283539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.283539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.283539 (E_RNA)
where:
Base-Base interactions energy: -789.473
where: short stacking energy: -335.728
Base-Backbone interact. energy: -2.198
local terms energy: -359.612271
where:
bonds (distance) C4'-P energy: -62.327
bonds (distance) P-C4' energy: -74.162
flat angles C4'-P-C4' energy: -70.352
flat angles P-C4'-P energy: -55.545
tors. eta vs tors. theta energy: -97.226
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: 2, replica: 2
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -1125.251340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.251340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.251340 (E_RNA)
where:
Base-Base interactions energy: -783.226
where: short stacking energy: -335.764
Base-Backbone interact. energy: -1.616
local terms energy: -340.409284
where:
bonds (distance) C4'-P energy: -62.070
bonds (distance) P-C4' energy: -60.533
flat angles C4'-P-C4' energy: -72.867
flat angles P-C4'-P energy: -50.370
tors. eta vs tors. theta energy: -94.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -1057.053715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.053715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.053715 (E_RNA)
where:
Base-Base interactions energy: -742.424
where: short stacking energy: -339.976
Base-Backbone interact. energy: -1.162
local terms energy: -313.468063
where:
bonds (distance) C4'-P energy: -52.200
bonds (distance) P-C4' energy: -64.825
flat angles C4'-P-C4' energy: -61.915
flat angles P-C4'-P energy: -42.941
tors. eta vs tors. theta energy: -91.587
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: 4
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -1018.691702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.691702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.691702 (E_RNA)
where:
Base-Base interactions energy: -681.879
where: short stacking energy: -309.754
Base-Backbone interact. energy: -0.114
local terms energy: -336.699501
where:
bonds (distance) C4'-P energy: -56.889
bonds (distance) P-C4' energy: -60.075
flat angles C4'-P-C4' energy: -70.415
flat angles P-C4'-P energy: -53.405
tors. eta vs tors. theta energy: -95.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -993.801519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.801519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.801519 (E_RNA)
where:
Base-Base interactions energy: -669.655
where: short stacking energy: -282.280
Base-Backbone interact. energy: -1.133
local terms energy: -323.014160
where:
bonds (distance) C4'-P energy: -66.294
bonds (distance) P-C4' energy: -61.343
flat angles C4'-P-C4' energy: -74.543
flat angles P-C4'-P energy: -37.104
tors. eta vs tors. theta energy: -83.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -925.044112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.044112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.044112 (E_RNA)
where:
Base-Base interactions energy: -613.291
where: short stacking energy: -261.483
Base-Backbone interact. energy: 3.856
local terms energy: -315.609678
where:
bonds (distance) C4'-P energy: -54.269
bonds (distance) P-C4' energy: -65.725
flat angles C4'-P-C4' energy: -64.648
flat angles P-C4'-P energy: -57.697
tors. eta vs tors. theta energy: -73.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -874.355919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.355919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.355919 (E_RNA)
where:
Base-Base interactions energy: -574.539
where: short stacking energy: -259.940
Base-Backbone interact. energy: -0.681
local terms energy: -299.135547
where:
bonds (distance) C4'-P energy: -61.617
bonds (distance) P-C4' energy: -56.037
flat angles C4'-P-C4' energy: -64.966
flat angles P-C4'-P energy: -44.702
tors. eta vs tors. theta energy: -71.814
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: 6
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -686.513028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.513028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.513028 (E_RNA)
where:
Base-Base interactions energy: -433.971
where: short stacking energy: -223.209
Base-Backbone interact. energy: -0.335
local terms energy: -252.206921
where:
bonds (distance) C4'-P energy: -47.328
bonds (distance) P-C4' energy: -55.354
flat angles C4'-P-C4' energy: -54.042
flat angles P-C4'-P energy: -39.423
tors. eta vs tors. theta energy: -56.061
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: 5
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -415.785961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.785961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.785961 (E_RNA)
where:
Base-Base interactions energy: -219.531
where: short stacking energy: -123.051
Base-Backbone interact. energy: -2.206
local terms energy: -194.048479
where:
bonds (distance) C4'-P energy: -58.239
bonds (distance) P-C4' energy: -57.604
flat angles C4'-P-C4' energy: -43.616
flat angles P-C4'-P energy: -25.508
tors. eta vs tors. theta energy: -9.081
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: 7
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -353.820660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.820660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.820660 (E_RNA)
where:
Base-Base interactions energy: -162.272
where: short stacking energy: -98.279
Base-Backbone interact. energy: -0.569
local terms energy: -190.980019
where:
bonds (distance) C4'-P energy: -55.558
bonds (distance) P-C4' energy: -52.783
flat angles C4'-P-C4' energy: -49.080
flat angles P-C4'-P energy: -32.209
tors. eta vs tors. theta energy: -1.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -1130.351756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.351756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.351756 (E_RNA)
where:
Base-Base interactions energy: -774.654
where: short stacking energy: -340.024
Base-Backbone interact. energy: -1.539
local terms energy: -354.158182
where:
bonds (distance) C4'-P energy: -60.146
bonds (distance) P-C4' energy: -66.468
flat angles C4'-P-C4' energy: -70.618
flat angles P-C4'-P energy: -54.853
tors. eta vs tors. theta energy: -102.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -1086.100039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.100039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.100039 (E_RNA)
where:
Base-Base interactions energy: -744.934
where: short stacking energy: -341.078
Base-Backbone interact. energy: -2.377
local terms energy: -338.789507
where:
bonds (distance) C4'-P energy: -67.184
bonds (distance) P-C4' energy: -62.236
flat angles C4'-P-C4' energy: -72.059
flat angles P-C4'-P energy: -53.677
tors. eta vs tors. theta energy: -83.634
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: 2
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -1087.340486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.340486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.340486 (E_RNA)
where:
Base-Base interactions energy: -747.272
where: short stacking energy: -332.557
Base-Backbone interact. energy: -2.051
local terms energy: -338.017315
where:
bonds (distance) C4'-P energy: -65.742
bonds (distance) P-C4' energy: -66.817
flat angles C4'-P-C4' energy: -72.971
flat angles P-C4'-P energy: -42.832
tors. eta vs tors. theta energy: -89.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -1031.174120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.174120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.174120 (E_RNA)
where:
Base-Base interactions energy: -713.571
where: short stacking energy: -296.723
Base-Backbone interact. energy: 1.019
local terms energy: -318.621414
where:
bonds (distance) C4'-P energy: -63.559
bonds (distance) P-C4' energy: -65.387
flat angles C4'-P-C4' energy: -60.644
flat angles P-C4'-P energy: -38.979
tors. eta vs tors. theta energy: -90.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -956.476817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.476817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.476817 (E_RNA)
where:
Base-Base interactions energy: -630.839
where: short stacking energy: -306.714
Base-Backbone interact. energy: 0.125
local terms energy: -325.762343
where:
bonds (distance) C4'-P energy: -64.905
bonds (distance) P-C4' energy: -59.191
flat angles C4'-P-C4' energy: -68.085
flat angles P-C4'-P energy: -47.477
tors. eta vs tors. theta energy: -86.105
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: 9
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -931.751089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.751089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.751089 (E_RNA)
where:
Base-Base interactions energy: -628.029
where: short stacking energy: -246.201
Base-Backbone interact. energy: 0.021
local terms energy: -303.743238
where:
bonds (distance) C4'-P energy: -53.754
bonds (distance) P-C4' energy: -65.107
flat angles C4'-P-C4' energy: -65.087
flat angles P-C4'-P energy: -47.585
tors. eta vs tors. theta energy: -72.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -861.453345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.453345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.453345 (E_RNA)
where:
Base-Base interactions energy: -594.154
where: short stacking energy: -246.151
Base-Backbone interact. energy: 0.350
local terms energy: -267.649207
where:
bonds (distance) C4'-P energy: -60.507
bonds (distance) P-C4' energy: -41.454
flat angles C4'-P-C4' energy: -67.940
flat angles P-C4'-P energy: -34.353
tors. eta vs tors. theta energy: -63.395
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: 6
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -646.717685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.717685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.717685 (E_RNA)
where:
Base-Base interactions energy: -393.718
where: short stacking energy: -187.705
Base-Backbone interact. energy: 2.951
local terms energy: -255.950745
where:
bonds (distance) C4'-P energy: -50.739
bonds (distance) P-C4' energy: -72.183
flat angles C4'-P-C4' energy: -53.896
flat angles P-C4'-P energy: -37.375
tors. eta vs tors. theta energy: -41.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -429.375543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.375543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.375543 (E_RNA)
where:
Base-Base interactions energy: -217.295
where: short stacking energy: -117.962
Base-Backbone interact. energy: 3.677
local terms energy: -215.757652
where:
bonds (distance) C4'-P energy: -46.392
bonds (distance) P-C4' energy: -68.329
flat angles C4'-P-C4' energy: -58.537
flat angles P-C4'-P energy: -30.046
tors. eta vs tors. theta energy: -12.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -319.307200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.307200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.307200 (E_RNA)
where:
Base-Base interactions energy: -139.307
where: short stacking energy: -89.146
Base-Backbone interact. energy: 3.344
local terms energy: -183.344361
where:
bonds (distance) C4'-P energy: -43.768
bonds (distance) P-C4' energy: -67.673
flat angles C4'-P-C4' energy: -52.591
flat angles P-C4'-P energy: -21.834
tors. eta vs tors. theta energy: 2.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -1154.977278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.977278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.977278 (E_RNA)
where:
Base-Base interactions energy: -797.787
where: short stacking energy: -369.623
Base-Backbone interact. energy: -1.466
local terms energy: -355.724723
where:
bonds (distance) C4'-P energy: -59.264
bonds (distance) P-C4' energy: -70.133
flat angles C4'-P-C4' energy: -77.053
flat angles P-C4'-P energy: -49.036
tors. eta vs tors. theta energy: -100.238
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: 8
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -1097.059930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.059930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.059930 (E_RNA)
where:
Base-Base interactions energy: -750.556
where: short stacking energy: -323.388
Base-Backbone interact. energy: -1.556
local terms energy: -344.948373
where:
bonds (distance) C4'-P energy: -60.926
bonds (distance) P-C4' energy: -65.414
flat angles C4'-P-C4' energy: -68.338
flat angles P-C4'-P energy: -60.509
tors. eta vs tors. theta energy: -89.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -1074.832535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.832535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.832535 (E_RNA)
where:
Base-Base interactions energy: -741.104
where: short stacking energy: -318.594
Base-Backbone interact. energy: -0.665
local terms energy: -333.063709
where:
bonds (distance) C4'-P energy: -60.587
bonds (distance) P-C4' energy: -73.964
flat angles C4'-P-C4' energy: -71.790
flat angles P-C4'-P energy: -42.652
tors. eta vs tors. theta energy: -84.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -1023.315100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.315100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.315100 (E_RNA)
where:
Base-Base interactions energy: -712.133
where: short stacking energy: -299.423
Base-Backbone interact. energy: 0.694
local terms energy: -311.876793
where:
bonds (distance) C4'-P energy: -56.498
bonds (distance) P-C4' energy: -63.015
flat angles C4'-P-C4' energy: -71.954
flat angles P-C4'-P energy: -37.559
tors. eta vs tors. theta energy: -82.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -940.740749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.740749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.740749 (E_RNA)
where:
Base-Base interactions energy: -673.478
where: short stacking energy: -273.329
Base-Backbone interact. energy: 0.007
local terms energy: -267.269333
where:
bonds (distance) C4'-P energy: -54.467
bonds (distance) P-C4' energy: -55.660
flat angles C4'-P-C4' energy: -53.869
flat angles P-C4'-P energy: -46.803
tors. eta vs tors. theta energy: -56.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -938.807454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.807454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.807454 (E_RNA)
where:
Base-Base interactions energy: -637.590
where: short stacking energy: -279.803
Base-Backbone interact. energy: 2.109
local terms energy: -303.326277
where:
bonds (distance) C4'-P energy: -56.686
bonds (distance) P-C4' energy: -61.119
flat angles C4'-P-C4' energy: -56.428
flat angles P-C4'-P energy: -43.257
tors. eta vs tors. theta energy: -85.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -853.239232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.239232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.239232 (E_RNA)
where:
Base-Base interactions energy: -600.964
where: short stacking energy: -244.694
Base-Backbone interact. energy: -1.798
local terms energy: -250.477548
where:
bonds (distance) C4'-P energy: -37.870
bonds (distance) P-C4' energy: -53.466
flat angles C4'-P-C4' energy: -65.346
flat angles P-C4'-P energy: -39.722
tors. eta vs tors. theta energy: -54.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -651.784696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.784696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.784696 (E_RNA)
where:
Base-Base interactions energy: -403.568
where: short stacking energy: -207.063
Base-Backbone interact. energy: -0.613
local terms energy: -247.604314
where:
bonds (distance) C4'-P energy: -60.425
bonds (distance) P-C4' energy: -53.531
flat angles C4'-P-C4' energy: -54.042
flat angles P-C4'-P energy: -40.888
tors. eta vs tors. theta energy: -38.719
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: 5
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -435.772288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.772288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.772288 (E_RNA)
where:
Base-Base interactions energy: -232.449
where: short stacking energy: -138.888
Base-Backbone interact. energy: 4.880
local terms energy: -208.202788
where:
bonds (distance) C4'-P energy: -52.230
bonds (distance) P-C4' energy: -49.276
flat angles C4'-P-C4' energy: -58.854
flat angles P-C4'-P energy: -33.835
tors. eta vs tors. theta energy: -14.009
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: 7
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -286.573178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.573178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.573178 (E_RNA)
where:
Base-Base interactions energy: -105.956
where: short stacking energy: -84.309
Base-Backbone interact. energy: 3.722
local terms energy: -184.339160
where:
bonds (distance) C4'-P energy: -54.998
bonds (distance) P-C4' energy: -56.864
flat angles C4'-P-C4' energy: -44.800
flat angles P-C4'-P energy: -20.919
tors. eta vs tors. theta energy: -6.758
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: 10
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -1146.676709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.676709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.676709 (E_RNA)
where:
Base-Base interactions energy: -776.216
where: short stacking energy: -341.391
Base-Backbone interact. energy: -2.161
local terms energy: -368.299745
where:
bonds (distance) C4'-P energy: -63.800
bonds (distance) P-C4' energy: -68.742
flat angles C4'-P-C4' energy: -80.608
flat angles P-C4'-P energy: -52.813
tors. eta vs tors. theta energy: -102.337
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: 8
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -1112.110738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.110738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.110738 (E_RNA)
where:
Base-Base interactions energy: -772.459
where: short stacking energy: -324.774
Base-Backbone interact. energy: -0.758
local terms energy: -338.893781
where:
bonds (distance) C4'-P energy: -64.040
bonds (distance) P-C4' energy: -68.873
flat angles C4'-P-C4' energy: -73.995
flat angles P-C4'-P energy: -49.691
tors. eta vs tors. theta energy: -82.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -1100.385251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.385251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.385251 (E_RNA)
where:
Base-Base interactions energy: -745.692
where: short stacking energy: -309.765
Base-Backbone interact. energy: -1.907
local terms energy: -352.786347
where:
bonds (distance) C4'-P energy: -56.050
bonds (distance) P-C4' energy: -71.704
flat angles C4'-P-C4' energy: -79.573
flat angles P-C4'-P energy: -55.216
tors. eta vs tors. theta energy: -90.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -1026.826447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.826447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.826447 (E_RNA)
where:
Base-Base interactions energy: -704.743
where: short stacking energy: -323.224
Base-Backbone interact. energy: -2.063
local terms energy: -320.019642
where:
bonds (distance) C4'-P energy: -61.683
bonds (distance) P-C4' energy: -59.542
flat angles C4'-P-C4' energy: -67.330
flat angles P-C4'-P energy: -48.075
tors. eta vs tors. theta energy: -83.390
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: 9
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -959.445691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.445691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.445691 (E_RNA)
where:
Base-Base interactions energy: -676.622
where: short stacking energy: -291.959
Base-Backbone interact. energy: -1.724
local terms energy: -281.099542
where:
bonds (distance) C4'-P energy: -58.254
bonds (distance) P-C4' energy: -52.720
flat angles C4'-P-C4' energy: -63.300
flat angles P-C4'-P energy: -36.159
tors. eta vs tors. theta energy: -70.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -966.264378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.264378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.264378 (E_RNA)
where:
Base-Base interactions energy: -649.964
where: short stacking energy: -294.017
Base-Backbone interact. energy: 0.478
local terms energy: -316.777939
where:
bonds (distance) C4'-P energy: -61.870
bonds (distance) P-C4' energy: -46.498
flat angles C4'-P-C4' energy: -68.898
flat angles P-C4'-P energy: -50.881
tors. eta vs tors. theta energy: -88.631
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: 205
Temperature: 1.200000
Total energy: -858.774349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.774349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.774349 (E_RNA)
where:
Base-Base interactions energy: -574.365
where: short stacking energy: -252.867
Base-Backbone interact. energy: -0.910
local terms energy: -283.499116
where:
bonds (distance) C4'-P energy: -56.415
bonds (distance) P-C4' energy: -65.226
flat angles C4'-P-C4' energy: -62.173
flat angles P-C4'-P energy: -38.661
tors. eta vs tors. theta energy: -61.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -619.297450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.297450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.297450 (E_RNA)
where:
Base-Base interactions energy: -378.404
where: short stacking energy: -179.406
Base-Backbone interact. energy: -0.465
local terms energy: -240.428099
where:
bonds (distance) C4'-P energy: -56.409
bonds (distance) P-C4' energy: -53.976
flat angles C4'-P-C4' energy: -59.024
flat angles P-C4'-P energy: -34.775
tors. eta vs tors. theta energy: -36.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -461.242698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.242698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.242698 (E_RNA)
where:
Base-Base interactions energy: -244.470
where: short stacking energy: -138.248
Base-Backbone interact. energy: -0.510
local terms energy: -216.262671
where:
bonds (distance) C4'-P energy: -51.781
bonds (distance) P-C4' energy: -69.975
flat angles C4'-P-C4' energy: -45.904
flat angles P-C4'-P energy: -29.278
tors. eta vs tors. theta energy: -19.325
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: 10, replica: 7
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -305.746235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.746235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.746235 (E_RNA)
where:
Base-Base interactions energy: -113.215
where: short stacking energy: -107.532
Base-Backbone interact. energy: 0.255
local terms energy: -192.785430
where:
bonds (distance) C4'-P energy: -44.085
bonds (distance) P-C4' energy: -55.937
flat angles C4'-P-C4' energy: -48.479
flat angles P-C4'-P energy: -44.898
tors. eta vs tors. theta energy: 0.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -1152.870254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.870254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.870254 (E_RNA)
where:
Base-Base interactions energy: -788.209
where: short stacking energy: -333.212
Base-Backbone interact. energy: -3.435
local terms energy: -361.225577
where:
bonds (distance) C4'-P energy: -74.665
bonds (distance) P-C4' energy: -64.135
flat angles C4'-P-C4' energy: -74.593
flat angles P-C4'-P energy: -50.576
tors. eta vs tors. theta energy: -97.256
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: 8
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -1078.366792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.366792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.366792 (E_RNA)
where:
Base-Base interactions energy: -746.465
where: short stacking energy: -333.461
Base-Backbone interact. energy: -1.295
local terms energy: -330.606590
where:
bonds (distance) C4'-P energy: -65.428
bonds (distance) P-C4' energy: -62.756
flat angles C4'-P-C4' energy: -72.602
flat angles P-C4'-P energy: -46.838
tors. eta vs tors. theta energy: -82.983
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: 2
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -1086.251344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.251344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.251344 (E_RNA)
where:
Base-Base interactions energy: -751.119
where: short stacking energy: -332.049
Base-Backbone interact. energy: -0.256
local terms energy: -334.876367
where:
bonds (distance) C4'-P energy: -59.279
bonds (distance) P-C4' energy: -62.187
flat angles C4'-P-C4' energy: -75.246
flat angles P-C4'-P energy: -49.731
tors. eta vs tors. theta energy: -88.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -1056.688727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.688727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.688727 (E_RNA)
where:
Base-Base interactions energy: -737.628
where: short stacking energy: -327.428
Base-Backbone interact. energy: 0.073
local terms energy: -319.133480
where:
bonds (distance) C4'-P energy: -53.282
bonds (distance) P-C4' energy: -58.835
flat angles C4'-P-C4' energy: -69.455
flat angles P-C4'-P energy: -42.382
tors. eta vs tors. theta energy: -95.179
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: 9
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -959.501944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.501944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.501944 (E_RNA)
where:
Base-Base interactions energy: -642.341
where: short stacking energy: -289.616
Base-Backbone interact. energy: -1.631
local terms energy: -315.530080
where:
bonds (distance) C4'-P energy: -62.943
bonds (distance) P-C4' energy: -54.938
flat angles C4'-P-C4' energy: -70.493
flat angles P-C4'-P energy: -51.143
tors. eta vs tors. theta energy: -76.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -981.915761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.915761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.915761 (E_RNA)
where:
Base-Base interactions energy: -673.996
where: short stacking energy: -313.994
Base-Backbone interact. energy: 2.612
local terms energy: -310.531021
where:
bonds (distance) C4'-P energy: -63.595
bonds (distance) P-C4' energy: -55.262
flat angles C4'-P-C4' energy: -64.357
flat angles P-C4'-P energy: -38.422
tors. eta vs tors. theta energy: -88.895
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: 3
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -844.226655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.226655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.226655 (E_RNA)
where:
Base-Base interactions energy: -573.849
where: short stacking energy: -242.903
Base-Backbone interact. energy: -1.578
local terms energy: -268.799862
where:
bonds (distance) C4'-P energy: -48.624
bonds (distance) P-C4' energy: -62.558
flat angles C4'-P-C4' energy: -56.542
flat angles P-C4'-P energy: -37.794
tors. eta vs tors. theta energy: -63.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -628.880432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.880432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.880432 (E_RNA)
where:
Base-Base interactions energy: -390.055
where: short stacking energy: -202.024
Base-Backbone interact. energy: -1.964
local terms energy: -236.862021
where:
bonds (distance) C4'-P energy: -50.149
bonds (distance) P-C4' energy: -60.095
flat angles C4'-P-C4' energy: -60.623
flat angles P-C4'-P energy: -30.316
tors. eta vs tors. theta energy: -35.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -466.781665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.781665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.781665 (E_RNA)
where:
Base-Base interactions energy: -257.967
where: short stacking energy: -147.626
Base-Backbone interact. energy: 0.356
local terms energy: -209.170529
where:
bonds (distance) C4'-P energy: -52.283
bonds (distance) P-C4' energy: -50.099
flat angles C4'-P-C4' energy: -55.995
flat angles P-C4'-P energy: -42.167
tors. eta vs tors. theta energy: -8.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -280.904686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.904686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.904686 (E_RNA)
where:
Base-Base interactions energy: -98.400
where: short stacking energy: -93.389
Base-Backbone interact. energy: 1.283
local terms energy: -183.788082
where:
bonds (distance) C4'-P energy: -40.883
bonds (distance) P-C4' energy: -46.310
flat angles C4'-P-C4' energy: -48.432
flat angles P-C4'-P energy: -38.225
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: 10
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -1160.187171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.187171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.187171 (E_RNA)
where:
Base-Base interactions energy: -794.900
where: short stacking energy: -358.796
Base-Backbone interact. energy: -0.492
local terms energy: -364.794722
where:
bonds (distance) C4'-P energy: -54.856
bonds (distance) P-C4' energy: -70.707
flat angles C4'-P-C4' energy: -76.560
flat angles P-C4'-P energy: -57.981
tors. eta vs tors. theta energy: -104.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -1112.675353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.675353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.675353 (E_RNA)
where:
Base-Base interactions energy: -769.139
where: short stacking energy: -326.872
Base-Backbone interact. energy: -1.740
local terms energy: -341.796708
where:
bonds (distance) C4'-P energy: -52.207
bonds (distance) P-C4' energy: -68.773
flat angles C4'-P-C4' energy: -73.718
flat angles P-C4'-P energy: -51.644
tors. eta vs tors. theta energy: -95.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -1053.112463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.112463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.112463 (E_RNA)
where:
Base-Base interactions energy: -730.537
where: short stacking energy: -320.862
Base-Backbone interact. energy: -0.882
local terms energy: -321.693807
where:
bonds (distance) C4'-P energy: -52.396
bonds (distance) P-C4' energy: -57.882
flat angles C4'-P-C4' energy: -71.785
flat angles P-C4'-P energy: -51.595
tors. eta vs tors. theta energy: -88.036
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: 1
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -1058.677494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.677494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.677494 (E_RNA)
where:
Base-Base interactions energy: -732.366
where: short stacking energy: -326.735
Base-Backbone interact. energy: -0.566
local terms energy: -325.745419
where:
bonds (distance) C4'-P energy: -59.983
bonds (distance) P-C4' energy: -62.755
flat angles C4'-P-C4' energy: -62.703
flat angles P-C4'-P energy: -47.876
tors. eta vs tors. theta energy: -92.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -946.167394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.167394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.167394 (E_RNA)
where:
Base-Base interactions energy: -640.923
where: short stacking energy: -281.652
Base-Backbone interact. energy: 1.152
local terms energy: -306.397300
where:
bonds (distance) C4'-P energy: -62.410
bonds (distance) P-C4' energy: -56.487
flat angles C4'-P-C4' energy: -64.399
flat angles P-C4'-P energy: -44.510
tors. eta vs tors. theta energy: -78.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -953.327160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.327160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.327160 (E_RNA)
where:
Base-Base interactions energy: -641.964
where: short stacking energy: -294.033
Base-Backbone interact. energy: -0.695
local terms energy: -310.667913
where:
bonds (distance) C4'-P energy: -58.863
bonds (distance) P-C4' energy: -59.288
flat angles C4'-P-C4' energy: -58.086
flat angles P-C4'-P energy: -46.565
tors. eta vs tors. theta energy: -87.866
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: 7, replica: 3
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -822.486469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.486469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.486469 (E_RNA)
where:
Base-Base interactions energy: -546.718
where: short stacking energy: -233.179
Base-Backbone interact. energy: -1.021
local terms energy: -274.747643
where:
bonds (distance) C4'-P energy: -50.830
bonds (distance) P-C4' energy: -54.419
flat angles C4'-P-C4' energy: -63.728
flat angles P-C4'-P energy: -45.728
tors. eta vs tors. theta energy: -60.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -668.019407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.019407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.019407 (E_RNA)
where:
Base-Base interactions energy: -424.543
where: short stacking energy: -207.907
Base-Backbone interact. energy: -0.244
local terms energy: -243.232177
where:
bonds (distance) C4'-P energy: -63.224
bonds (distance) P-C4' energy: -57.829
flat angles C4'-P-C4' energy: -55.205
flat angles P-C4'-P energy: -27.347
tors. eta vs tors. theta energy: -39.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -474.476306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.476306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.476306 (E_RNA)
where:
Base-Base interactions energy: -249.245
where: short stacking energy: -144.073
Base-Backbone interact. energy: -0.085
local terms energy: -225.146714
where:
bonds (distance) C4'-P energy: -60.292
bonds (distance) P-C4' energy: -73.019
flat angles C4'-P-C4' energy: -49.082
flat angles P-C4'-P energy: -23.566
tors. eta vs tors. theta energy: -19.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -284.157991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.157991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.157991 (E_RNA)
where:
Base-Base interactions energy: -110.759
where: short stacking energy: -92.450
Base-Backbone interact. energy: -1.337
local terms energy: -172.061919
where:
bonds (distance) C4'-P energy: -64.772
bonds (distance) P-C4' energy: -56.750
flat angles C4'-P-C4' energy: -43.355
flat angles P-C4'-P energy: -16.922
tors. eta vs tors. theta energy: 9.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -1152.968543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.968543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.968543 (E_RNA)
where:
Base-Base interactions energy: -797.264
where: short stacking energy: -340.859
Base-Backbone interact. energy: -0.876
local terms energy: -354.828604
where:
bonds (distance) C4'-P energy: -63.281
bonds (distance) P-C4' energy: -71.228
flat angles C4'-P-C4' energy: -71.447
flat angles P-C4'-P energy: -52.168
tors. eta vs tors. theta energy: -96.705
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: 2
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -1118.836417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.836417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.836417 (E_RNA)
where:
Base-Base interactions energy: -775.008
where: short stacking energy: -340.336
Base-Backbone interact. energy: -2.006
local terms energy: -341.822527
where:
bonds (distance) C4'-P energy: -63.275
bonds (distance) P-C4' energy: -61.804
flat angles C4'-P-C4' energy: -75.932
flat angles P-C4'-P energy: -51.544
tors. eta vs tors. theta energy: -89.268
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: 8
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -1059.002936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.002936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.002936 (E_RNA)
where:
Base-Base interactions energy: -730.781
where: short stacking energy: -318.346
Base-Backbone interact. energy: -2.145
local terms energy: -326.077001
where:
bonds (distance) C4'-P energy: -68.827
bonds (distance) P-C4' energy: -56.186
flat angles C4'-P-C4' energy: -74.210
flat angles P-C4'-P energy: -41.475
tors. eta vs tors. theta energy: -85.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -1067.007295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.007295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.007295 (E_RNA)
where:
Base-Base interactions energy: -738.676
where: short stacking energy: -326.491
Base-Backbone interact. energy: -0.455
local terms energy: -327.875836
where:
bonds (distance) C4'-P energy: -55.995
bonds (distance) P-C4' energy: -56.686
flat angles C4'-P-C4' energy: -75.934
flat angles P-C4'-P energy: -46.543
tors. eta vs tors. theta energy: -92.718
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: 4
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -998.047254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.047254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.047254 (E_RNA)
where:
Base-Base interactions energy: -679.924
where: short stacking energy: -297.528
Base-Backbone interact. energy: -1.234
local terms energy: -316.890208
where:
bonds (distance) C4'-P energy: -61.883
bonds (distance) P-C4' energy: -55.345
flat angles C4'-P-C4' energy: -74.594
flat angles P-C4'-P energy: -43.051
tors. eta vs tors. theta energy: -82.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -925.260386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.260386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.260386 (E_RNA)
where:
Base-Base interactions energy: -622.535
where: short stacking energy: -246.949
Base-Backbone interact. energy: -1.192
local terms energy: -301.534057
where:
bonds (distance) C4'-P energy: -59.400
bonds (distance) P-C4' energy: -68.231
flat angles C4'-P-C4' energy: -67.152
flat angles P-C4'-P energy: -40.153
tors. eta vs tors. theta energy: -66.598
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: 3
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -829.008068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.008068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.008068 (E_RNA)
where:
Base-Base interactions energy: -530.450
where: short stacking energy: -249.401
Base-Backbone interact. energy: -0.132
local terms energy: -298.426188
where:
bonds (distance) C4'-P energy: -58.371
bonds (distance) P-C4' energy: -62.884
flat angles C4'-P-C4' energy: -64.154
flat angles P-C4'-P energy: -43.576
tors. eta vs tors. theta energy: -69.441
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: 6
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -642.467980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.467980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.467980 (E_RNA)
where:
Base-Base interactions energy: -391.237
where: short stacking energy: -176.439
Base-Backbone interact. energy: -1.306
local terms energy: -249.925003
where:
bonds (distance) C4'-P energy: -54.615
bonds (distance) P-C4' energy: -64.500
flat angles C4'-P-C4' energy: -59.386
flat angles P-C4'-P energy: -46.170
tors. eta vs tors. theta energy: -25.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -469.851870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.851870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.851870 (E_RNA)
where:
Base-Base interactions energy: -250.073
where: short stacking energy: -147.335
Base-Backbone interact. energy: -1.073
local terms energy: -218.706192
where:
bonds (distance) C4'-P energy: -52.111
bonds (distance) P-C4' energy: -60.344
flat angles C4'-P-C4' energy: -57.601
flat angles P-C4'-P energy: -38.903
tors. eta vs tors. theta energy: -9.746
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: 7
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -294.443939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.443939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.443939 (E_RNA)
where:
Base-Base interactions energy: -119.434
where: short stacking energy: -101.845
Base-Backbone interact. energy: 1.904
local terms energy: -176.913442
where:
bonds (distance) C4'-P energy: -43.069
bonds (distance) P-C4' energy: -57.340
flat angles C4'-P-C4' energy: -53.322
flat angles P-C4'-P energy: -28.537
tors. eta vs tors. theta energy: 5.355
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: 10
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -1143.060206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.060206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.060206 (E_RNA)
where:
Base-Base interactions energy: -808.446
where: short stacking energy: -345.201
Base-Backbone interact. energy: 0.335
local terms energy: -334.948585
where:
bonds (distance) C4'-P energy: -58.786
bonds (distance) P-C4' energy: -59.672
flat angles C4'-P-C4' energy: -68.890
flat angles P-C4'-P energy: -48.296
tors. eta vs tors. theta energy: -99.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -1120.388993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.388993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.388993 (E_RNA)
where:
Base-Base interactions energy: -776.438
where: short stacking energy: -353.444
Base-Backbone interact. energy: 0.544
local terms energy: -344.495063
where:
bonds (distance) C4'-P energy: -59.597
bonds (distance) P-C4' energy: -61.656
flat angles C4'-P-C4' energy: -73.632
flat angles P-C4'-P energy: -47.788
tors. eta vs tors. theta energy: -101.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -1064.553980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.553980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.553980 (E_RNA)
where:
Base-Base interactions energy: -748.223
where: short stacking energy: -316.296
Base-Backbone interact. energy: -0.923
local terms energy: -315.408826
where:
bonds (distance) C4'-P energy: -69.411
bonds (distance) P-C4' energy: -54.059
flat angles C4'-P-C4' energy: -63.932
flat angles P-C4'-P energy: -44.289
tors. eta vs tors. theta energy: -83.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -1073.985948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.985948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.985948 (E_RNA)
where:
Base-Base interactions energy: -729.885
where: short stacking energy: -319.232
Base-Backbone interact. energy: -1.178
local terms energy: -342.923751
where:
bonds (distance) C4'-P energy: -50.903
bonds (distance) P-C4' energy: -75.277
flat angles C4'-P-C4' energy: -73.241
flat angles P-C4'-P energy: -49.518
tors. eta vs tors. theta energy: -93.985
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: 5, replica: 4
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -970.885575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.885575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.885575 (E_RNA)
where:
Base-Base interactions energy: -643.948
where: short stacking energy: -288.648
Base-Backbone interact. energy: -0.888
local terms energy: -326.049714
where:
bonds (distance) C4'-P energy: -62.091
bonds (distance) P-C4' energy: -58.790
flat angles C4'-P-C4' energy: -68.562
flat angles P-C4'-P energy: -53.986
tors. eta vs tors. theta energy: -82.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -926.783827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.783827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.783827 (E_RNA)
where:
Base-Base interactions energy: -621.410
where: short stacking energy: -275.581
Base-Backbone interact. energy: -3.185
local terms energy: -302.188666
where:
bonds (distance) C4'-P energy: -52.883
bonds (distance) P-C4' energy: -67.919
flat angles C4'-P-C4' energy: -73.863
flat angles P-C4'-P energy: -40.716
tors. eta vs tors. theta energy: -66.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -832.589424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.589424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.589424 (E_RNA)
where:
Base-Base interactions energy: -545.100
where: short stacking energy: -254.361
Base-Backbone interact. energy: 0.978
local terms energy: -288.467196
where:
bonds (distance) C4'-P energy: -54.262
bonds (distance) P-C4' energy: -62.075
flat angles C4'-P-C4' energy: -69.330
flat angles P-C4'-P energy: -41.224
tors. eta vs tors. theta energy: -61.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -667.344410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.344410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.344410 (E_RNA)
where:
Base-Base interactions energy: -411.020
where: short stacking energy: -195.963
Base-Backbone interact. energy: -0.881
local terms energy: -255.442974
where:
bonds (distance) C4'-P energy: -54.866
bonds (distance) P-C4' energy: -56.345
flat angles C4'-P-C4' energy: -66.749
flat angles P-C4'-P energy: -24.371
tors. eta vs tors. theta energy: -53.112
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: 9, replica: 5
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -435.724813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.724813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.724813 (E_RNA)
where:
Base-Base interactions energy: -225.971
where: short stacking energy: -132.404
Base-Backbone interact. energy: -1.066
local terms energy: -208.688444
where:
bonds (distance) C4'-P energy: -57.076
bonds (distance) P-C4' energy: -51.773
flat angles C4'-P-C4' energy: -53.696
flat angles P-C4'-P energy: -31.527
tors. eta vs tors. theta energy: -14.616
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: 10, replica: 7
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -279.916799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.916799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.916799 (E_RNA)
where:
Base-Base interactions energy: -92.320
where: short stacking energy: -70.247
Base-Backbone interact. energy: -0.502
local terms energy: -187.095237
where:
bonds (distance) C4'-P energy: -59.202
bonds (distance) P-C4' energy: -60.305
flat angles C4'-P-C4' energy: -38.793
flat angles P-C4'-P energy: -37.192
tors. eta vs tors. theta energy: 8.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -1163.031128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.031128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.031128 (E_RNA)
where:
Base-Base interactions energy: -796.479
where: short stacking energy: -342.638
Base-Backbone interact. energy: -1.114
local terms energy: -365.438905
where:
bonds (distance) C4'-P energy: -69.276
bonds (distance) P-C4' energy: -67.955
flat angles C4'-P-C4' energy: -77.195
flat angles P-C4'-P energy: -51.887
tors. eta vs tors. theta energy: -99.126
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: 210
Temperature: 0.950000
Total energy: -1125.117172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.117172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.117172 (E_RNA)
where:
Base-Base interactions energy: -774.491
where: short stacking energy: -328.050
Base-Backbone interact. energy: -1.473
local terms energy: -349.152738
where:
bonds (distance) C4'-P energy: -63.330
bonds (distance) P-C4' energy: -64.077
flat angles C4'-P-C4' energy: -67.158
flat angles P-C4'-P energy: -53.303
tors. eta vs tors. theta energy: -101.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -1068.021367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.021367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.021367 (E_RNA)
where:
Base-Base interactions energy: -748.559
where: short stacking energy: -320.598
Base-Backbone interact. energy: -2.078
local terms energy: -317.384788
where:
bonds (distance) C4'-P energy: -55.164
bonds (distance) P-C4' energy: -61.580
flat angles C4'-P-C4' energy: -71.939
flat angles P-C4'-P energy: -40.776
tors. eta vs tors. theta energy: -87.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -1083.136066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.136066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.136066 (E_RNA)
where:
Base-Base interactions energy: -765.263
where: short stacking energy: -330.695
Base-Backbone interact. energy: -0.923
local terms energy: -316.950420
where:
bonds (distance) C4'-P energy: -43.785
bonds (distance) P-C4' energy: -63.320
flat angles C4'-P-C4' energy: -68.532
flat angles P-C4'-P energy: -45.135
tors. eta vs tors. theta energy: -96.179
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: 9
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -950.452956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.452956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.452956 (E_RNA)
where:
Base-Base interactions energy: -649.411
where: short stacking energy: -282.055
Base-Backbone interact. energy: -0.228
local terms energy: -300.813946
where:
bonds (distance) C4'-P energy: -61.817
bonds (distance) P-C4' energy: -66.625
flat angles C4'-P-C4' energy: -54.998
flat angles P-C4'-P energy: -38.969
tors. eta vs tors. theta energy: -78.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -952.016504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.016504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.016504 (E_RNA)
where:
Base-Base interactions energy: -641.117
where: short stacking energy: -295.837
Base-Backbone interact. energy: 0.019
local terms energy: -310.918654
where:
bonds (distance) C4'-P energy: -51.395
bonds (distance) P-C4' energy: -69.128
flat angles C4'-P-C4' energy: -64.175
flat angles P-C4'-P energy: -36.106
tors. eta vs tors. theta energy: -90.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -804.521904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.521904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.521904 (E_RNA)
where:
Base-Base interactions energy: -562.435
where: short stacking energy: -241.692
Base-Backbone interact. energy: -0.650
local terms energy: -241.436000
where:
bonds (distance) C4'-P energy: -46.867
bonds (distance) P-C4' energy: -49.124
flat angles C4'-P-C4' energy: -55.377
flat angles P-C4'-P energy: -34.007
tors. eta vs tors. theta energy: -56.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -690.088697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.088697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.088697 (E_RNA)
where:
Base-Base interactions energy: -446.057
where: short stacking energy: -234.284
Base-Backbone interact. energy: -0.991
local terms energy: -243.040323
where:
bonds (distance) C4'-P energy: -41.024
bonds (distance) P-C4' energy: -60.361
flat angles C4'-P-C4' energy: -56.330
flat angles P-C4'-P energy: -29.198
tors. eta vs tors. theta energy: -56.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -457.224044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.224044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.224044 (E_RNA)
where:
Base-Base interactions energy: -243.770
where: short stacking energy: -126.340
Base-Backbone interact. energy: 1.883
local terms energy: -215.336938
where:
bonds (distance) C4'-P energy: -57.904
bonds (distance) P-C4' energy: -68.818
flat angles C4'-P-C4' energy: -45.052
flat angles P-C4'-P energy: -36.794
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: 7
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -284.436988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.436988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.436988 (E_RNA)
where:
Base-Base interactions energy: -106.649
where: short stacking energy: -92.214
Base-Backbone interact. energy: 2.640
local terms energy: -180.428460
where:
bonds (distance) C4'-P energy: -56.743
bonds (distance) P-C4' energy: -63.494
flat angles C4'-P-C4' energy: -45.454
flat angles P-C4'-P energy: -17.430
tors. eta vs tors. theta energy: 2.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -1162.287974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.287974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.287974 (E_RNA)
where:
Base-Base interactions energy: -795.844
where: short stacking energy: -336.630
Base-Backbone interact. energy: -1.399
local terms energy: -365.045351
where:
bonds (distance) C4'-P energy: -63.210
bonds (distance) P-C4' energy: -69.103
flat angles C4'-P-C4' energy: -77.968
flat angles P-C4'-P energy: -54.047
tors. eta vs tors. theta energy: -100.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -1118.571216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.571216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.571216 (E_RNA)
where:
Base-Base interactions energy: -774.214
where: short stacking energy: -327.493
Base-Backbone interact. energy: -0.818
local terms energy: -343.538667
where:
bonds (distance) C4'-P energy: -67.021
bonds (distance) P-C4' energy: -61.563
flat angles C4'-P-C4' energy: -73.749
flat angles P-C4'-P energy: -48.178
tors. eta vs tors. theta energy: -93.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -1067.881432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.881432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.881432 (E_RNA)
where:
Base-Base interactions energy: -732.116
where: short stacking energy: -311.036
Base-Backbone interact. energy: -0.993
local terms energy: -334.771820
where:
bonds (distance) C4'-P energy: -66.270
bonds (distance) P-C4' energy: -73.598
flat angles C4'-P-C4' energy: -66.038
flat angles P-C4'-P energy: -51.904
tors. eta vs tors. theta energy: -76.961
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: 1
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -1093.884672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.884672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.884672 (E_RNA)
where:
Base-Base interactions energy: -745.642
where: short stacking energy: -333.500
Base-Backbone interact. energy: -0.310
local terms energy: -347.932315
where:
bonds (distance) C4'-P energy: -64.156
bonds (distance) P-C4' energy: -62.736
flat angles C4'-P-C4' energy: -74.809
flat angles P-C4'-P energy: -44.338
tors. eta vs tors. theta energy: -101.893
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: 9
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -927.643763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.643763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.643763 (E_RNA)
where:
Base-Base interactions energy: -629.852
where: short stacking energy: -258.529
Base-Backbone interact. energy: -1.254
local terms energy: -296.537484
where:
bonds (distance) C4'-P energy: -58.186
bonds (distance) P-C4' energy: -60.418
flat angles C4'-P-C4' energy: -67.906
flat angles P-C4'-P energy: -46.773
tors. eta vs tors. theta energy: -63.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -893.264168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.264168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.264168 (E_RNA)
where:
Base-Base interactions energy: -628.747
where: short stacking energy: -263.873
Base-Backbone interact. energy: -0.368
local terms energy: -264.149480
where:
bonds (distance) C4'-P energy: -38.447
bonds (distance) P-C4' energy: -55.071
flat angles C4'-P-C4' energy: -73.662
flat angles P-C4'-P energy: -37.152
tors. eta vs tors. theta energy: -59.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -825.731916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.731916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.731916 (E_RNA)
where:
Base-Base interactions energy: -546.842
where: short stacking energy: -235.856
Base-Backbone interact. energy: -0.276
local terms energy: -278.614314
where:
bonds (distance) C4'-P energy: -59.014
bonds (distance) P-C4' energy: -62.778
flat angles C4'-P-C4' energy: -63.283
flat angles P-C4'-P energy: -30.803
tors. eta vs tors. theta energy: -62.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -698.686111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.686111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.686111 (E_RNA)
where:
Base-Base interactions energy: -458.754
where: short stacking energy: -199.909
Base-Backbone interact. energy: -0.670
local terms energy: -239.262257
where:
bonds (distance) C4'-P energy: -60.673
bonds (distance) P-C4' energy: -49.194
flat angles C4'-P-C4' energy: -51.913
flat angles P-C4'-P energy: -33.756
tors. eta vs tors. theta energy: -43.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -455.118539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.118539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.118539 (E_RNA)
where:
Base-Base interactions energy: -248.061
where: short stacking energy: -141.215
Base-Backbone interact. energy: 0.411
local terms energy: -207.468491
where:
bonds (distance) C4'-P energy: -52.141
bonds (distance) P-C4' energy: -61.968
flat angles C4'-P-C4' energy: -49.649
flat angles P-C4'-P energy: -30.596
tors. eta vs tors. theta energy: -13.115
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: 7
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -281.379631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.379631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.379631 (E_RNA)
where:
Base-Base interactions energy: -103.922
where: short stacking energy: -97.090
Base-Backbone interact. energy: 2.341
local terms energy: -179.798923
where:
bonds (distance) C4'-P energy: -54.918
bonds (distance) P-C4' energy: -63.176
flat angles C4'-P-C4' energy: -44.524
flat angles P-C4'-P energy: -34.428
tors. eta vs tors. theta energy: 17.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -1146.178943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.178943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.178943 (E_RNA)
where:
Base-Base interactions energy: -791.021
where: short stacking energy: -338.688
Base-Backbone interact. energy: -0.202
local terms energy: -354.955976
where:
bonds (distance) C4'-P energy: -62.281
bonds (distance) P-C4' energy: -71.612
flat angles C4'-P-C4' energy: -79.169
flat angles P-C4'-P energy: -43.775
tors. eta vs tors. theta energy: -98.119
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: 2, replica: 2
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -1119.746161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.746161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.746161 (E_RNA)
where:
Base-Base interactions energy: -771.983
where: short stacking energy: -329.313
Base-Backbone interact. energy: 0.555
local terms energy: -348.318218
where:
bonds (distance) C4'-P energy: -61.188
bonds (distance) P-C4' energy: -67.375
flat angles C4'-P-C4' energy: -72.843
flat angles P-C4'-P energy: -53.232
tors. eta vs tors. theta energy: -93.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -1091.082475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.082475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.082475 (E_RNA)
where:
Base-Base interactions energy: -748.564
where: short stacking energy: -332.328
Base-Backbone interact. energy: -0.689
local terms energy: -341.829146
where:
bonds (distance) C4'-P energy: -59.234
bonds (distance) P-C4' energy: -62.946
flat angles C4'-P-C4' energy: -78.803
flat angles P-C4'-P energy: -51.241
tors. eta vs tors. theta energy: -89.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -1059.077598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.077598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.077598 (E_RNA)
where:
Base-Base interactions energy: -736.833
where: short stacking energy: -303.326
Base-Backbone interact. energy: 0.141
local terms energy: -322.385420
where:
bonds (distance) C4'-P energy: -68.675
bonds (distance) P-C4' energy: -58.659
flat angles C4'-P-C4' energy: -70.044
flat angles P-C4'-P energy: -50.974
tors. eta vs tors. theta energy: -74.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -962.641093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.641093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.641093 (E_RNA)
where:
Base-Base interactions energy: -644.495
where: short stacking energy: -263.284
Base-Backbone interact. energy: -0.552
local terms energy: -317.594139
where:
bonds (distance) C4'-P energy: -69.128
bonds (distance) P-C4' energy: -73.764
flat angles C4'-P-C4' energy: -62.725
flat angles P-C4'-P energy: -42.741
tors. eta vs tors. theta energy: -69.235
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: 4
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -967.611460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.611460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.611460 (E_RNA)
where:
Base-Base interactions energy: -666.684
where: short stacking energy: -281.298
Base-Backbone interact. energy: 5.271
local terms energy: -306.198146
where:
bonds (distance) C4'-P energy: -58.286
bonds (distance) P-C4' energy: -55.173
flat angles C4'-P-C4' energy: -73.251
flat angles P-C4'-P energy: -39.350
tors. eta vs tors. theta energy: -80.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -826.493239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.493239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.493239 (E_RNA)
where:
Base-Base interactions energy: -557.356
where: short stacking energy: -241.018
Base-Backbone interact. energy: -0.596
local terms energy: -268.541426
where:
bonds (distance) C4'-P energy: -55.293
bonds (distance) P-C4' energy: -57.031
flat angles C4'-P-C4' energy: -54.885
flat angles P-C4'-P energy: -40.862
tors. eta vs tors. theta energy: -60.471
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: 6
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -781.471350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.471350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.471350 (E_RNA)
where:
Base-Base interactions energy: -521.024
where: short stacking energy: -222.260
Base-Backbone interact. energy: -1.319
local terms energy: -259.128555
where:
bonds (distance) C4'-P energy: -60.040
bonds (distance) P-C4' energy: -46.974
flat angles C4'-P-C4' energy: -64.148
flat angles P-C4'-P energy: -31.999
tors. eta vs tors. theta energy: -55.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -485.315932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.315932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.315932 (E_RNA)
where:
Base-Base interactions energy: -286.440
where: short stacking energy: -144.934
Base-Backbone interact. energy: 2.423
local terms energy: -201.299397
where:
bonds (distance) C4'-P energy: -50.821
bonds (distance) P-C4' energy: -50.018
flat angles C4'-P-C4' energy: -46.178
flat angles P-C4'-P energy: -41.892
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: 10, replica: 7
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -296.837103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.837103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.837103 (E_RNA)
where:
Base-Base interactions energy: -106.107
where: short stacking energy: -88.700
Base-Backbone interact. energy: -0.584
local terms energy: -190.145958
where:
bonds (distance) C4'-P energy: -53.832
bonds (distance) P-C4' energy: -65.101
flat angles C4'-P-C4' energy: -48.025
flat angles P-C4'-P energy: -29.871
tors. eta vs tors. theta energy: 6.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -1162.874082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.874082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.874082 (E_RNA)
where:
Base-Base interactions energy: -810.704
where: short stacking energy: -345.232
Base-Backbone interact. energy: -1.056
local terms energy: -351.114063
where:
bonds (distance) C4'-P energy: -65.078
bonds (distance) P-C4' energy: -66.584
flat angles C4'-P-C4' energy: -72.458
flat angles P-C4'-P energy: -52.011
tors. eta vs tors. theta energy: -94.982
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: 2, replica: 2
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -1136.208666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.208666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.208666 (E_RNA)
where:
Base-Base interactions energy: -790.006
where: short stacking energy: -341.315
Base-Backbone interact. energy: 2.489
local terms energy: -348.691563
where:
bonds (distance) C4'-P energy: -63.710
bonds (distance) P-C4' energy: -71.017
flat angles C4'-P-C4' energy: -71.578
flat angles P-C4'-P energy: -47.188
tors. eta vs tors. theta energy: -95.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -1110.855410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.855410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.855410 (E_RNA)
where:
Base-Base interactions energy: -757.201
where: short stacking energy: -334.873
Base-Backbone interact. energy: 0.304
local terms energy: -353.958106
where:
bonds (distance) C4'-P energy: -60.806
bonds (distance) P-C4' energy: -63.131
flat angles C4'-P-C4' energy: -78.129
flat angles P-C4'-P energy: -50.148
tors. eta vs tors. theta energy: -101.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -1061.449011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.449011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.449011 (E_RNA)
where:
Base-Base interactions energy: -732.407
where: short stacking energy: -319.814
Base-Backbone interact. energy: -2.501
local terms energy: -326.540237
where:
bonds (distance) C4'-P energy: -56.176
bonds (distance) P-C4' energy: -69.655
flat angles C4'-P-C4' energy: -69.616
flat angles P-C4'-P energy: -49.028
tors. eta vs tors. theta energy: -82.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -937.082548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.082548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.082548 (E_RNA)
where:
Base-Base interactions energy: -635.601
where: short stacking energy: -277.104
Base-Backbone interact. energy: -1.829
local terms energy: -299.653324
where:
bonds (distance) C4'-P energy: -56.171
bonds (distance) P-C4' energy: -68.928
flat angles C4'-P-C4' energy: -70.046
flat angles P-C4'-P energy: -33.851
tors. eta vs tors. theta energy: -70.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -985.383794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.383794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.383794 (E_RNA)
where:
Base-Base interactions energy: -661.485
where: short stacking energy: -304.799
Base-Backbone interact. energy: -1.782
local terms energy: -322.116257
where:
bonds (distance) C4'-P energy: -56.094
bonds (distance) P-C4' energy: -60.372
flat angles C4'-P-C4' energy: -65.216
flat angles P-C4'-P energy: -48.376
tors. eta vs tors. theta energy: -92.058
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: 213
Temperature: 1.200000
Total energy: -843.635424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.635424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.635424 (E_RNA)
where:
Base-Base interactions energy: -570.428
where: short stacking energy: -240.845
Base-Backbone interact. energy: -0.325
local terms energy: -272.881998
where:
bonds (distance) C4'-P energy: -62.218
bonds (distance) P-C4' energy: -57.460
flat angles C4'-P-C4' energy: -63.402
flat angles P-C4'-P energy: -35.845
tors. eta vs tors. theta energy: -53.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -736.925011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.925011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.925011 (E_RNA)
where:
Base-Base interactions energy: -476.523
where: short stacking energy: -209.550
Base-Backbone interact. energy: -1.733
local terms energy: -258.669439
where:
bonds (distance) C4'-P energy: -62.881
bonds (distance) P-C4' energy: -52.296
flat angles C4'-P-C4' energy: -51.132
flat angles P-C4'-P energy: -39.691
tors. eta vs tors. theta energy: -52.669
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: 213
Temperature: 1.300000
Total energy: -485.587215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.587215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.587215 (E_RNA)
where:
Base-Base interactions energy: -266.991
where: short stacking energy: -140.737
Base-Backbone interact. energy: 2.150
local terms energy: -220.745739
where:
bonds (distance) C4'-P energy: -60.267
bonds (distance) P-C4' energy: -55.366
flat angles C4'-P-C4' energy: -59.777
flat angles P-C4'-P energy: -28.864
tors. eta vs tors. theta energy: -16.471
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: 10, replica: 7
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -277.907221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.907221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.907221 (E_RNA)
where:
Base-Base interactions energy: -102.459
where: short stacking energy: -92.868
Base-Backbone interact. energy: 0.024
local terms energy: -175.471855
where:
bonds (distance) C4'-P energy: -42.889
bonds (distance) P-C4' energy: -55.684
flat angles C4'-P-C4' energy: -48.612
flat angles P-C4'-P energy: -25.617
tors. eta vs tors. theta energy: -2.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -1142.873985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.873985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.873985 (E_RNA)
where:
Base-Base interactions energy: -792.259
where: short stacking energy: -352.516
Base-Backbone interact. energy: 1.703
local terms energy: -352.318784
where:
bonds (distance) C4'-P energy: -60.914
bonds (distance) P-C4' energy: -66.671
flat angles C4'-P-C4' energy: -72.635
flat angles P-C4'-P energy: -53.921
tors. eta vs tors. theta energy: -98.178
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: 214
Temperature: 0.950000
Total energy: -1123.797610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.797610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.797610 (E_RNA)
where:
Base-Base interactions energy: -773.533
where: short stacking energy: -330.846
Base-Backbone interact. energy: -2.195
local terms energy: -348.069271
where:
bonds (distance) C4'-P energy: -67.899
bonds (distance) P-C4' energy: -72.749
flat angles C4'-P-C4' energy: -69.669
flat angles P-C4'-P energy: -51.163
tors. eta vs tors. theta energy: -86.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -1112.443509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.443509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.443509 (E_RNA)
where:
Base-Base interactions energy: -770.331
where: short stacking energy: -326.761
Base-Backbone interact. energy: 0.558
local terms energy: -342.670575
where:
bonds (distance) C4'-P energy: -60.926
bonds (distance) P-C4' energy: -68.946
flat angles C4'-P-C4' energy: -73.487
flat angles P-C4'-P energy: -43.931
tors. eta vs tors. theta energy: -95.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -1072.088211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.088211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.088211 (E_RNA)
where:
Base-Base interactions energy: -748.443
where: short stacking energy: -322.786
Base-Backbone interact. energy: 0.590
local terms energy: -324.234808
where:
bonds (distance) C4'-P energy: -70.500
bonds (distance) P-C4' energy: -55.722
flat angles C4'-P-C4' energy: -73.194
flat angles P-C4'-P energy: -36.513
tors. eta vs tors. theta energy: -88.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -965.425903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.425903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.425903 (E_RNA)
where:
Base-Base interactions energy: -654.843
where: short stacking energy: -314.658
Base-Backbone interact. energy: 0.138
local terms energy: -310.721033
where:
bonds (distance) C4'-P energy: -57.183
bonds (distance) P-C4' energy: -50.816
flat angles C4'-P-C4' energy: -68.246
flat angles P-C4'-P energy: -47.929
tors. eta vs tors. theta energy: -86.547
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: 9
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -919.145767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.145767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.145767 (E_RNA)
where:
Base-Base interactions energy: -632.234
where: short stacking energy: -258.246
Base-Backbone interact. energy: 0.690
local terms energy: -287.602259
where:
bonds (distance) C4'-P energy: -56.840
bonds (distance) P-C4' energy: -47.367
flat angles C4'-P-C4' energy: -72.440
flat angles P-C4'-P energy: -38.983
tors. eta vs tors. theta energy: -71.972
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: 7, replica: 3
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -867.471595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.471595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.471595 (E_RNA)
where:
Base-Base interactions energy: -587.859
where: short stacking energy: -265.634
Base-Backbone interact. energy: -2.222
local terms energy: -277.391172
where:
bonds (distance) C4'-P energy: -61.362
bonds (distance) P-C4' energy: -44.534
flat angles C4'-P-C4' energy: -62.669
flat angles P-C4'-P energy: -36.899
tors. eta vs tors. theta energy: -71.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -729.021824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.021824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.021824 (E_RNA)
where:
Base-Base interactions energy: -492.139
where: short stacking energy: -197.168
Base-Backbone interact. energy: 0.639
local terms energy: -237.521717
where:
bonds (distance) C4'-P energy: -49.055
bonds (distance) P-C4' energy: -64.136
flat angles C4'-P-C4' energy: -58.940
flat angles P-C4'-P energy: -29.415
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: 9, replica: 5
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -478.569412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.569412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.569412 (E_RNA)
where:
Base-Base interactions energy: -259.975
where: short stacking energy: -117.758
Base-Backbone interact. energy: 5.262
local terms energy: -223.855521
where:
bonds (distance) C4'-P energy: -55.883
bonds (distance) P-C4' energy: -55.272
flat angles C4'-P-C4' energy: -62.404
flat angles P-C4'-P energy: -44.124
tors. eta vs tors. theta energy: -6.172
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: 10, replica: 7
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -272.474520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.474520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.474520 (E_RNA)
where:
Base-Base interactions energy: -108.921
where: short stacking energy: -66.394
Base-Backbone interact. energy: -0.253
local terms energy: -163.299809
where:
bonds (distance) C4'-P energy: -40.593
bonds (distance) P-C4' energy: -61.364
flat angles C4'-P-C4' energy: -44.278
flat angles P-C4'-P energy: -22.681
tors. eta vs tors. theta energy: 5.616
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: 2
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -1156.159435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.159435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.159435 (E_RNA)
where:
Base-Base interactions energy: -807.572
where: short stacking energy: -341.081
Base-Backbone interact. energy: -1.429
local terms energy: -347.158721
where:
bonds (distance) C4'-P energy: -68.840
bonds (distance) P-C4' energy: -68.597
flat angles C4'-P-C4' energy: -71.500
flat angles P-C4'-P energy: -49.464
tors. eta vs tors. theta energy: -88.757
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: 2, replica: 1
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -1122.163332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.163332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.163332 (E_RNA)
where:
Base-Base interactions energy: -762.861
where: short stacking energy: -342.952
Base-Backbone interact. energy: -1.354
local terms energy: -357.949000
where:
bonds (distance) C4'-P energy: -68.335
bonds (distance) P-C4' energy: -61.553
flat angles C4'-P-C4' energy: -73.670
flat angles P-C4'-P energy: -53.137
tors. eta vs tors. theta energy: -101.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -1096.666760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.666760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.666760 (E_RNA)
where:
Base-Base interactions energy: -765.571
where: short stacking energy: -321.588
Base-Backbone interact. energy: -0.017
local terms energy: -331.079264
where:
bonds (distance) C4'-P energy: -55.855
bonds (distance) P-C4' energy: -64.894
flat angles C4'-P-C4' energy: -76.275
flat angles P-C4'-P energy: -42.753
tors. eta vs tors. theta energy: -91.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -1042.542592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.542592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.542592 (E_RNA)
where:
Base-Base interactions energy: -737.524
where: short stacking energy: -301.169
Base-Backbone interact. energy: -1.415
local terms energy: -303.603585
where:
bonds (distance) C4'-P energy: -61.671
bonds (distance) P-C4' energy: -65.300
flat angles C4'-P-C4' energy: -54.600
flat angles P-C4'-P energy: -45.818
tors. eta vs tors. theta energy: -76.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -997.271272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.271272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.271272 (E_RNA)
where:
Base-Base interactions energy: -685.124
where: short stacking energy: -299.713
Base-Backbone interact. energy: -2.401
local terms energy: -309.745899
where:
bonds (distance) C4'-P energy: -70.381
bonds (distance) P-C4' energy: -57.460
flat angles C4'-P-C4' energy: -64.413
flat angles P-C4'-P energy: -37.472
tors. eta vs tors. theta energy: -80.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -929.035774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.035774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.035774 (E_RNA)
where:
Base-Base interactions energy: -621.089
where: short stacking energy: -268.757
Base-Backbone interact. energy: 3.967
local terms energy: -311.914230
where:
bonds (distance) C4'-P energy: -59.339
bonds (distance) P-C4' energy: -67.655
flat angles C4'-P-C4' energy: -69.633
flat angles P-C4'-P energy: -43.949
tors. eta vs tors. theta energy: -71.339
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: 7, replica: 3
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -872.581127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.581127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.581127 (E_RNA)
where:
Base-Base interactions energy: -579.232
where: short stacking energy: -273.767
Base-Backbone interact. energy: 1.965
local terms energy: -295.313421
where:
bonds (distance) C4'-P energy: -54.090
bonds (distance) P-C4' energy: -58.030
flat angles C4'-P-C4' energy: -65.713
flat angles P-C4'-P energy: -41.031
tors. eta vs tors. theta energy: -76.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -765.332493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.332493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.332493 (E_RNA)
where:
Base-Base interactions energy: -507.373
where: short stacking energy: -200.225
Base-Backbone interact. energy: -1.399
local terms energy: -256.560898
where:
bonds (distance) C4'-P energy: -51.885
bonds (distance) P-C4' energy: -62.834
flat angles C4'-P-C4' energy: -65.890
flat angles P-C4'-P energy: -33.695
tors. eta vs tors. theta energy: -42.257
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: 215
Temperature: 1.300000
Total energy: -505.770682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.770682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.770682 (E_RNA)
where:
Base-Base interactions energy: -268.489
where: short stacking energy: -142.621
Base-Backbone interact. energy: -0.516
local terms energy: -236.765850
where:
bonds (distance) C4'-P energy: -58.806
bonds (distance) P-C4' energy: -65.853
flat angles C4'-P-C4' energy: -57.768
flat angles P-C4'-P energy: -32.016
tors. eta vs tors. theta energy: -22.322
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: 10, replica: 7
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -285.420335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.420335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.420335 (E_RNA)
where:
Base-Base interactions energy: -101.786
where: short stacking energy: -95.335
Base-Backbone interact. energy: -0.673
local terms energy: -182.961796
where:
bonds (distance) C4'-P energy: -48.103
bonds (distance) P-C4' energy: -54.390
flat angles C4'-P-C4' energy: -63.881
flat angles P-C4'-P energy: -20.040
tors. eta vs tors. theta energy: 3.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -1150.377823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.377823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.377823 (E_RNA)
where:
Base-Base interactions energy: -779.363
where: short stacking energy: -351.120
Base-Backbone interact. energy: -2.247
local terms energy: -368.767947
where:
bonds (distance) C4'-P energy: -69.563
bonds (distance) P-C4' energy: -68.967
flat angles C4'-P-C4' energy: -77.656
flat angles P-C4'-P energy: -48.463
tors. eta vs tors. theta energy: -104.117
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: 1
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -1135.949811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.949811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.949811 (E_RNA)
where:
Base-Base interactions energy: -772.912
where: short stacking energy: -344.750
Base-Backbone interact. energy: -1.310
local terms energy: -361.727526
where:
bonds (distance) C4'-P energy: -70.051
bonds (distance) P-C4' energy: -73.117
flat angles C4'-P-C4' energy: -72.816
flat angles P-C4'-P energy: -45.807
tors. eta vs tors. theta energy: -99.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -1099.153687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.153687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.153687 (E_RNA)
where:
Base-Base interactions energy: -761.506
where: short stacking energy: -337.925
Base-Backbone interact. energy: 1.897
local terms energy: -339.544195
where:
bonds (distance) C4'-P energy: -70.719
bonds (distance) P-C4' energy: -60.215
flat angles C4'-P-C4' energy: -72.194
flat angles P-C4'-P energy: -50.174
tors. eta vs tors. theta energy: -86.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -1055.340412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.340412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.340412 (E_RNA)
where:
Base-Base interactions energy: -757.637
where: short stacking energy: -323.274
Base-Backbone interact. energy: -0.889
local terms energy: -296.813660
where:
bonds (distance) C4'-P energy: -46.299
bonds (distance) P-C4' energy: -47.105
flat angles C4'-P-C4' energy: -69.025
flat angles P-C4'-P energy: -45.655
tors. eta vs tors. theta energy: -88.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -980.235171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.235171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.235171 (E_RNA)
where:
Base-Base interactions energy: -660.701
where: short stacking energy: -305.410
Base-Backbone interact. energy: -2.681
local terms energy: -316.853109
where:
bonds (distance) C4'-P energy: -51.074
bonds (distance) P-C4' energy: -65.230
flat angles C4'-P-C4' energy: -61.182
flat angles P-C4'-P energy: -47.492
tors. eta vs tors. theta energy: -91.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -919.607006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.607006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.607006 (E_RNA)
where:
Base-Base interactions energy: -630.694
where: short stacking energy: -248.707
Base-Backbone interact. energy: 1.190
local terms energy: -290.103481
where:
bonds (distance) C4'-P energy: -62.901
bonds (distance) P-C4' energy: -60.236
flat angles C4'-P-C4' energy: -65.488
flat angles P-C4'-P energy: -38.090
tors. eta vs tors. theta energy: -63.389
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: 216
Temperature: 1.200000
Total energy: -827.170991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.170991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.170991 (E_RNA)
where:
Base-Base interactions energy: -545.471
where: short stacking energy: -262.983
Base-Backbone interact. energy: 0.813
local terms energy: -282.512837
where:
bonds (distance) C4'-P energy: -44.492
bonds (distance) P-C4' energy: -58.901
flat angles C4'-P-C4' energy: -59.112
flat angles P-C4'-P energy: -39.755
tors. eta vs tors. theta energy: -80.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -765.732112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.732112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.732112 (E_RNA)
where:
Base-Base interactions energy: -515.222
where: short stacking energy: -210.973
Base-Backbone interact. energy: -1.615
local terms energy: -248.895335
where:
bonds (distance) C4'-P energy: -38.993
bonds (distance) P-C4' energy: -64.202
flat angles C4'-P-C4' energy: -63.683
flat angles P-C4'-P energy: -39.927
tors. eta vs tors. theta energy: -42.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -429.460244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.460244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.460244 (E_RNA)
where:
Base-Base interactions energy: -212.724
where: short stacking energy: -119.421
Base-Backbone interact. energy: -1.049
local terms energy: -215.687227
where:
bonds (distance) C4'-P energy: -57.354
bonds (distance) P-C4' energy: -59.817
flat angles C4'-P-C4' energy: -55.694
flat angles P-C4'-P energy: -29.130
tors. eta vs tors. theta energy: -13.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -282.262946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.262946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.262946 (E_RNA)
where:
Base-Base interactions energy: -93.963
where: short stacking energy: -73.342
Base-Backbone interact. energy: -1.746
local terms energy: -186.554555
where:
bonds (distance) C4'-P energy: -58.090
bonds (distance) P-C4' energy: -50.274
flat angles C4'-P-C4' energy: -46.984
flat angles P-C4'-P energy: -27.839
tors. eta vs tors. theta energy: -3.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -1164.554261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.554261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.554261 (E_RNA)
where:
Base-Base interactions energy: -802.773
where: short stacking energy: -361.935
Base-Backbone interact. energy: -1.013
local terms energy: -360.768988
where:
bonds (distance) C4'-P energy: -69.105
bonds (distance) P-C4' energy: -61.355
flat angles C4'-P-C4' energy: -71.356
flat angles P-C4'-P energy: -53.968
tors. eta vs tors. theta energy: -104.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -1140.372280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.372280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.372280 (E_RNA)
where:
Base-Base interactions energy: -796.354
where: short stacking energy: -335.775
Base-Backbone interact. energy: -0.324
local terms energy: -343.693990
where:
bonds (distance) C4'-P energy: -52.890
bonds (distance) P-C4' energy: -68.780
flat angles C4'-P-C4' energy: -69.901
flat angles P-C4'-P energy: -60.156
tors. eta vs tors. theta energy: -91.968
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: 10
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -1109.803548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.803548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.803548 (E_RNA)
where:
Base-Base interactions energy: -771.713
where: short stacking energy: -313.875
Base-Backbone interact. energy: 2.183
local terms energy: -340.272628
where:
bonds (distance) C4'-P energy: -70.397
bonds (distance) P-C4' energy: -67.242
flat angles C4'-P-C4' energy: -72.298
flat angles P-C4'-P energy: -43.979
tors. eta vs tors. theta energy: -86.356
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: 8
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -1074.018564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.018564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.018564 (E_RNA)
where:
Base-Base interactions energy: -775.274
where: short stacking energy: -326.924
Base-Backbone interact. energy: -1.852
local terms energy: -296.892717
where:
bonds (distance) C4'-P energy: -53.379
bonds (distance) P-C4' energy: -55.725
flat angles C4'-P-C4' energy: -63.243
flat angles P-C4'-P energy: -41.610
tors. eta vs tors. theta energy: -82.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -1003.719751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.719751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.719751 (E_RNA)
where:
Base-Base interactions energy: -688.105
where: short stacking energy: -287.518
Base-Backbone interact. energy: -2.336
local terms energy: -313.279221
where:
bonds (distance) C4'-P energy: -62.205
bonds (distance) P-C4' energy: -55.320
flat angles C4'-P-C4' energy: -70.377
flat angles P-C4'-P energy: -44.743
tors. eta vs tors. theta energy: -80.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -909.218107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.218107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.218107 (E_RNA)
where:
Base-Base interactions energy: -615.577
where: short stacking energy: -257.930
Base-Backbone interact. energy: 1.299
local terms energy: -294.939891
where:
bonds (distance) C4'-P energy: -58.741
bonds (distance) P-C4' energy: -60.271
flat angles C4'-P-C4' energy: -67.730
flat angles P-C4'-P energy: -46.954
tors. eta vs tors. theta energy: -61.244
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: 3
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -839.315953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.315953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.315953 (E_RNA)
where:
Base-Base interactions energy: -548.097
where: short stacking energy: -242.282
Base-Backbone interact. energy: 0.587
local terms energy: -291.806285
where:
bonds (distance) C4'-P energy: -41.730
bonds (distance) P-C4' energy: -61.424
flat angles C4'-P-C4' energy: -74.086
flat angles P-C4'-P energy: -48.106
tors. eta vs tors. theta energy: -66.461
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: 6
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -818.808909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.808909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.808909 (E_RNA)
where:
Base-Base interactions energy: -524.059
where: short stacking energy: -239.675
Base-Backbone interact. energy: -2.070
local terms energy: -292.679737
where:
bonds (distance) C4'-P energy: -66.398
bonds (distance) P-C4' energy: -62.966
flat angles C4'-P-C4' energy: -55.697
flat angles P-C4'-P energy: -40.656
tors. eta vs tors. theta energy: -66.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -405.447979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.447979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.447979 (E_RNA)
where:
Base-Base interactions energy: -223.041
where: short stacking energy: -117.578
Base-Backbone interact. energy: -0.232
local terms energy: -182.174843
where:
bonds (distance) C4'-P energy: -61.827
bonds (distance) P-C4' energy: -48.536
flat angles C4'-P-C4' energy: -44.942
flat angles P-C4'-P energy: -19.158
tors. eta vs tors. theta energy: -7.712
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: 7
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -271.340985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.340985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.340985 (E_RNA)
where:
Base-Base interactions energy: -101.083
where: short stacking energy: -65.780
Base-Backbone interact. energy: -0.900
local terms energy: -169.358686
where:
bonds (distance) C4'-P energy: -51.260
bonds (distance) P-C4' energy: -61.058
flat angles C4'-P-C4' energy: -47.159
flat angles P-C4'-P energy: -22.070
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: 1, replica: 1
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -1157.293798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.293798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.293798 (E_RNA)
where:
Base-Base interactions energy: -799.313
where: short stacking energy: -368.699
Base-Backbone interact. energy: -0.575
local terms energy: -357.404998
where:
bonds (distance) C4'-P energy: -59.657
bonds (distance) P-C4' energy: -71.229
flat angles C4'-P-C4' energy: -77.582
flat angles P-C4'-P energy: -44.723
tors. eta vs tors. theta energy: -104.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -1145.488205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.488205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.488205 (E_RNA)
where:
Base-Base interactions energy: -788.663
where: short stacking energy: -340.989
Base-Backbone interact. energy: -0.257
local terms energy: -356.568469
where:
bonds (distance) C4'-P energy: -64.603
bonds (distance) P-C4' energy: -65.276
flat angles C4'-P-C4' energy: -72.595
flat angles P-C4'-P energy: -55.124
tors. eta vs tors. theta energy: -98.970
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: 3, replica: 8
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -1091.211817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.211817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.211817 (E_RNA)
where:
Base-Base interactions energy: -759.107
where: short stacking energy: -329.647
Base-Backbone interact. energy: -1.326
local terms energy: -330.778482
where:
bonds (distance) C4'-P energy: -61.453
bonds (distance) P-C4' energy: -62.026
flat angles C4'-P-C4' energy: -64.832
flat angles P-C4'-P energy: -50.892
tors. eta vs tors. theta energy: -91.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -1077.656964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.656964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.656964 (E_RNA)
where:
Base-Base interactions energy: -747.759
where: short stacking energy: -300.262
Base-Backbone interact. energy: -0.470
local terms energy: -329.427669
where:
bonds (distance) C4'-P energy: -63.686
bonds (distance) P-C4' energy: -67.176
flat angles C4'-P-C4' energy: -65.245
flat angles P-C4'-P energy: -50.443
tors. eta vs tors. theta energy: -82.877
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: 4
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -1003.260768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.260768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.260768 (E_RNA)
where:
Base-Base interactions energy: -690.952
where: short stacking energy: -288.827
Base-Backbone interact. energy: -0.796
local terms energy: -311.512535
where:
bonds (distance) C4'-P energy: -57.621
bonds (distance) P-C4' energy: -63.710
flat angles C4'-P-C4' energy: -69.418
flat angles P-C4'-P energy: -44.714
tors. eta vs tors. theta energy: -76.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -879.632880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.632880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.632880 (E_RNA)
where:
Base-Base interactions energy: -617.639
where: short stacking energy: -255.918
Base-Backbone interact. energy: -2.515
local terms energy: -259.478966
where:
bonds (distance) C4'-P energy: -57.909
bonds (distance) P-C4' energy: -51.274
flat angles C4'-P-C4' energy: -54.242
flat angles P-C4'-P energy: -48.892
tors. eta vs tors. theta energy: -47.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -834.002513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.002513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.002513 (E_RNA)
where:
Base-Base interactions energy: -552.351
where: short stacking energy: -262.370
Base-Backbone interact. energy: 1.371
local terms energy: -283.022438
where:
bonds (distance) C4'-P energy: -50.807
bonds (distance) P-C4' energy: -62.224
flat angles C4'-P-C4' energy: -67.724
flat angles P-C4'-P energy: -30.720
tors. eta vs tors. theta energy: -71.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -787.283453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.283453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.283453 (E_RNA)
where:
Base-Base interactions energy: -518.411
where: short stacking energy: -232.732
Base-Backbone interact. energy: -0.573
local terms energy: -268.299104
where:
bonds (distance) C4'-P energy: -66.876
bonds (distance) P-C4' energy: -61.250
flat angles C4'-P-C4' energy: -51.126
flat angles P-C4'-P energy: -18.052
tors. eta vs tors. theta energy: -70.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -426.877769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.877769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.877769 (E_RNA)
where:
Base-Base interactions energy: -212.805
where: short stacking energy: -126.191
Base-Backbone interact. energy: -0.947
local terms energy: -213.125403
where:
bonds (distance) C4'-P energy: -57.620
bonds (distance) P-C4' energy: -54.225
flat angles C4'-P-C4' energy: -55.406
flat angles P-C4'-P energy: -35.106
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: 10, replica: 7
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -275.759023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.759023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.759023 (E_RNA)
where:
Base-Base interactions energy: -87.002
where: short stacking energy: -79.609
Base-Backbone interact. energy: -0.831
local terms energy: -187.925570
where:
bonds (distance) C4'-P energy: -49.068
bonds (distance) P-C4' energy: -60.091
flat angles C4'-P-C4' energy: -43.493
flat angles P-C4'-P energy: -45.645
tors. eta vs tors. theta energy: 10.372
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: 1, replica: 1
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -1183.058665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.058665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.058665 (E_RNA)
where:
Base-Base interactions energy: -822.464
where: short stacking energy: -377.204
Base-Backbone interact. energy: -1.247
local terms energy: -359.347625
where:
bonds (distance) C4'-P energy: -68.339
bonds (distance) P-C4' energy: -65.437
flat angles C4'-P-C4' energy: -80.237
flat angles P-C4'-P energy: -43.108
tors. eta vs tors. theta energy: -102.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -1100.659622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.659622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.659622 (E_RNA)
where:
Base-Base interactions energy: -762.788
where: short stacking energy: -313.930
Base-Backbone interact. energy: -0.992
local terms energy: -336.880191
where:
bonds (distance) C4'-P energy: -63.727
bonds (distance) P-C4' energy: -66.635
flat angles C4'-P-C4' energy: -76.181
flat angles P-C4'-P energy: -45.519
tors. eta vs tors. theta energy: -84.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -1091.072444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.072444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.072444 (E_RNA)
where:
Base-Base interactions energy: -749.919
where: short stacking energy: -319.565
Base-Backbone interact. energy: -1.326
local terms energy: -339.827754
where:
bonds (distance) C4'-P energy: -61.554
bonds (distance) P-C4' energy: -71.847
flat angles C4'-P-C4' energy: -70.888
flat angles P-C4'-P energy: -47.749
tors. eta vs tors. theta energy: -87.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -1044.008580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.008580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.008580 (E_RNA)
where:
Base-Base interactions energy: -729.747
where: short stacking energy: -319.587
Base-Backbone interact. energy: -0.750
local terms energy: -313.511411
where:
bonds (distance) C4'-P energy: -50.159
bonds (distance) P-C4' energy: -63.918
flat angles C4'-P-C4' energy: -69.093
flat angles P-C4'-P energy: -42.092
tors. eta vs tors. theta energy: -88.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -994.440192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.440192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.440192 (E_RNA)
where:
Base-Base interactions energy: -693.545
where: short stacking energy: -290.364
Base-Backbone interact. energy: 0.358
local terms energy: -301.252996
where:
bonds (distance) C4'-P energy: -64.993
bonds (distance) P-C4' energy: -52.637
flat angles C4'-P-C4' energy: -66.000
flat angles P-C4'-P energy: -46.353
tors. eta vs tors. theta energy: -71.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -881.634954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.634954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.634954 (E_RNA)
where:
Base-Base interactions energy: -594.802
where: short stacking energy: -267.271
Base-Backbone interact. energy: 4.094
local terms energy: -290.926525
where:
bonds (distance) C4'-P energy: -48.877
bonds (distance) P-C4' energy: -50.756
flat angles C4'-P-C4' energy: -81.261
flat angles P-C4'-P energy: -44.457
tors. eta vs tors. theta energy: -65.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -846.347797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.347797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.347797 (E_RNA)
where:
Base-Base interactions energy: -540.040
where: short stacking energy: -246.722
Base-Backbone interact. energy: -0.509
local terms energy: -305.799001
where:
bonds (distance) C4'-P energy: -68.331
bonds (distance) P-C4' energy: -56.901
flat angles C4'-P-C4' energy: -61.755
flat angles P-C4'-P energy: -49.123
tors. eta vs tors. theta energy: -69.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -752.273710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.273710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.273710 (E_RNA)
where:
Base-Base interactions energy: -496.736
where: short stacking energy: -197.488
Base-Backbone interact. energy: -1.988
local terms energy: -253.550201
where:
bonds (distance) C4'-P energy: -51.791
bonds (distance) P-C4' energy: -62.464
flat angles C4'-P-C4' energy: -56.845
flat angles P-C4'-P energy: -36.327
tors. eta vs tors. theta energy: -46.124
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: 5
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -490.190053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.190053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.190053 (E_RNA)
where:
Base-Base interactions energy: -273.690
where: short stacking energy: -167.043
Base-Backbone interact. energy: 2.012
local terms energy: -218.512458
where:
bonds (distance) C4'-P energy: -41.952
bonds (distance) P-C4' energy: -54.479
flat angles C4'-P-C4' energy: -60.018
flat angles P-C4'-P energy: -27.084
tors. eta vs tors. theta energy: -34.979
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: 7
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -281.034596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.034596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.034596 (E_RNA)
where:
Base-Base interactions energy: -96.182
where: short stacking energy: -83.888
Base-Backbone interact. energy: 4.017
local terms energy: -188.868733
where:
bonds (distance) C4'-P energy: -66.495
bonds (distance) P-C4' energy: -53.046
flat angles C4'-P-C4' energy: -54.958
flat angles P-C4'-P energy: -21.996
tors. eta vs tors. theta energy: 7.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -1121.995827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.995827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.995827 (E_RNA)
where:
Base-Base interactions energy: -779.585
where: short stacking energy: -325.587
Base-Backbone interact. energy: 0.122
local terms energy: -342.532662
where:
bonds (distance) C4'-P energy: -66.547
bonds (distance) P-C4' energy: -68.406
flat angles C4'-P-C4' energy: -80.213
flat angles P-C4'-P energy: -43.552
tors. eta vs tors. theta energy: -83.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -1143.514685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.514685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.514685 (E_RNA)
where:
Base-Base interactions energy: -789.319
where: short stacking energy: -351.744
Base-Backbone interact. energy: -1.071
local terms energy: -353.125034
where:
bonds (distance) C4'-P energy: -61.614
bonds (distance) P-C4' energy: -62.845
flat angles C4'-P-C4' energy: -76.620
flat angles P-C4'-P energy: -53.736
tors. eta vs tors. theta energy: -98.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -1083.819382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.819382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.819382 (E_RNA)
where:
Base-Base interactions energy: -753.411
where: short stacking energy: -313.221
Base-Backbone interact. energy: -1.822
local terms energy: -328.586311
where:
bonds (distance) C4'-P energy: -60.928
bonds (distance) P-C4' energy: -61.785
flat angles C4'-P-C4' energy: -68.276
flat angles P-C4'-P energy: -40.425
tors. eta vs tors. theta energy: -97.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -1071.628831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.628831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.628831 (E_RNA)
where:
Base-Base interactions energy: -748.034
where: short stacking energy: -322.573
Base-Backbone interact. energy: -0.930
local terms energy: -322.665196
where:
bonds (distance) C4'-P energy: -66.616
bonds (distance) P-C4' energy: -52.629
flat angles C4'-P-C4' energy: -64.358
flat angles P-C4'-P energy: -38.450
tors. eta vs tors. theta energy: -100.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -1020.723789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.723789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.723789 (E_RNA)
where:
Base-Base interactions energy: -711.276
where: short stacking energy: -313.541
Base-Backbone interact. energy: -2.526
local terms energy: -306.921114
where:
bonds (distance) C4'-P energy: -58.111
bonds (distance) P-C4' energy: -53.027
flat angles C4'-P-C4' energy: -67.231
flat angles P-C4'-P energy: -37.906
tors. eta vs tors. theta energy: -90.647
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: 9
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -900.259980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.259980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.259980 (E_RNA)
where:
Base-Base interactions energy: -622.700
where: short stacking energy: -264.533
Base-Backbone interact. energy: 4.064
local terms energy: -281.623646
where:
bonds (distance) C4'-P energy: -50.951
bonds (distance) P-C4' energy: -61.532
flat angles C4'-P-C4' energy: -58.171
flat angles P-C4'-P energy: -51.383
tors. eta vs tors. theta energy: -59.586
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: 220
Temperature: 1.200000
Total energy: -867.475379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.475379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.475379 (E_RNA)
where:
Base-Base interactions energy: -582.447
where: short stacking energy: -253.899
Base-Backbone interact. energy: -0.836
local terms energy: -284.191679
where:
bonds (distance) C4'-P energy: -49.805
bonds (distance) P-C4' energy: -61.272
flat angles C4'-P-C4' energy: -68.597
flat angles P-C4'-P energy: -31.846
tors. eta vs tors. theta energy: -72.671
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: 6
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -733.829509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.829509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.829509 (E_RNA)
where:
Base-Base interactions energy: -470.409
where: short stacking energy: -209.633
Base-Backbone interact. energy: -1.783
local terms energy: -261.637942
where:
bonds (distance) C4'-P energy: -58.281
bonds (distance) P-C4' energy: -58.999
flat angles C4'-P-C4' energy: -64.521
flat angles P-C4'-P energy: -34.234
tors. eta vs tors. theta energy: -45.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -467.513632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.513632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.513632 (E_RNA)
where:
Base-Base interactions energy: -241.659
where: short stacking energy: -137.613
Base-Backbone interact. energy: -0.895
local terms energy: -224.959574
where:
bonds (distance) C4'-P energy: -49.700
bonds (distance) P-C4' energy: -58.355
flat angles C4'-P-C4' energy: -59.116
flat angles P-C4'-P energy: -31.965
tors. eta vs tors. theta energy: -25.824
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: 7
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -316.628818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.628818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.628818 (E_RNA)
where:
Base-Base interactions energy: -128.506
where: short stacking energy: -86.796
Base-Backbone interact. energy: 4.687
local terms energy: -192.809998
where:
bonds (distance) C4'-P energy: -59.136
bonds (distance) P-C4' energy: -48.945
flat angles C4'-P-C4' energy: -44.910
flat angles P-C4'-P energy: -37.802
tors. eta vs tors. theta energy: -2.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -1125.425224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.425224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.425224 (E_RNA)
where:
Base-Base interactions energy: -772.434
where: short stacking energy: -340.425
Base-Backbone interact. energy: 0.060
local terms energy: -353.051849
where:
bonds (distance) C4'-P energy: -66.157
bonds (distance) P-C4' energy: -64.052
flat angles C4'-P-C4' energy: -75.716
flat angles P-C4'-P energy: -54.605
tors. eta vs tors. theta energy: -92.522
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: 1
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -1154.889949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.889949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.889949 (E_RNA)
where:
Base-Base interactions energy: -798.453
where: short stacking energy: -349.212
Base-Backbone interact. energy: -2.401
local terms energy: -354.036765
where:
bonds (distance) C4'-P energy: -57.034
bonds (distance) P-C4' energy: -67.764
flat angles C4'-P-C4' energy: -74.127
flat angles P-C4'-P energy: -56.943
tors. eta vs tors. theta energy: -98.169
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: 2
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -1103.937043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.937043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.937043 (E_RNA)
where:
Base-Base interactions energy: -766.193
where: short stacking energy: -325.337
Base-Backbone interact. energy: -1.087
local terms energy: -336.657143
where:
bonds (distance) C4'-P energy: -55.876
bonds (distance) P-C4' energy: -68.684
flat angles C4'-P-C4' energy: -72.475
flat angles P-C4'-P energy: -49.577
tors. eta vs tors. theta energy: -90.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -1045.554732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.554732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.554732 (E_RNA)
where:
Base-Base interactions energy: -731.721
where: short stacking energy: -313.239
Base-Backbone interact. energy: -2.970
local terms energy: -310.863329
where:
bonds (distance) C4'-P energy: -49.447
bonds (distance) P-C4' energy: -55.749
flat angles C4'-P-C4' energy: -64.950
flat angles P-C4'-P energy: -49.424
tors. eta vs tors. theta energy: -91.292
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: 5, replica: 4
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -1014.372452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.372452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.372452 (E_RNA)
where:
Base-Base interactions energy: -701.960
where: short stacking energy: -302.575
Base-Backbone interact. energy: 1.370
local terms energy: -313.781900
where:
bonds (distance) C4'-P energy: -46.547
bonds (distance) P-C4' energy: -59.463
flat angles C4'-P-C4' energy: -67.093
flat angles P-C4'-P energy: -49.259
tors. eta vs tors. theta energy: -91.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -890.733458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.733458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.733458 (E_RNA)
where:
Base-Base interactions energy: -591.381
where: short stacking energy: -263.252
Base-Backbone interact. energy: 0.983
local terms energy: -300.335170
where:
bonds (distance) C4'-P energy: -60.348
bonds (distance) P-C4' energy: -59.275
flat angles C4'-P-C4' energy: -68.665
flat angles P-C4'-P energy: -40.341
tors. eta vs tors. theta energy: -71.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -876.247466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.247466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.247466 (E_RNA)
where:
Base-Base interactions energy: -590.093
where: short stacking energy: -257.222
Base-Backbone interact. energy: -1.020
local terms energy: -285.134048
where:
bonds (distance) C4'-P energy: -62.143
bonds (distance) P-C4' energy: -43.739
flat angles C4'-P-C4' energy: -66.638
flat angles P-C4'-P energy: -39.850
tors. eta vs tors. theta energy: -72.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -722.047508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.047508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.047508 (E_RNA)
where:
Base-Base interactions energy: -462.049
where: short stacking energy: -215.030
Base-Backbone interact. energy: -1.759
local terms energy: -258.239588
where:
bonds (distance) C4'-P energy: -65.247
bonds (distance) P-C4' energy: -53.492
flat angles C4'-P-C4' energy: -62.227
flat angles P-C4'-P energy: -25.628
tors. eta vs tors. theta energy: -51.646
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: 221
Temperature: 1.300000
Total energy: -486.127786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.127786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.127786 (E_RNA)
where:
Base-Base interactions energy: -278.375
where: short stacking energy: -138.463
Base-Backbone interact. energy: -0.563
local terms energy: -207.189107
where:
bonds (distance) C4'-P energy: -46.001
bonds (distance) P-C4' energy: -58.124
flat angles C4'-P-C4' energy: -65.464
flat angles P-C4'-P energy: -30.121
tors. eta vs tors. theta energy: -7.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -273.933816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.933816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.933816 (E_RNA)
where:
Base-Base interactions energy: -103.796
where: short stacking energy: -94.713
Base-Backbone interact. energy: 4.773
local terms energy: -174.911083
where:
bonds (distance) C4'-P energy: -46.908
bonds (distance) P-C4' energy: -60.292
flat angles C4'-P-C4' energy: -60.957
flat angles P-C4'-P energy: -13.419
tors. eta vs tors. theta energy: 6.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -1110.378682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.378682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.378682 (E_RNA)
where:
Base-Base interactions energy: -782.008
where: short stacking energy: -327.976
Base-Backbone interact. energy: 0.455
local terms energy: -328.825257
where:
bonds (distance) C4'-P energy: -66.022
bonds (distance) P-C4' energy: -67.152
flat angles C4'-P-C4' energy: -67.716
flat angles P-C4'-P energy: -44.855
tors. eta vs tors. theta energy: -83.080
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: 1
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -1147.526060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.526060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.526060 (E_RNA)
where:
Base-Base interactions energy: -780.973
where: short stacking energy: -356.025
Base-Backbone interact. energy: 0.083
local terms energy: -366.635650
where:
bonds (distance) C4'-P energy: -58.173
bonds (distance) P-C4' energy: -73.621
flat angles C4'-P-C4' energy: -78.312
flat angles P-C4'-P energy: -57.305
tors. eta vs tors. theta energy: -99.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -1078.747350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.747350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.747350 (E_RNA)
where:
Base-Base interactions energy: -751.854
where: short stacking energy: -330.978
Base-Backbone interact. energy: -0.219
local terms energy: -326.673843
where:
bonds (distance) C4'-P energy: -58.845
bonds (distance) P-C4' energy: -57.638
flat angles C4'-P-C4' energy: -69.776
flat angles P-C4'-P energy: -48.182
tors. eta vs tors. theta energy: -92.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -1058.266909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.266909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.266909 (E_RNA)
where:
Base-Base interactions energy: -734.675
where: short stacking energy: -321.115
Base-Backbone interact. energy: -1.363
local terms energy: -322.228978
where:
bonds (distance) C4'-P energy: -56.660
bonds (distance) P-C4' energy: -67.115
flat angles C4'-P-C4' energy: -65.628
flat angles P-C4'-P energy: -35.323
tors. eta vs tors. theta energy: -97.503
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: 222
Temperature: 1.100000
Total energy: -964.724251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.724251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.724251 (E_RNA)
where:
Base-Base interactions energy: -673.825
where: short stacking energy: -283.863
Base-Backbone interact. energy: 1.193
local terms energy: -292.092073
where:
bonds (distance) C4'-P energy: -47.182
bonds (distance) P-C4' energy: -59.027
flat angles C4'-P-C4' energy: -62.475
flat angles P-C4'-P energy: -52.309
tors. eta vs tors. theta energy: -71.100
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: 222
Temperature: 1.150000
Total energy: -888.973818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.973818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.973818 (E_RNA)
where:
Base-Base interactions energy: -579.025
where: short stacking energy: -259.063
Base-Backbone interact. energy: -0.276
local terms energy: -309.672661
where:
bonds (distance) C4'-P energy: -59.114
bonds (distance) P-C4' energy: -73.205
flat angles C4'-P-C4' energy: -66.036
flat angles P-C4'-P energy: -39.094
tors. eta vs tors. theta energy: -72.224
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: 222
Temperature: 1.200000
Total energy: -887.531419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.531419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.531419 (E_RNA)
where:
Base-Base interactions energy: -596.379
where: short stacking energy: -258.054
Base-Backbone interact. energy: -1.370
local terms energy: -289.783013
where:
bonds (distance) C4'-P energy: -60.349
bonds (distance) P-C4' energy: -58.042
flat angles C4'-P-C4' energy: -60.808
flat angles P-C4'-P energy: -42.252
tors. eta vs tors. theta energy: -68.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -723.849769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.849769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.849769 (E_RNA)
where:
Base-Base interactions energy: -462.550
where: short stacking energy: -201.544
Base-Backbone interact. energy: -3.435
local terms energy: -257.864451
where:
bonds (distance) C4'-P energy: -57.221
bonds (distance) P-C4' energy: -52.042
flat angles C4'-P-C4' energy: -54.096
flat angles P-C4'-P energy: -36.853
tors. eta vs tors. theta energy: -57.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -498.284069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.284069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.284069 (E_RNA)
where:
Base-Base interactions energy: -285.347
where: short stacking energy: -146.288
Base-Backbone interact. energy: -1.784
local terms energy: -211.152991
where:
bonds (distance) C4'-P energy: -57.681
bonds (distance) P-C4' energy: -63.663
flat angles C4'-P-C4' energy: -50.394
flat angles P-C4'-P energy: -34.563
tors. eta vs tors. theta energy: -4.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -279.632211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.632211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.632211 (E_RNA)
where:
Base-Base interactions energy: -94.191
where: short stacking energy: -85.896
Base-Backbone interact. energy: 0.992
local terms energy: -186.433227
where:
bonds (distance) C4'-P energy: -59.536
bonds (distance) P-C4' energy: -56.423
flat angles C4'-P-C4' energy: -36.500
flat angles P-C4'-P energy: -33.263
tors. eta vs tors. theta energy: -0.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -1138.178771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.178771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.178771 (E_RNA)
where:
Base-Base interactions energy: -806.503
where: short stacking energy: -339.367
Base-Backbone interact. energy: -1.639
local terms energy: -330.036127
where:
bonds (distance) C4'-P energy: -57.957
bonds (distance) P-C4' energy: -62.578
flat angles C4'-P-C4' energy: -70.486
flat angles P-C4'-P energy: -49.665
tors. eta vs tors. theta energy: -89.350
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: 1
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -1137.617832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.617832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.617832 (E_RNA)
where:
Base-Base interactions energy: -781.404
where: short stacking energy: -349.720
Base-Backbone interact. energy: -1.121
local terms energy: -355.093324
where:
bonds (distance) C4'-P energy: -60.004
bonds (distance) P-C4' energy: -60.799
flat angles C4'-P-C4' energy: -72.230
flat angles P-C4'-P energy: -59.422
tors. eta vs tors. theta energy: -102.639
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: 3, replica: 2
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -1081.899461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.899461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.899461 (E_RNA)
where:
Base-Base interactions energy: -766.833
where: short stacking energy: -329.892
Base-Backbone interact. energy: -1.534
local terms energy: -313.532626
where:
bonds (distance) C4'-P energy: -52.019
bonds (distance) P-C4' energy: -63.744
flat angles C4'-P-C4' energy: -66.504
flat angles P-C4'-P energy: -41.924
tors. eta vs tors. theta energy: -89.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -1024.060710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.060710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.060710 (E_RNA)
where:
Base-Base interactions energy: -710.570
where: short stacking energy: -310.224
Base-Backbone interact. energy: 1.426
local terms energy: -314.917065
where:
bonds (distance) C4'-P energy: -57.413
bonds (distance) P-C4' energy: -58.689
flat angles C4'-P-C4' energy: -67.875
flat angles P-C4'-P energy: -47.298
tors. eta vs tors. theta energy: -83.641
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: 4
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -971.647907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.647907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.647907 (E_RNA)
where:
Base-Base interactions energy: -652.164
where: short stacking energy: -277.945
Base-Backbone interact. energy: -0.325
local terms energy: -319.159276
where:
bonds (distance) C4'-P energy: -52.023
bonds (distance) P-C4' energy: -71.016
flat angles C4'-P-C4' energy: -71.585
flat angles P-C4'-P energy: -48.655
tors. eta vs tors. theta energy: -75.881
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: 9
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -913.723540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.723540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.723540 (E_RNA)
where:
Base-Base interactions energy: -633.667
where: short stacking energy: -237.931
Base-Backbone interact. energy: -2.228
local terms energy: -277.828916
where:
bonds (distance) C4'-P energy: -67.943
bonds (distance) P-C4' energy: -53.575
flat angles C4'-P-C4' energy: -61.431
flat angles P-C4'-P energy: -43.161
tors. eta vs tors. theta energy: -51.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -848.648256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.648256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.648256 (E_RNA)
where:
Base-Base interactions energy: -555.280
where: short stacking energy: -228.307
Base-Backbone interact. energy: -1.131
local terms energy: -292.236708
where:
bonds (distance) C4'-P energy: -57.290
bonds (distance) P-C4' energy: -62.061
flat angles C4'-P-C4' energy: -63.241
flat angles P-C4'-P energy: -40.723
tors. eta vs tors. theta energy: -68.922
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: 6
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -727.672563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.672563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.672563 (E_RNA)
where:
Base-Base interactions energy: -477.664
where: short stacking energy: -205.508
Base-Backbone interact. energy: -0.576
local terms energy: -249.432572
where:
bonds (distance) C4'-P energy: -64.578
bonds (distance) P-C4' energy: -58.935
flat angles C4'-P-C4' energy: -42.313
flat angles P-C4'-P energy: -37.147
tors. eta vs tors. theta energy: -46.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -423.327920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.327920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.327920 (E_RNA)
where:
Base-Base interactions energy: -211.531
where: short stacking energy: -115.933
Base-Backbone interact. energy: -1.197
local terms energy: -210.600076
where:
bonds (distance) C4'-P energy: -52.700
bonds (distance) P-C4' energy: -58.921
flat angles C4'-P-C4' energy: -56.105
flat angles P-C4'-P energy: -41.053
tors. eta vs tors. theta energy: -1.821
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: 7
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -287.283168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.283168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.283168 (E_RNA)
where:
Base-Base interactions energy: -122.564
where: short stacking energy: -67.862
Base-Backbone interact. energy: -1.369
local terms energy: -163.350106
where:
bonds (distance) C4'-P energy: -44.903
bonds (distance) P-C4' energy: -56.111
flat angles C4'-P-C4' energy: -49.877
flat angles P-C4'-P energy: -29.597
tors. eta vs tors. theta energy: 17.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -1153.402531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.402531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.402531 (E_RNA)
where:
Base-Base interactions energy: -797.518
where: short stacking energy: -355.037
Base-Backbone interact. energy: -2.242
local terms energy: -353.642831
where:
bonds (distance) C4'-P energy: -64.614
bonds (distance) P-C4' energy: -72.129
flat angles C4'-P-C4' energy: -76.110
flat angles P-C4'-P energy: -44.493
tors. eta vs tors. theta energy: -96.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -1134.520458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.520458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.520458 (E_RNA)
where:
Base-Base interactions energy: -760.370
where: short stacking energy: -342.410
Base-Backbone interact. energy: -1.944
local terms energy: -372.205871
where:
bonds (distance) C4'-P energy: -63.939
bonds (distance) P-C4' energy: -67.184
flat angles C4'-P-C4' energy: -77.492
flat angles P-C4'-P energy: -58.601
tors. eta vs tors. theta energy: -104.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -1082.811435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.811435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.811435 (E_RNA)
where:
Base-Base interactions energy: -735.249
where: short stacking energy: -315.577
Base-Backbone interact. energy: 1.051
local terms energy: -348.613569
where:
bonds (distance) C4'-P energy: -63.740
bonds (distance) P-C4' energy: -63.822
flat angles C4'-P-C4' energy: -74.628
flat angles P-C4'-P energy: -52.337
tors. eta vs tors. theta energy: -94.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -1030.380483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.380483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.380483 (E_RNA)
where:
Base-Base interactions energy: -694.754
where: short stacking energy: -312.727
Base-Backbone interact. energy: -1.300
local terms energy: -334.326838
where:
bonds (distance) C4'-P energy: -64.499
bonds (distance) P-C4' energy: -66.444
flat angles C4'-P-C4' energy: -64.995
flat angles P-C4'-P energy: -50.142
tors. eta vs tors. theta energy: -88.248
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: 4
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -991.171817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.171817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.171817 (E_RNA)
where:
Base-Base interactions energy: -683.379
where: short stacking energy: -291.708
Base-Backbone interact. energy: -1.755
local terms energy: -306.037427
where:
bonds (distance) C4'-P energy: -57.153
bonds (distance) P-C4' energy: -58.022
flat angles C4'-P-C4' energy: -68.566
flat angles P-C4'-P energy: -39.536
tors. eta vs tors. theta energy: -82.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -961.326982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.326982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.326982 (E_RNA)
where:
Base-Base interactions energy: -672.255
where: short stacking energy: -275.928
Base-Backbone interact. energy: 1.363
local terms energy: -290.434819
where:
bonds (distance) C4'-P energy: -57.960
bonds (distance) P-C4' energy: -62.168
flat angles C4'-P-C4' energy: -66.712
flat angles P-C4'-P energy: -32.506
tors. eta vs tors. theta energy: -71.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -831.371096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.371096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.371096 (E_RNA)
where:
Base-Base interactions energy: -569.959
where: short stacking energy: -246.715
Base-Backbone interact. energy: 2.901
local terms energy: -264.312858
where:
bonds (distance) C4'-P energy: -52.169
bonds (distance) P-C4' energy: -52.298
flat angles C4'-P-C4' energy: -53.551
flat angles P-C4'-P energy: -45.550
tors. eta vs tors. theta energy: -60.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -736.494590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.494590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.494590 (E_RNA)
where:
Base-Base interactions energy: -486.035
where: short stacking energy: -218.906
Base-Backbone interact. energy: -1.029
local terms energy: -249.430531
where:
bonds (distance) C4'-P energy: -50.422
bonds (distance) P-C4' energy: -53.176
flat angles C4'-P-C4' energy: -58.327
flat angles P-C4'-P energy: -35.505
tors. eta vs tors. theta energy: -52.001
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: 5
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -445.691094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.691094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.691094 (E_RNA)
where:
Base-Base interactions energy: -241.202
where: short stacking energy: -116.500
Base-Backbone interact. energy: -0.995
local terms energy: -203.493901
where:
bonds (distance) C4'-P energy: -51.772
bonds (distance) P-C4' energy: -63.302
flat angles C4'-P-C4' energy: -51.737
flat angles P-C4'-P energy: -33.941
tors. eta vs tors. theta energy: -2.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -281.741612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.741612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.741612 (E_RNA)
where:
Base-Base interactions energy: -95.634
where: short stacking energy: -87.098
Base-Backbone interact. energy: 0.592
local terms energy: -186.699060
where:
bonds (distance) C4'-P energy: -50.033
bonds (distance) P-C4' energy: -60.418
flat angles C4'-P-C4' energy: -48.831
flat angles P-C4'-P energy: -26.950
tors. eta vs tors. theta energy: -0.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -1135.081782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.081782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.081782 (E_RNA)
where:
Base-Base interactions energy: -784.165
where: short stacking energy: -342.661
Base-Backbone interact. energy: -0.708
local terms energy: -350.208777
where:
bonds (distance) C4'-P energy: -70.196
bonds (distance) P-C4' energy: -61.444
flat angles C4'-P-C4' energy: -75.314
flat angles P-C4'-P energy: -54.577
tors. eta vs tors. theta energy: -88.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -1122.187687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.187687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.187687 (E_RNA)
where:
Base-Base interactions energy: -778.039
where: short stacking energy: -347.971
Base-Backbone interact. energy: -0.863
local terms energy: -343.285234
where:
bonds (distance) C4'-P energy: -65.226
bonds (distance) P-C4' energy: -58.877
flat angles C4'-P-C4' energy: -71.428
flat angles P-C4'-P energy: -51.402
tors. eta vs tors. theta energy: -96.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -1067.126431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.126431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.126431 (E_RNA)
where:
Base-Base interactions energy: -741.033
where: short stacking energy: -326.163
Base-Backbone interact. energy: -0.304
local terms energy: -325.789304
where:
bonds (distance) C4'-P energy: -55.479
bonds (distance) P-C4' energy: -65.364
flat angles C4'-P-C4' energy: -68.031
flat angles P-C4'-P energy: -49.700
tors. eta vs tors. theta energy: -87.216
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: 4, replica: 10
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -1051.788033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.788033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.788033 (E_RNA)
where:
Base-Base interactions energy: -731.006
where: short stacking energy: -308.993
Base-Backbone interact. energy: -2.047
local terms energy: -318.735266
where:
bonds (distance) C4'-P energy: -56.707
bonds (distance) P-C4' energy: -52.733
flat angles C4'-P-C4' energy: -71.506
flat angles P-C4'-P energy: -49.048
tors. eta vs tors. theta energy: -88.741
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: 4
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -980.838567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.838567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.838567 (E_RNA)
where:
Base-Base interactions energy: -690.586
where: short stacking energy: -321.817
Base-Backbone interact. energy: -0.352
local terms energy: -289.900934
where:
bonds (distance) C4'-P energy: -52.597
bonds (distance) P-C4' energy: -45.216
flat angles C4'-P-C4' energy: -64.740
flat angles P-C4'-P energy: -42.632
tors. eta vs tors. theta energy: -84.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -933.070035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.070035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.070035 (E_RNA)
where:
Base-Base interactions energy: -649.009
where: short stacking energy: -264.979
Base-Backbone interact. energy: 2.823
local terms energy: -286.883873
where:
bonds (distance) C4'-P energy: -54.120
bonds (distance) P-C4' energy: -58.072
flat angles C4'-P-C4' energy: -63.933
flat angles P-C4'-P energy: -43.278
tors. eta vs tors. theta energy: -67.481
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: 3
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -815.426777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.426777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.426777 (E_RNA)
where:
Base-Base interactions energy: -544.090
where: short stacking energy: -236.663
Base-Backbone interact. energy: -1.181
local terms energy: -270.155652
where:
bonds (distance) C4'-P energy: -53.109
bonds (distance) P-C4' energy: -61.056
flat angles C4'-P-C4' energy: -64.895
flat angles P-C4'-P energy: -40.312
tors. eta vs tors. theta energy: -50.784
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: 6
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -709.817748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.817748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.817748 (E_RNA)
where:
Base-Base interactions energy: -464.455
where: short stacking energy: -198.172
Base-Backbone interact. energy: 3.687
local terms energy: -249.049666
where:
bonds (distance) C4'-P energy: -57.564
bonds (distance) P-C4' energy: -57.470
flat angles C4'-P-C4' energy: -61.517
flat angles P-C4'-P energy: -37.922
tors. eta vs tors. theta energy: -34.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -414.993744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.993744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.993744 (E_RNA)
where:
Base-Base interactions energy: -227.314
where: short stacking energy: -132.503
Base-Backbone interact. energy: -0.710
local terms energy: -186.970599
where:
bonds (distance) C4'-P energy: -57.944
bonds (distance) P-C4' energy: -52.298
flat angles C4'-P-C4' energy: -39.670
flat angles P-C4'-P energy: -23.723
tors. eta vs tors. theta energy: -13.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -316.471150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.471150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.471150 (E_RNA)
where:
Base-Base interactions energy: -127.826
where: short stacking energy: -111.313
Base-Backbone interact. energy: 0.241
local terms energy: -188.886563
where:
bonds (distance) C4'-P energy: -52.733
bonds (distance) P-C4' energy: -46.923
flat angles C4'-P-C4' energy: -53.032
flat angles P-C4'-P energy: -23.267
tors. eta vs tors. theta energy: -12.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -1154.695501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.695501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.695501 (E_RNA)
where:
Base-Base interactions energy: -789.959
where: short stacking energy: -367.074
Base-Backbone interact. energy: 0.520
local terms energy: -365.256485
where:
bonds (distance) C4'-P energy: -56.051
bonds (distance) P-C4' energy: -77.028
flat angles C4'-P-C4' energy: -70.313
flat angles P-C4'-P energy: -55.557
tors. eta vs tors. theta energy: -106.308
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: 8
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -1096.863771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.863771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.863771 (E_RNA)
where:
Base-Base interactions energy: -764.418
where: short stacking energy: -335.568
Base-Backbone interact. energy: -1.213
local terms energy: -331.233507
where:
bonds (distance) C4'-P energy: -56.526
bonds (distance) P-C4' energy: -66.019
flat angles C4'-P-C4' energy: -70.787
flat angles P-C4'-P energy: -49.493
tors. eta vs tors. theta energy: -88.409
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: 226
Temperature: 1.000000
Total energy: -1098.402103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.402103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.402103 (E_RNA)
where:
Base-Base interactions energy: -762.202
where: short stacking energy: -317.404
Base-Backbone interact. energy: -1.683
local terms energy: -334.517562
where:
bonds (distance) C4'-P energy: -63.030
bonds (distance) P-C4' energy: -63.028
flat angles C4'-P-C4' energy: -65.978
flat angles P-C4'-P energy: -50.501
tors. eta vs tors. theta energy: -91.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -1039.992895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.992895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.992895 (E_RNA)
where:
Base-Base interactions energy: -710.205
where: short stacking energy: -301.887
Base-Backbone interact. energy: -1.007
local terms energy: -328.781195
where:
bonds (distance) C4'-P energy: -54.428
bonds (distance) P-C4' energy: -66.145
flat angles C4'-P-C4' energy: -79.132
flat angles P-C4'-P energy: -44.395
tors. eta vs tors. theta energy: -84.682
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: 4
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -1012.564641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.564641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.564641 (E_RNA)
where:
Base-Base interactions energy: -675.304
where: short stacking energy: -293.614
Base-Backbone interact. energy: -0.237
local terms energy: -337.023411
where:
bonds (distance) C4'-P energy: -64.343
bonds (distance) P-C4' energy: -60.401
flat angles C4'-P-C4' energy: -74.337
flat angles P-C4'-P energy: -57.155
tors. eta vs tors. theta energy: -80.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -912.740068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.740068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.740068 (E_RNA)
where:
Base-Base interactions energy: -641.266
where: short stacking energy: -258.972
Base-Backbone interact. energy: -0.480
local terms energy: -270.993631
where:
bonds (distance) C4'-P energy: -57.623
bonds (distance) P-C4' energy: -50.332
flat angles C4'-P-C4' energy: -63.878
flat angles P-C4'-P energy: -38.561
tors. eta vs tors. theta energy: -60.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -815.275247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.275247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.275247 (E_RNA)
where:
Base-Base interactions energy: -543.510
where: short stacking energy: -247.572
Base-Backbone interact. energy: 0.418
local terms energy: -272.183501
where:
bonds (distance) C4'-P energy: -50.835
bonds (distance) P-C4' energy: -59.036
flat angles C4'-P-C4' energy: -48.815
flat angles P-C4'-P energy: -48.291
tors. eta vs tors. theta energy: -65.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -756.001531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.001531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.001531 (E_RNA)
where:
Base-Base interactions energy: -501.175
where: short stacking energy: -219.617
Base-Backbone interact. energy: -0.760
local terms energy: -254.066210
where:
bonds (distance) C4'-P energy: -56.999
bonds (distance) P-C4' energy: -67.106
flat angles C4'-P-C4' energy: -56.764
flat angles P-C4'-P energy: -29.299
tors. eta vs tors. theta energy: -43.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -435.692930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.692930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.692930 (E_RNA)
where:
Base-Base interactions energy: -219.078
where: short stacking energy: -122.814
Base-Backbone interact. energy: 0.711
local terms energy: -217.326633
where:
bonds (distance) C4'-P energy: -59.899
bonds (distance) P-C4' energy: -63.301
flat angles C4'-P-C4' energy: -50.623
flat angles P-C4'-P energy: -26.590
tors. eta vs tors. theta energy: -16.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -303.506219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.506219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.506219 (E_RNA)
where:
Base-Base interactions energy: -116.613
where: short stacking energy: -93.443
Base-Backbone interact. energy: -1.610
local terms energy: -185.283244
where:
bonds (distance) C4'-P energy: -59.294
bonds (distance) P-C4' energy: -63.204
flat angles C4'-P-C4' energy: -33.254
flat angles P-C4'-P energy: -30.653
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: 1, replica: 1
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -1169.801201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.801201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.801201 (E_RNA)
where:
Base-Base interactions energy: -803.336
where: short stacking energy: -347.812
Base-Backbone interact. energy: -1.033
local terms energy: -365.432963
where:
bonds (distance) C4'-P energy: -66.903
bonds (distance) P-C4' energy: -73.038
flat angles C4'-P-C4' energy: -71.220
flat angles P-C4'-P energy: -53.145
tors. eta vs tors. theta energy: -101.128
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: 8
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -1109.983038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.983038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.983038 (E_RNA)
where:
Base-Base interactions energy: -756.961
where: short stacking energy: -301.531
Base-Backbone interact. energy: -1.273
local terms energy: -351.749641
where:
bonds (distance) C4'-P energy: -73.239
bonds (distance) P-C4' energy: -69.030
flat angles C4'-P-C4' energy: -76.061
flat angles P-C4'-P energy: -45.765
tors. eta vs tors. theta energy: -87.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -1099.321865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.321865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.321865 (E_RNA)
where:
Base-Base interactions energy: -761.077
where: short stacking energy: -320.942
Base-Backbone interact. energy: -2.488
local terms energy: -335.756859
where:
bonds (distance) C4'-P energy: -66.665
bonds (distance) P-C4' energy: -62.842
flat angles C4'-P-C4' energy: -71.672
flat angles P-C4'-P energy: -38.349
tors. eta vs tors. theta energy: -96.229
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: 4
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -1006.600991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.600991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.600991 (E_RNA)
where:
Base-Base interactions energy: -696.496
where: short stacking energy: -303.068
Base-Backbone interact. energy: -2.148
local terms energy: -307.956967
where:
bonds (distance) C4'-P energy: -43.218
bonds (distance) P-C4' energy: -70.017
flat angles C4'-P-C4' energy: -66.496
flat angles P-C4'-P energy: -41.875
tors. eta vs tors. theta energy: -86.350
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: 2
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -1018.855675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.855675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.855675 (E_RNA)
where:
Base-Base interactions energy: -697.945
where: short stacking energy: -300.057
Base-Backbone interact. energy: -1.868
local terms energy: -319.043032
where:
bonds (distance) C4'-P energy: -47.942
bonds (distance) P-C4' energy: -69.571
flat angles C4'-P-C4' energy: -79.121
flat angles P-C4'-P energy: -39.785
tors. eta vs tors. theta energy: -82.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -883.058384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.058384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.058384 (E_RNA)
where:
Base-Base interactions energy: -602.765
where: short stacking energy: -260.252
Base-Backbone interact. energy: 0.064
local terms energy: -280.356839
where:
bonds (distance) C4'-P energy: -49.713
bonds (distance) P-C4' energy: -68.424
flat angles C4'-P-C4' energy: -58.166
flat angles P-C4'-P energy: -40.176
tors. eta vs tors. theta energy: -63.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -809.071031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.071031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.071031 (E_RNA)
where:
Base-Base interactions energy: -533.266
where: short stacking energy: -227.278
Base-Backbone interact. energy: -2.111
local terms energy: -273.693523
where:
bonds (distance) C4'-P energy: -50.349
bonds (distance) P-C4' energy: -53.848
flat angles C4'-P-C4' energy: -63.336
flat angles P-C4'-P energy: -45.395
tors. eta vs tors. theta energy: -60.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -766.478613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.478613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.478613 (E_RNA)
where:
Base-Base interactions energy: -508.683
where: short stacking energy: -245.413
Base-Backbone interact. energy: -1.119
local terms energy: -256.676511
where:
bonds (distance) C4'-P energy: -65.923
bonds (distance) P-C4' energy: -39.976
flat angles C4'-P-C4' energy: -53.383
flat angles P-C4'-P energy: -40.086
tors. eta vs tors. theta energy: -57.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -468.786751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.786751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.786751 (E_RNA)
where:
Base-Base interactions energy: -260.074
where: short stacking energy: -142.768
Base-Backbone interact. energy: -1.093
local terms energy: -207.619932
where:
bonds (distance) C4'-P energy: -57.327
bonds (distance) P-C4' energy: -52.887
flat angles C4'-P-C4' energy: -45.174
flat angles P-C4'-P energy: -34.340
tors. eta vs tors. theta energy: -17.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -278.171150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.171150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.171150 (E_RNA)
where:
Base-Base interactions energy: -108.496
where: short stacking energy: -76.536
Base-Backbone interact. energy: 1.033
local terms energy: -170.707867
where:
bonds (distance) C4'-P energy: -49.109
bonds (distance) P-C4' energy: -59.073
flat angles C4'-P-C4' energy: -43.505
flat angles P-C4'-P energy: -39.206
tors. eta vs tors. theta energy: 20.184
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: 1
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -1165.991504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.991504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.991504 (E_RNA)
where:
Base-Base interactions energy: -799.886
where: short stacking energy: -346.573
Base-Backbone interact. energy: -0.645
local terms energy: -365.459863
where:
bonds (distance) C4'-P energy: -60.013
bonds (distance) P-C4' energy: -70.977
flat angles C4'-P-C4' energy: -79.175
flat angles P-C4'-P energy: -53.976
tors. eta vs tors. theta energy: -101.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -1110.662581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.662581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.662581 (E_RNA)
where:
Base-Base interactions energy: -769.031
where: short stacking energy: -329.610
Base-Backbone interact. energy: -0.789
local terms energy: -340.842693
where:
bonds (distance) C4'-P energy: -57.203
bonds (distance) P-C4' energy: -69.380
flat angles C4'-P-C4' energy: -72.044
flat angles P-C4'-P energy: -57.243
tors. eta vs tors. theta energy: -84.973
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: 228
Temperature: 1.000000
Total energy: -1072.140418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.140418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.140418 (E_RNA)
where:
Base-Base interactions energy: -729.694
where: short stacking energy: -311.636
Base-Backbone interact. energy: -3.473
local terms energy: -338.973447
where:
bonds (distance) C4'-P energy: -62.650
bonds (distance) P-C4' energy: -67.852
flat angles C4'-P-C4' energy: -71.460
flat angles P-C4'-P energy: -45.336
tors. eta vs tors. theta energy: -91.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -1011.193967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.193967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.193967 (E_RNA)
where:
Base-Base interactions energy: -680.763
where: short stacking energy: -291.888
Base-Backbone interact. energy: -1.152
local terms energy: -329.278747
where:
bonds (distance) C4'-P energy: -61.428
bonds (distance) P-C4' energy: -69.456
flat angles C4'-P-C4' energy: -67.702
flat angles P-C4'-P energy: -44.323
tors. eta vs tors. theta energy: -86.369
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: 2
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -1015.503512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.503512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.503512 (E_RNA)
where:
Base-Base interactions energy: -691.667
where: short stacking energy: -294.592
Base-Backbone interact. energy: -0.794
local terms energy: -323.042906
where:
bonds (distance) C4'-P energy: -54.660
bonds (distance) P-C4' energy: -67.421
flat angles C4'-P-C4' energy: -77.219
flat angles P-C4'-P energy: -47.061
tors. eta vs tors. theta energy: -76.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -893.521860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.521860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.521860 (E_RNA)
where:
Base-Base interactions energy: -610.705
where: short stacking energy: -272.565
Base-Backbone interact. energy: 4.325
local terms energy: -287.141418
where:
bonds (distance) C4'-P energy: -50.589
bonds (distance) P-C4' energy: -57.624
flat angles C4'-P-C4' energy: -65.908
flat angles P-C4'-P energy: -43.092
tors. eta vs tors. theta energy: -69.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -796.353173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.353173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.353173 (E_RNA)
where:
Base-Base interactions energy: -528.150
where: short stacking energy: -226.304
Base-Backbone interact. energy: -0.966
local terms energy: -267.236889
where:
bonds (distance) C4'-P energy: -56.648
bonds (distance) P-C4' energy: -56.711
flat angles C4'-P-C4' energy: -63.589
flat angles P-C4'-P energy: -27.287
tors. eta vs tors. theta energy: -63.002
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: 6
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -744.445010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.445010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.445010 (E_RNA)
where:
Base-Base interactions energy: -492.838
where: short stacking energy: -236.877
Base-Backbone interact. energy: -1.776
local terms energy: -249.831460
where:
bonds (distance) C4'-P energy: -65.501
bonds (distance) P-C4' energy: -50.848
flat angles C4'-P-C4' energy: -56.335
flat angles P-C4'-P energy: -22.733
tors. eta vs tors. theta energy: -54.414
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: 5
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -430.284218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.284218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.284218 (E_RNA)
where:
Base-Base interactions energy: -237.757
where: short stacking energy: -125.991
Base-Backbone interact. energy: 7.504
local terms energy: -200.031442
where:
bonds (distance) C4'-P energy: -56.170
bonds (distance) P-C4' energy: -71.254
flat angles C4'-P-C4' energy: -37.995
flat angles P-C4'-P energy: -27.692
tors. eta vs tors. theta energy: -6.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -306.670925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.670925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.670925 (E_RNA)
where:
Base-Base interactions energy: -108.784
where: short stacking energy: -97.237
Base-Backbone interact. energy: -1.440
local terms energy: -196.446912
where:
bonds (distance) C4'-P energy: -50.981
bonds (distance) P-C4' energy: -58.157
flat angles C4'-P-C4' energy: -51.580
flat angles P-C4'-P energy: -21.930
tors. eta vs tors. theta energy: -13.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -1187.243618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.243618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.243618 (E_RNA)
where:
Base-Base interactions energy: -832.803
where: short stacking energy: -348.814
Base-Backbone interact. energy: -0.556
local terms energy: -353.885490
where:
bonds (distance) C4'-P energy: -69.163
bonds (distance) P-C4' energy: -57.838
flat angles C4'-P-C4' energy: -77.530
flat angles P-C4'-P energy: -48.459
tors. eta vs tors. theta energy: -100.897
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: 8
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -1092.673377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.673377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.673377 (E_RNA)
where:
Base-Base interactions energy: -764.253
where: short stacking energy: -318.736
Base-Backbone interact. energy: -1.403
local terms energy: -327.017851
where:
bonds (distance) C4'-P energy: -63.643
bonds (distance) P-C4' energy: -59.207
flat angles C4'-P-C4' energy: -68.777
flat angles P-C4'-P energy: -49.043
tors. eta vs tors. theta energy: -86.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -1071.953085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.953085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.953085 (E_RNA)
where:
Base-Base interactions energy: -735.286
where: short stacking energy: -300.772
Base-Backbone interact. energy: -3.426
local terms energy: -333.240934
where:
bonds (distance) C4'-P energy: -60.485
bonds (distance) P-C4' energy: -71.169
flat angles C4'-P-C4' energy: -69.108
flat angles P-C4'-P energy: -47.378
tors. eta vs tors. theta energy: -85.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -1021.771562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.771562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.771562 (E_RNA)
where:
Base-Base interactions energy: -701.586
where: short stacking energy: -305.977
Base-Backbone interact. energy: -0.191
local terms energy: -319.993859
where:
bonds (distance) C4'-P energy: -64.411
bonds (distance) P-C4' energy: -62.238
flat angles C4'-P-C4' energy: -67.994
flat angles P-C4'-P energy: -41.992
tors. eta vs tors. theta energy: -83.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -936.498391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.498391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.498391 (E_RNA)
where:
Base-Base interactions energy: -643.508
where: short stacking energy: -269.371
Base-Backbone interact. energy: -0.230
local terms energy: -292.760729
where:
bonds (distance) C4'-P energy: -60.875
bonds (distance) P-C4' energy: -50.196
flat angles C4'-P-C4' energy: -72.448
flat angles P-C4'-P energy: -43.966
tors. eta vs tors. theta energy: -65.276
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: 6, replica: 9
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -891.212054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.212054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.212054 (E_RNA)
where:
Base-Base interactions energy: -604.922
where: short stacking energy: -251.787
Base-Backbone interact. energy: -0.446
local terms energy: -285.844340
where:
bonds (distance) C4'-P energy: -50.366
bonds (distance) P-C4' energy: -56.822
flat angles C4'-P-C4' energy: -67.914
flat angles P-C4'-P energy: -42.857
tors. eta vs tors. theta energy: -67.885
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: 229
Temperature: 1.200000
Total energy: -830.010069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.010069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.010069 (E_RNA)
where:
Base-Base interactions energy: -565.015
where: short stacking energy: -258.024
Base-Backbone interact. energy: 0.196
local terms energy: -265.191242
where:
bonds (distance) C4'-P energy: -55.087
bonds (distance) P-C4' energy: -58.740
flat angles C4'-P-C4' energy: -58.642
flat angles P-C4'-P energy: -24.723
tors. eta vs tors. theta energy: -68.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -751.893888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.893888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.893888 (E_RNA)
where:
Base-Base interactions energy: -484.010
where: short stacking energy: -225.842
Base-Backbone interact. energy: 1.093
local terms energy: -268.976369
where:
bonds (distance) C4'-P energy: -60.362
bonds (distance) P-C4' energy: -56.446
flat angles C4'-P-C4' energy: -62.644
flat angles P-C4'-P energy: -37.771
tors. eta vs tors. theta energy: -51.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -450.584436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.584436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.584436 (E_RNA)
where:
Base-Base interactions energy: -247.869
where: short stacking energy: -138.754
Base-Backbone interact. energy: -0.625
local terms energy: -202.091385
where:
bonds (distance) C4'-P energy: -50.385
bonds (distance) P-C4' energy: -55.196
flat angles C4'-P-C4' energy: -57.375
flat angles P-C4'-P energy: -25.696
tors. eta vs tors. theta energy: -13.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -279.190355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.190355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.190355 (E_RNA)
where:
Base-Base interactions energy: -97.999
where: short stacking energy: -93.297
Base-Backbone interact. energy: -0.109
local terms energy: -181.082846
where:
bonds (distance) C4'-P energy: -51.659
bonds (distance) P-C4' energy: -50.611
flat angles C4'-P-C4' energy: -44.249
flat angles P-C4'-P energy: -31.298
tors. eta vs tors. theta energy: -3.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -1181.301488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.301488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.301488 (E_RNA)
where:
Base-Base interactions energy: -818.194
where: short stacking energy: -353.271
Base-Backbone interact. energy: -0.993
local terms energy: -362.114136
where:
bonds (distance) C4'-P energy: -69.881
bonds (distance) P-C4' energy: -67.707
flat angles C4'-P-C4' energy: -76.297
flat angles P-C4'-P energy: -48.153
tors. eta vs tors. theta energy: -100.077
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: 8
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -1098.094351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.094351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.094351 (E_RNA)
where:
Base-Base interactions energy: -747.903
where: short stacking energy: -318.497
Base-Backbone interact. energy: -1.169
local terms energy: -349.022467
where:
bonds (distance) C4'-P energy: -55.545
bonds (distance) P-C4' energy: -69.971
flat angles C4'-P-C4' energy: -78.484
flat angles P-C4'-P energy: -56.618
tors. eta vs tors. theta energy: -88.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -1058.009400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.009400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.009400 (E_RNA)
where:
Base-Base interactions energy: -734.374
where: short stacking energy: -338.154
Base-Backbone interact. energy: 1.385
local terms energy: -325.019937
where:
bonds (distance) C4'-P energy: -69.673
bonds (distance) P-C4' energy: -57.973
flat angles C4'-P-C4' energy: -62.850
flat angles P-C4'-P energy: -41.937
tors. eta vs tors. theta energy: -92.586
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: 10
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -1027.676969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.676969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.676969 (E_RNA)
where:
Base-Base interactions energy: -701.578
where: short stacking energy: -305.930
Base-Backbone interact. energy: -0.142
local terms energy: -325.957328
where:
bonds (distance) C4'-P energy: -60.529
bonds (distance) P-C4' energy: -58.520
flat angles C4'-P-C4' energy: -70.922
flat angles P-C4'-P energy: -51.249
tors. eta vs tors. theta energy: -84.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -968.082833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.082833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.082833 (E_RNA)
where:
Base-Base interactions energy: -669.731
where: short stacking energy: -283.719
Base-Backbone interact. energy: -1.081
local terms energy: -297.271206
where:
bonds (distance) C4'-P energy: -53.684
bonds (distance) P-C4' energy: -69.598
flat angles C4'-P-C4' energy: -61.427
flat angles P-C4'-P energy: -41.669
tors. eta vs tors. theta energy: -70.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -910.735081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.735081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.735081 (E_RNA)
where:
Base-Base interactions energy: -622.677
where: short stacking energy: -270.953
Base-Backbone interact. energy: -0.733
local terms energy: -287.325301
where:
bonds (distance) C4'-P energy: -53.643
bonds (distance) P-C4' energy: -66.108
flat angles C4'-P-C4' energy: -56.937
flat angles P-C4'-P energy: -42.547
tors. eta vs tors. theta energy: -68.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -808.159935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.159935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.159935 (E_RNA)
where:
Base-Base interactions energy: -526.096
where: short stacking energy: -237.157
Base-Backbone interact. energy: 0.668
local terms energy: -282.731600
where:
bonds (distance) C4'-P energy: -60.502
bonds (distance) P-C4' energy: -54.008
flat angles C4'-P-C4' energy: -62.802
flat angles P-C4'-P energy: -43.117
tors. eta vs tors. theta energy: -62.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -728.557397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.557397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.557397 (E_RNA)
where:
Base-Base interactions energy: -477.212
where: short stacking energy: -234.224
Base-Backbone interact. energy: -0.735
local terms energy: -250.609868
where:
bonds (distance) C4'-P energy: -53.403
bonds (distance) P-C4' energy: -58.651
flat angles C4'-P-C4' energy: -59.810
flat angles P-C4'-P energy: -37.579
tors. eta vs tors. theta energy: -41.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -483.452074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.452074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.452074 (E_RNA)
where:
Base-Base interactions energy: -290.365
where: short stacking energy: -144.894
Base-Backbone interact. energy: -2.453
local terms energy: -190.634007
where:
bonds (distance) C4'-P energy: -48.819
bonds (distance) P-C4' energy: -55.224
flat angles C4'-P-C4' energy: -46.530
flat angles P-C4'-P energy: -24.621
tors. eta vs tors. theta energy: -15.439
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: 7
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -273.192802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.192802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.192802 (E_RNA)
where:
Base-Base interactions energy: -97.969
where: short stacking energy: -78.533
Base-Backbone interact. energy: 1.905
local terms energy: -177.129109
where:
bonds (distance) C4'-P energy: -67.411
bonds (distance) P-C4' energy: -45.790
flat angles C4'-P-C4' energy: -43.532
flat angles P-C4'-P energy: -27.107
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: 1, replica: 1
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -1160.850382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.850382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.850382 (E_RNA)
where:
Base-Base interactions energy: -795.913
where: short stacking energy: -347.800
Base-Backbone interact. energy: -0.191
local terms energy: -364.746783
where:
bonds (distance) C4'-P energy: -64.937
bonds (distance) P-C4' energy: -71.849
flat angles C4'-P-C4' energy: -65.627
flat angles P-C4'-P energy: -57.107
tors. eta vs tors. theta energy: -105.226
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: 2, replica: 8
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -1106.163773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.163773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.163773 (E_RNA)
where:
Base-Base interactions energy: -783.740
where: short stacking energy: -316.776
Base-Backbone interact. energy: 3.590
local terms energy: -326.013332
where:
bonds (distance) C4'-P energy: -57.161
bonds (distance) P-C4' energy: -62.708
flat angles C4'-P-C4' energy: -72.076
flat angles P-C4'-P energy: -47.706
tors. eta vs tors. theta energy: -86.362
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: 3, replica: 4
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -1069.481182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.481182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.481182 (E_RNA)
where:
Base-Base interactions energy: -736.032
where: short stacking energy: -340.933
Base-Backbone interact. energy: -0.675
local terms energy: -332.774619
where:
bonds (distance) C4'-P energy: -56.684
bonds (distance) P-C4' energy: -63.254
flat angles C4'-P-C4' energy: -70.299
flat angles P-C4'-P energy: -49.022
tors. eta vs tors. theta energy: -93.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -1010.750080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.750080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.750080 (E_RNA)
where:
Base-Base interactions energy: -683.076
where: short stacking energy: -296.722
Base-Backbone interact. energy: -0.978
local terms energy: -326.696074
where:
bonds (distance) C4'-P energy: -67.512
bonds (distance) P-C4' energy: -55.751
flat angles C4'-P-C4' energy: -72.269
flat angles P-C4'-P energy: -50.081
tors. eta vs tors. theta energy: -81.083
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: 231
Temperature: 1.100000
Total energy: -1037.984129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.984129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.984129 (E_RNA)
where:
Base-Base interactions energy: -718.430
where: short stacking energy: -307.636
Base-Backbone interact. energy: -1.219
local terms energy: -318.334781
where:
bonds (distance) C4'-P energy: -52.010
bonds (distance) P-C4' energy: -65.868
flat angles C4'-P-C4' energy: -62.982
flat angles P-C4'-P energy: -46.461
tors. eta vs tors. theta energy: -91.013
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: 9
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -890.883570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.883570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.883570 (E_RNA)
where:
Base-Base interactions energy: -604.977
where: short stacking energy: -252.553
Base-Backbone interact. energy: -1.633
local terms energy: -284.273918
where:
bonds (distance) C4'-P energy: -60.059
bonds (distance) P-C4' energy: -57.157
flat angles C4'-P-C4' energy: -65.990
flat angles P-C4'-P energy: -36.322
tors. eta vs tors. theta energy: -64.746
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: 3
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -814.955379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.955379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.955379 (E_RNA)
where:
Base-Base interactions energy: -539.378
where: short stacking energy: -226.527
Base-Backbone interact. energy: -1.744
local terms energy: -273.833619
where:
bonds (distance) C4'-P energy: -66.963
bonds (distance) P-C4' energy: -56.274
flat angles C4'-P-C4' energy: -64.122
flat angles P-C4'-P energy: -38.615
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: 8, replica: 6
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -733.083017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.083017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.083017 (E_RNA)
where:
Base-Base interactions energy: -472.619
where: short stacking energy: -214.263
Base-Backbone interact. energy: 1.968
local terms energy: -262.431541
where:
bonds (distance) C4'-P energy: -59.622
bonds (distance) P-C4' energy: -61.553
flat angles C4'-P-C4' energy: -64.035
flat angles P-C4'-P energy: -36.940
tors. eta vs tors. theta energy: -40.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -456.817348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.817348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.817348 (E_RNA)
where:
Base-Base interactions energy: -257.382
where: short stacking energy: -144.307
Base-Backbone interact. energy: 0.119
local terms energy: -199.554191
where:
bonds (distance) C4'-P energy: -54.833
bonds (distance) P-C4' energy: -58.891
flat angles C4'-P-C4' energy: -51.832
flat angles P-C4'-P energy: -27.005
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: 7
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -302.951842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.951842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.951842 (E_RNA)
where:
Base-Base interactions energy: -119.835
where: short stacking energy: -88.661
Base-Backbone interact. energy: -2.432
local terms energy: -180.685166
where:
bonds (distance) C4'-P energy: -45.023
bonds (distance) P-C4' energy: -52.935
flat angles C4'-P-C4' energy: -46.735
flat angles P-C4'-P energy: -31.327
tors. eta vs tors. theta energy: -4.666
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: 1
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -1172.475206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.475206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.475206 (E_RNA)
where:
Base-Base interactions energy: -819.111
where: short stacking energy: -355.768
Base-Backbone interact. energy: 0.994
local terms energy: -354.358465
where:
bonds (distance) C4'-P energy: -54.729
bonds (distance) P-C4' energy: -72.610
flat angles C4'-P-C4' energy: -77.978
flat angles P-C4'-P energy: -48.183
tors. eta vs tors. theta energy: -100.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -1112.872662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.872662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.872662 (E_RNA)
where:
Base-Base interactions energy: -791.790
where: short stacking energy: -316.584
Base-Backbone interact. energy: 3.124
local terms energy: -324.206896
where:
bonds (distance) C4'-P energy: -53.677
bonds (distance) P-C4' energy: -54.329
flat angles C4'-P-C4' energy: -75.384
flat angles P-C4'-P energy: -48.276
tors. eta vs tors. theta energy: -92.541
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: 4
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -1044.959689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.959689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.959689 (E_RNA)
where:
Base-Base interactions energy: -698.401
where: short stacking energy: -325.983
Base-Backbone interact. energy: -0.453
local terms energy: -346.106234
where:
bonds (distance) C4'-P energy: -54.754
bonds (distance) P-C4' energy: -65.785
flat angles C4'-P-C4' energy: -72.325
flat angles P-C4'-P energy: -55.617
tors. eta vs tors. theta energy: -97.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -995.988046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.988046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.988046 (E_RNA)
where:
Base-Base interactions energy: -682.828
where: short stacking energy: -307.976
Base-Backbone interact. energy: -0.064
local terms energy: -313.096400
where:
bonds (distance) C4'-P energy: -56.149
bonds (distance) P-C4' energy: -56.429
flat angles C4'-P-C4' energy: -71.024
flat angles P-C4'-P energy: -50.561
tors. eta vs tors. theta energy: -78.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -1020.848931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.848931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.848931 (E_RNA)
where:
Base-Base interactions energy: -696.397
where: short stacking energy: -292.432
Base-Backbone interact. energy: -0.294
local terms energy: -324.158369
where:
bonds (distance) C4'-P energy: -62.258
bonds (distance) P-C4' energy: -65.851
flat angles C4'-P-C4' energy: -74.855
flat angles P-C4'-P energy: -40.848
tors. eta vs tors. theta energy: -80.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -890.255893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.255893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.255893 (E_RNA)
where:
Base-Base interactions energy: -610.156
where: short stacking energy: -252.248
Base-Backbone interact. energy: -1.216
local terms energy: -278.883164
where:
bonds (distance) C4'-P energy: -48.306
bonds (distance) P-C4' energy: -56.555
flat angles C4'-P-C4' energy: -62.200
flat angles P-C4'-P energy: -42.483
tors. eta vs tors. theta energy: -69.339
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: 7, replica: 3
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -801.513492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.513492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.513492 (E_RNA)
where:
Base-Base interactions energy: -529.442
where: short stacking energy: -214.935
Base-Backbone interact. energy: -2.410
local terms energy: -269.661051
where:
bonds (distance) C4'-P energy: -57.340
bonds (distance) P-C4' energy: -64.374
flat angles C4'-P-C4' energy: -52.408
flat angles P-C4'-P energy: -39.920
tors. eta vs tors. theta energy: -55.618
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: 6
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -724.679196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.679196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.679196 (E_RNA)
where:
Base-Base interactions energy: -464.982
where: short stacking energy: -213.583
Base-Backbone interact. energy: -0.574
local terms energy: -259.122989
where:
bonds (distance) C4'-P energy: -57.904
bonds (distance) P-C4' energy: -61.809
flat angles C4'-P-C4' energy: -64.295
flat angles P-C4'-P energy: -29.613
tors. eta vs tors. theta energy: -45.502
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: 5
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -478.621220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.621220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.621220 (E_RNA)
where:
Base-Base interactions energy: -263.127
where: short stacking energy: -142.556
Base-Backbone interact. energy: -1.600
local terms energy: -213.893698
where:
bonds (distance) C4'-P energy: -49.897
bonds (distance) P-C4' energy: -46.970
flat angles C4'-P-C4' energy: -61.264
flat angles P-C4'-P energy: -41.470
tors. eta vs tors. theta energy: -14.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -280.413962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.413962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.413962 (E_RNA)
where:
Base-Base interactions energy: -96.771
where: short stacking energy: -90.181
Base-Backbone interact. energy: -1.037
local terms energy: -182.606485
where:
bonds (distance) C4'-P energy: -51.612
bonds (distance) P-C4' energy: -57.694
flat angles C4'-P-C4' energy: -48.935
flat angles P-C4'-P energy: -31.220
tors. eta vs tors. theta energy: 6.854
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: 1
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -1158.158937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.158937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.158937 (E_RNA)
where:
Base-Base interactions energy: -805.018
where: short stacking energy: -344.936
Base-Backbone interact. energy: -0.684
local terms energy: -352.456448
where:
bonds (distance) C4'-P energy: -62.631
bonds (distance) P-C4' energy: -65.913
flat angles C4'-P-C4' energy: -77.323
flat angles P-C4'-P energy: -48.985
tors. eta vs tors. theta energy: -97.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -1125.953135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.953135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.953135 (E_RNA)
where:
Base-Base interactions energy: -780.135
where: short stacking energy: -332.432
Base-Backbone interact. energy: 3.293
local terms energy: -349.111936
where:
bonds (distance) C4'-P energy: -61.703
bonds (distance) P-C4' energy: -70.368
flat angles C4'-P-C4' energy: -73.326
flat angles P-C4'-P energy: -47.391
tors. eta vs tors. theta energy: -96.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -1052.954116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.954116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.954116 (E_RNA)
where:
Base-Base interactions energy: -711.953
where: short stacking energy: -330.822
Base-Backbone interact. energy: -0.897
local terms energy: -340.103629
where:
bonds (distance) C4'-P energy: -57.402
bonds (distance) P-C4' energy: -58.978
flat angles C4'-P-C4' energy: -68.520
flat angles P-C4'-P energy: -55.566
tors. eta vs tors. theta energy: -99.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -992.440609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.440609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.440609 (E_RNA)
where:
Base-Base interactions energy: -677.079
where: short stacking energy: -309.845
Base-Backbone interact. energy: -0.833
local terms energy: -314.528851
where:
bonds (distance) C4'-P energy: -65.894
bonds (distance) P-C4' energy: -60.053
flat angles C4'-P-C4' energy: -59.981
flat angles P-C4'-P energy: -45.413
tors. eta vs tors. theta energy: -83.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -1012.496746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.496746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.496746 (E_RNA)
where:
Base-Base interactions energy: -708.360
where: short stacking energy: -283.551
Base-Backbone interact. energy: -1.420
local terms energy: -302.716445
where:
bonds (distance) C4'-P energy: -53.022
bonds (distance) P-C4' energy: -59.769
flat angles C4'-P-C4' energy: -67.878
flat angles P-C4'-P energy: -44.024
tors. eta vs tors. theta energy: -78.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -893.074327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.074327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.074327 (E_RNA)
where:
Base-Base interactions energy: -608.414
where: short stacking energy: -265.670
Base-Backbone interact. energy: -1.870
local terms energy: -282.789786
where:
bonds (distance) C4'-P energy: -50.067
bonds (distance) P-C4' energy: -64.457
flat angles C4'-P-C4' energy: -63.976
flat angles P-C4'-P energy: -34.330
tors. eta vs tors. theta energy: -69.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -829.955571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.955571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.955571 (E_RNA)
where:
Base-Base interactions energy: -552.733
where: short stacking energy: -253.021
Base-Backbone interact. energy: -1.376
local terms energy: -275.846811
where:
bonds (distance) C4'-P energy: -57.658
bonds (distance) P-C4' energy: -59.864
flat angles C4'-P-C4' energy: -56.126
flat angles P-C4'-P energy: -42.765
tors. eta vs tors. theta energy: -59.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -663.044873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.044873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.044873 (E_RNA)
where:
Base-Base interactions energy: -399.371
where: short stacking energy: -197.260
Base-Backbone interact. energy: 0.545
local terms energy: -264.219224
where:
bonds (distance) C4'-P energy: -64.952
bonds (distance) P-C4' energy: -66.812
flat angles C4'-P-C4' energy: -48.676
flat angles P-C4'-P energy: -36.922
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: 9, replica: 5
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -472.532114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.532114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.532114 (E_RNA)
where:
Base-Base interactions energy: -249.763
where: short stacking energy: -150.869
Base-Backbone interact. energy: -0.851
local terms energy: -221.917964
where:
bonds (distance) C4'-P energy: -56.366
bonds (distance) P-C4' energy: -49.621
flat angles C4'-P-C4' energy: -67.113
flat angles P-C4'-P energy: -28.779
tors. eta vs tors. theta energy: -20.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -279.751354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.751354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.751354 (E_RNA)
where:
Base-Base interactions energy: -92.690
where: short stacking energy: -80.417
Base-Backbone interact. energy: 4.271
local terms energy: -191.332531
where:
bonds (distance) C4'-P energy: -42.807
bonds (distance) P-C4' energy: -57.747
flat angles C4'-P-C4' energy: -49.625
flat angles P-C4'-P energy: -50.888
tors. eta vs tors. theta energy: 9.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -1135.066471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.066471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.066471 (E_RNA)
where:
Base-Base interactions energy: -790.619
where: short stacking energy: -325.978
Base-Backbone interact. energy: 4.517
local terms energy: -348.964312
where:
bonds (distance) C4'-P energy: -62.060
bonds (distance) P-C4' energy: -69.490
flat angles C4'-P-C4' energy: -67.682
flat angles P-C4'-P energy: -55.726
tors. eta vs tors. theta energy: -94.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -1149.930579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.930579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.930579 (E_RNA)
where:
Base-Base interactions energy: -798.778
where: short stacking energy: -343.201
Base-Backbone interact. energy: -1.701
local terms energy: -349.451370
where:
bonds (distance) C4'-P energy: -56.394
bonds (distance) P-C4' energy: -72.345
flat angles C4'-P-C4' energy: -71.107
flat angles P-C4'-P energy: -49.326
tors. eta vs tors. theta energy: -100.279
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: 4
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -1065.041506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.041506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.041506 (E_RNA)
where:
Base-Base interactions energy: -715.848
where: short stacking energy: -344.305
Base-Backbone interact. energy: -0.396
local terms energy: -348.797544
where:
bonds (distance) C4'-P energy: -56.244
bonds (distance) P-C4' energy: -72.044
flat angles C4'-P-C4' energy: -75.272
flat angles P-C4'-P energy: -44.541
tors. eta vs tors. theta energy: -100.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -995.242670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.242670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.242670 (E_RNA)
where:
Base-Base interactions energy: -679.634
where: short stacking energy: -306.868
Base-Backbone interact. energy: -1.400
local terms energy: -314.207954
where:
bonds (distance) C4'-P energy: -58.548
bonds (distance) P-C4' energy: -65.847
flat angles C4'-P-C4' energy: -72.359
flat angles P-C4'-P energy: -36.910
tors. eta vs tors. theta energy: -80.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -1012.720200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.720200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.720200 (E_RNA)
where:
Base-Base interactions energy: -707.560
where: short stacking energy: -290.769
Base-Backbone interact. energy: -1.371
local terms energy: -303.788977
where:
bonds (distance) C4'-P energy: -55.812
bonds (distance) P-C4' energy: -64.639
flat angles C4'-P-C4' energy: -61.249
flat angles P-C4'-P energy: -39.956
tors. eta vs tors. theta energy: -82.134
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: 9
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -894.808607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.808607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.808607 (E_RNA)
where:
Base-Base interactions energy: -612.562
where: short stacking energy: -249.418
Base-Backbone interact. energy: -3.407
local terms energy: -278.839334
where:
bonds (distance) C4'-P energy: -54.654
bonds (distance) P-C4' energy: -60.846
flat angles C4'-P-C4' energy: -60.071
flat angles P-C4'-P energy: -43.241
tors. eta vs tors. theta energy: -60.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -826.272543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.272543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.272543 (E_RNA)
where:
Base-Base interactions energy: -552.437
where: short stacking energy: -225.964
Base-Backbone interact. energy: -1.450
local terms energy: -272.385789
where:
bonds (distance) C4'-P energy: -63.143
bonds (distance) P-C4' energy: -58.850
flat angles C4'-P-C4' energy: -58.481
flat angles P-C4'-P energy: -37.488
tors. eta vs tors. theta energy: -54.424
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: 8, replica: 6
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -658.517829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.517829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.517829 (E_RNA)
where:
Base-Base interactions energy: -430.354
where: short stacking energy: -195.504
Base-Backbone interact. energy: -1.383
local terms energy: -226.780499
where:
bonds (distance) C4'-P energy: -44.564
bonds (distance) P-C4' energy: -57.942
flat angles C4'-P-C4' energy: -56.854
flat angles P-C4'-P energy: -35.871
tors. eta vs tors. theta energy: -31.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -453.503367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.503367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.503367 (E_RNA)
where:
Base-Base interactions energy: -248.420
where: short stacking energy: -138.777
Base-Backbone interact. energy: -0.902
local terms energy: -204.182244
where:
bonds (distance) C4'-P energy: -54.698
bonds (distance) P-C4' energy: -54.861
flat angles C4'-P-C4' energy: -48.962
flat angles P-C4'-P energy: -23.038
tors. eta vs tors. theta energy: -22.622
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: 10, replica: 7
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -265.396967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.396967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.396967 (E_RNA)
where:
Base-Base interactions energy: -101.420
where: short stacking energy: -73.731
Base-Backbone interact. energy: -0.513
local terms energy: -163.463585
where:
bonds (distance) C4'-P energy: -50.321
bonds (distance) P-C4' energy: -64.101
flat angles C4'-P-C4' energy: -41.191
flat angles P-C4'-P energy: -32.316
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: 1, replica: 8
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -1129.219386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.219386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.219386 (E_RNA)
where:
Base-Base interactions energy: -787.409
where: short stacking energy: -345.298
Base-Backbone interact. energy: 5.505
local terms energy: -347.315254
where:
bonds (distance) C4'-P energy: -60.753
bonds (distance) P-C4' energy: -72.969
flat angles C4'-P-C4' energy: -69.589
flat angles P-C4'-P energy: -53.490
tors. eta vs tors. theta energy: -90.514
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: 1
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -1154.674848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.674848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.674848 (E_RNA)
where:
Base-Base interactions energy: -808.567
where: short stacking energy: -349.274
Base-Backbone interact. energy: -0.224
local terms energy: -345.883334
where:
bonds (distance) C4'-P energy: -54.782
bonds (distance) P-C4' energy: -73.860
flat angles C4'-P-C4' energy: -68.728
flat angles P-C4'-P energy: -50.233
tors. eta vs tors. theta energy: -98.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -1083.106732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.106732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.106732 (E_RNA)
where:
Base-Base interactions energy: -726.277
where: short stacking energy: -337.206
Base-Backbone interact. energy: -0.683
local terms energy: -356.146726
where:
bonds (distance) C4'-P energy: -47.856
bonds (distance) P-C4' energy: -68.774
flat angles C4'-P-C4' energy: -77.474
flat angles P-C4'-P energy: -58.225
tors. eta vs tors. theta energy: -103.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -1042.658261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.658261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.658261 (E_RNA)
where:
Base-Base interactions energy: -716.415
where: short stacking energy: -292.203
Base-Backbone interact. energy: -0.348
local terms energy: -325.895816
where:
bonds (distance) C4'-P energy: -70.756
bonds (distance) P-C4' energy: -57.022
flat angles C4'-P-C4' energy: -69.461
flat angles P-C4'-P energy: -52.361
tors. eta vs tors. theta energy: -76.297
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: 2
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -986.043287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.043287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.043287 (E_RNA)
where:
Base-Base interactions energy: -673.498
where: short stacking energy: -288.254
Base-Backbone interact. energy: -0.788
local terms energy: -311.757653
where:
bonds (distance) C4'-P energy: -51.936
bonds (distance) P-C4' energy: -67.940
flat angles C4'-P-C4' energy: -67.333
flat angles P-C4'-P energy: -46.738
tors. eta vs tors. theta energy: -77.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -853.490782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.490782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.490782 (E_RNA)
where:
Base-Base interactions energy: -569.480
where: short stacking energy: -242.138
Base-Backbone interact. energy: -2.681
local terms energy: -281.330316
where:
bonds (distance) C4'-P energy: -51.216
bonds (distance) P-C4' energy: -57.950
flat angles C4'-P-C4' energy: -59.043
flat angles P-C4'-P energy: -46.060
tors. eta vs tors. theta energy: -67.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -788.641200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.641200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.641200 (E_RNA)
where:
Base-Base interactions energy: -531.508
where: short stacking energy: -216.611
Base-Backbone interact. energy: -2.520
local terms energy: -254.612429
where:
bonds (distance) C4'-P energy: -56.971
bonds (distance) P-C4' energy: -55.103
flat angles C4'-P-C4' energy: -57.551
flat angles P-C4'-P energy: -38.811
tors. eta vs tors. theta energy: -46.177
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: 6
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -671.999415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.999415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.999415 (E_RNA)
where:
Base-Base interactions energy: -421.096
where: short stacking energy: -201.224
Base-Backbone interact. energy: 0.485
local terms energy: -251.387983
where:
bonds (distance) C4'-P energy: -60.485
bonds (distance) P-C4' energy: -59.212
flat angles C4'-P-C4' energy: -60.994
flat angles P-C4'-P energy: -34.971
tors. eta vs tors. theta energy: -35.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -482.853399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.853399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.853399 (E_RNA)
where:
Base-Base interactions energy: -264.015
where: short stacking energy: -132.094
Base-Backbone interact. energy: -2.544
local terms energy: -216.294828
where:
bonds (distance) C4'-P energy: -43.839
bonds (distance) P-C4' energy: -67.229
flat angles C4'-P-C4' energy: -50.398
flat angles P-C4'-P energy: -40.610
tors. eta vs tors. theta energy: -14.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -293.053795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.053795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.053795 (E_RNA)
where:
Base-Base interactions energy: -121.589
where: short stacking energy: -101.903
Base-Backbone interact. energy: -0.209
local terms energy: -171.255978
where:
bonds (distance) C4'-P energy: -51.157
bonds (distance) P-C4' energy: -47.565
flat angles C4'-P-C4' energy: -53.512
flat angles P-C4'-P energy: -16.291
tors. eta vs tors. theta energy: -2.731
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: 1
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -1166.200972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.200972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.200972 (E_RNA)
where:
Base-Base interactions energy: -808.718
where: short stacking energy: -353.788
Base-Backbone interact. energy: -1.182
local terms energy: -356.300907
where:
bonds (distance) C4'-P energy: -56.943
bonds (distance) P-C4' energy: -67.477
flat angles C4'-P-C4' energy: -74.235
flat angles P-C4'-P energy: -58.687
tors. eta vs tors. theta energy: -98.959
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: 8
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -1126.068865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.068865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.068865 (E_RNA)
where:
Base-Base interactions energy: -787.230
where: short stacking energy: -348.631
Base-Backbone interact. energy: 4.008
local terms energy: -342.846360
where:
bonds (distance) C4'-P energy: -69.882
bonds (distance) P-C4' energy: -64.092
flat angles C4'-P-C4' energy: -70.473
flat angles P-C4'-P energy: -47.214
tors. eta vs tors. theta energy: -91.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -1067.995559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.995559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.995559 (E_RNA)
where:
Base-Base interactions energy: -728.449
where: short stacking energy: -332.806
Base-Backbone interact. energy: 2.717
local terms energy: -342.263531
where:
bonds (distance) C4'-P energy: -67.910
bonds (distance) P-C4' energy: -54.675
flat angles C4'-P-C4' energy: -74.522
flat angles P-C4'-P energy: -50.245
tors. eta vs tors. theta energy: -94.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -1039.021865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.021865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.021865 (E_RNA)
where:
Base-Base interactions energy: -716.165
where: short stacking energy: -319.068
Base-Backbone interact. energy: -0.490
local terms energy: -322.366357
where:
bonds (distance) C4'-P energy: -65.023
bonds (distance) P-C4' energy: -59.796
flat angles C4'-P-C4' energy: -65.980
flat angles P-C4'-P energy: -46.383
tors. eta vs tors. theta energy: -85.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -977.795406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.795406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.795406 (E_RNA)
where:
Base-Base interactions energy: -683.419
where: short stacking energy: -298.136
Base-Backbone interact. energy: -2.107
local terms energy: -292.269431
where:
bonds (distance) C4'-P energy: -56.858
bonds (distance) P-C4' energy: -49.287
flat angles C4'-P-C4' energy: -60.062
flat angles P-C4'-P energy: -43.359
tors. eta vs tors. theta energy: -82.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -865.963040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.963040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.963040 (E_RNA)
where:
Base-Base interactions energy: -576.237
where: short stacking energy: -266.917
Base-Backbone interact. energy: -1.379
local terms energy: -288.347522
where:
bonds (distance) C4'-P energy: -62.380
bonds (distance) P-C4' energy: -56.827
flat angles C4'-P-C4' energy: -63.248
flat angles P-C4'-P energy: -41.817
tors. eta vs tors. theta energy: -64.076
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: 7, replica: 3
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -791.210783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.210783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.210783 (E_RNA)
where:
Base-Base interactions energy: -528.836
where: short stacking energy: -232.610
Base-Backbone interact. energy: 2.188
local terms energy: -264.563107
where:
bonds (distance) C4'-P energy: -56.203
bonds (distance) P-C4' energy: -55.583
flat angles C4'-P-C4' energy: -61.225
flat angles P-C4'-P energy: -40.627
tors. eta vs tors. theta energy: -50.925
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: 6
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -729.357902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.357902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.357902 (E_RNA)
where:
Base-Base interactions energy: -462.475
where: short stacking energy: -217.623
Base-Backbone interact. energy: -0.757
local terms energy: -266.125882
where:
bonds (distance) C4'-P energy: -54.644
bonds (distance) P-C4' energy: -59.885
flat angles C4'-P-C4' energy: -61.648
flat angles P-C4'-P energy: -38.250
tors. eta vs tors. theta energy: -51.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -438.991058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.991058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.991058 (E_RNA)
where:
Base-Base interactions energy: -243.474
where: short stacking energy: -135.078
Base-Backbone interact. energy: 5.105
local terms energy: -200.622134
where:
bonds (distance) C4'-P energy: -50.384
bonds (distance) P-C4' energy: -64.387
flat angles C4'-P-C4' energy: -51.173
flat angles P-C4'-P energy: -26.811
tors. eta vs tors. theta energy: -7.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -294.530553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.530553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.530553 (E_RNA)
where:
Base-Base interactions energy: -127.324
where: short stacking energy: -84.822
Base-Backbone interact. energy: -0.005
local terms energy: -167.201465
where:
bonds (distance) C4'-P energy: -47.308
bonds (distance) P-C4' energy: -61.768
flat angles C4'-P-C4' energy: -37.306
flat angles P-C4'-P energy: -36.620
tors. eta vs tors. theta energy: 15.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -1169.633231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.633231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.633231 (E_RNA)
where:
Base-Base interactions energy: -828.561
where: short stacking energy: -358.940
Base-Backbone interact. energy: -1.957
local terms energy: -339.115052
where:
bonds (distance) C4'-P energy: -60.570
bonds (distance) P-C4' energy: -65.249
flat angles C4'-P-C4' energy: -73.699
flat angles P-C4'-P energy: -41.626
tors. eta vs tors. theta energy: -97.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -1089.258232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.258232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.258232 (E_RNA)
where:
Base-Base interactions energy: -741.819
where: short stacking energy: -333.925
Base-Backbone interact. energy: -2.220
local terms energy: -345.219060
where:
bonds (distance) C4'-P energy: -58.430
bonds (distance) P-C4' energy: -65.309
flat angles C4'-P-C4' energy: -73.251
flat angles P-C4'-P energy: -42.094
tors. eta vs tors. theta energy: -106.135
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: 8
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -1061.783078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.783078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.783078 (E_RNA)
where:
Base-Base interactions energy: -740.167
where: short stacking energy: -297.691
Base-Backbone interact. energy: 6.731
local terms energy: -328.346614
where:
bonds (distance) C4'-P energy: -58.062
bonds (distance) P-C4' energy: -68.490
flat angles C4'-P-C4' energy: -70.664
flat angles P-C4'-P energy: -52.156
tors. eta vs tors. theta energy: -78.975
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: 237
Temperature: 1.050000
Total energy: -1044.850726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.850726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.850726 (E_RNA)
where:
Base-Base interactions energy: -717.774
where: short stacking energy: -308.536
Base-Backbone interact. energy: -0.639
local terms energy: -326.437440
where:
bonds (distance) C4'-P energy: -59.089
bonds (distance) P-C4' energy: -63.927
flat angles C4'-P-C4' energy: -62.849
flat angles P-C4'-P energy: -49.122
tors. eta vs tors. theta energy: -91.450
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: 5, replica: 2
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -960.004874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.004874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.004874 (E_RNA)
where:
Base-Base interactions energy: -632.985
where: short stacking energy: -304.936
Base-Backbone interact. energy: -2.401
local terms energy: -324.619453
where:
bonds (distance) C4'-P energy: -52.453
bonds (distance) P-C4' energy: -67.003
flat angles C4'-P-C4' energy: -69.261
flat angles P-C4'-P energy: -52.707
tors. eta vs tors. theta energy: -83.195
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: 9
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -884.090423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.090423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.090423 (E_RNA)
where:
Base-Base interactions energy: -590.844
where: short stacking energy: -259.894
Base-Backbone interact. energy: -1.015
local terms energy: -292.231476
where:
bonds (distance) C4'-P energy: -55.992
bonds (distance) P-C4' energy: -57.759
flat angles C4'-P-C4' energy: -64.612
flat angles P-C4'-P energy: -42.504
tors. eta vs tors. theta energy: -71.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -808.731027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.731027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.731027 (E_RNA)
where:
Base-Base interactions energy: -534.058
where: short stacking energy: -241.456
Base-Backbone interact. energy: -1.169
local terms energy: -273.504610
where:
bonds (distance) C4'-P energy: -55.321
bonds (distance) P-C4' energy: -55.967
flat angles C4'-P-C4' energy: -60.587
flat angles P-C4'-P energy: -46.240
tors. eta vs tors. theta energy: -55.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -699.557227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.557227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.557227 (E_RNA)
where:
Base-Base interactions energy: -448.876
where: short stacking energy: -209.734
Base-Backbone interact. energy: -1.020
local terms energy: -249.660852
where:
bonds (distance) C4'-P energy: -55.897
bonds (distance) P-C4' energy: -61.192
flat angles C4'-P-C4' energy: -68.498
flat angles P-C4'-P energy: -22.358
tors. eta vs tors. theta energy: -41.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -433.957748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.957748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.957748 (E_RNA)
where:
Base-Base interactions energy: -221.508
where: short stacking energy: -127.593
Base-Backbone interact. energy: 2.946
local terms energy: -215.395531
where:
bonds (distance) C4'-P energy: -54.250
bonds (distance) P-C4' energy: -63.780
flat angles C4'-P-C4' energy: -54.173
flat angles P-C4'-P energy: -31.337
tors. eta vs tors. theta energy: -11.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -290.045272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.045272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.045272 (E_RNA)
where:
Base-Base interactions energy: -128.076
where: short stacking energy: -99.219
Base-Backbone interact. energy: 3.066
local terms energy: -165.035715
where:
bonds (distance) C4'-P energy: -46.818
bonds (distance) P-C4' energy: -51.838
flat angles C4'-P-C4' energy: -34.125
flat angles P-C4'-P energy: -32.215
tors. eta vs tors. theta energy: -0.040
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: 1
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -1183.730944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.730944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.730944 (E_RNA)
where:
Base-Base interactions energy: -822.079
where: short stacking energy: -357.473
Base-Backbone interact. energy: -0.205
local terms energy: -361.446439
where:
bonds (distance) C4'-P energy: -71.808
bonds (distance) P-C4' energy: -60.608
flat angles C4'-P-C4' energy: -72.716
flat angles P-C4'-P energy: -58.735
tors. eta vs tors. theta energy: -97.580
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: 4
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -1094.786582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.786582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.786582 (E_RNA)
where:
Base-Base interactions energy: -746.388
where: short stacking energy: -331.521
Base-Backbone interact. energy: 2.840
local terms energy: -351.239553
where:
bonds (distance) C4'-P energy: -57.680
bonds (distance) P-C4' energy: -67.349
flat angles C4'-P-C4' energy: -73.944
flat angles P-C4'-P energy: -49.589
tors. eta vs tors. theta energy: -102.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -1066.440187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.440187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.440187 (E_RNA)
where:
Base-Base interactions energy: -733.026
where: short stacking energy: -320.561
Base-Backbone interact. energy: -0.673
local terms energy: -332.741068
where:
bonds (distance) C4'-P energy: -60.999
bonds (distance) P-C4' energy: -57.372
flat angles C4'-P-C4' energy: -71.677
flat angles P-C4'-P energy: -47.772
tors. eta vs tors. theta energy: -94.921
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: 4, replica: 8
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -1055.933806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.933806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.933806 (E_RNA)
where:
Base-Base interactions energy: -737.950
where: short stacking energy: -313.454
Base-Backbone interact. energy: 5.382
local terms energy: -323.365012
where:
bonds (distance) C4'-P energy: -58.163
bonds (distance) P-C4' energy: -74.960
flat angles C4'-P-C4' energy: -61.902
flat angles P-C4'-P energy: -44.113
tors. eta vs tors. theta energy: -84.227
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: 9
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -944.152993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.152993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.152993 (E_RNA)
where:
Base-Base interactions energy: -630.652
where: short stacking energy: -273.556
Base-Backbone interact. energy: -1.733
local terms energy: -311.768652
where:
bonds (distance) C4'-P energy: -55.604
bonds (distance) P-C4' energy: -71.133
flat angles C4'-P-C4' energy: -74.167
flat angles P-C4'-P energy: -36.218
tors. eta vs tors. theta energy: -74.647
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: 2
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -938.747056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.747056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.747056 (E_RNA)
where:
Base-Base interactions energy: -649.143
where: short stacking energy: -291.596
Base-Backbone interact. energy: -0.796
local terms energy: -288.807898
where:
bonds (distance) C4'-P energy: -60.482
bonds (distance) P-C4' energy: -53.368
flat angles C4'-P-C4' energy: -64.603
flat angles P-C4'-P energy: -32.230
tors. eta vs tors. theta energy: -78.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -833.116781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.116781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.116781 (E_RNA)
where:
Base-Base interactions energy: -553.660
where: short stacking energy: -237.114
Base-Backbone interact. energy: -1.301
local terms energy: -278.154921
where:
bonds (distance) C4'-P energy: -51.799
bonds (distance) P-C4' energy: -62.039
flat angles C4'-P-C4' energy: -60.652
flat angles P-C4'-P energy: -39.076
tors. eta vs tors. theta energy: -64.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -684.260563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.260563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.260563 (E_RNA)
where:
Base-Base interactions energy: -424.710
where: short stacking energy: -202.366
Base-Backbone interact. energy: -0.427
local terms energy: -259.124411
where:
bonds (distance) C4'-P energy: -61.495
bonds (distance) P-C4' energy: -56.823
flat angles C4'-P-C4' energy: -58.101
flat angles P-C4'-P energy: -36.544
tors. eta vs tors. theta energy: -46.161
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: 5
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -439.508165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.508165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.508165 (E_RNA)
where:
Base-Base interactions energy: -214.152
where: short stacking energy: -122.750
Base-Backbone interact. energy: 1.635
local terms energy: -226.991180
where:
bonds (distance) C4'-P energy: -61.683
bonds (distance) P-C4' energy: -62.986
flat angles C4'-P-C4' energy: -53.717
flat angles P-C4'-P energy: -37.551
tors. eta vs tors. theta energy: -11.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -290.126894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.126894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.126894 (E_RNA)
where:
Base-Base interactions energy: -111.009
where: short stacking energy: -89.473
Base-Backbone interact. energy: 3.199
local terms energy: -182.316478
where:
bonds (distance) C4'-P energy: -56.266
bonds (distance) P-C4' energy: -61.954
flat angles C4'-P-C4' energy: -45.934
flat angles P-C4'-P energy: -27.653
tors. eta vs tors. theta energy: 9.491
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: 1
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -1186.421928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.421928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.421928 (E_RNA)
where:
Base-Base interactions energy: -812.026
where: short stacking energy: -360.513
Base-Backbone interact. energy: -1.788
local terms energy: -372.608402
where:
bonds (distance) C4'-P energy: -70.333
bonds (distance) P-C4' energy: -65.591
flat angles C4'-P-C4' energy: -75.475
flat angles P-C4'-P energy: -60.790
tors. eta vs tors. theta energy: -100.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -1090.999536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.999536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.999536 (E_RNA)
where:
Base-Base interactions energy: -722.963
where: short stacking energy: -338.734
Base-Backbone interact. energy: 0.511
local terms energy: -368.547286
where:
bonds (distance) C4'-P energy: -61.722
bonds (distance) P-C4' energy: -72.501
flat angles C4'-P-C4' energy: -70.990
flat angles P-C4'-P energy: -49.091
tors. eta vs tors. theta energy: -114.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -1063.445286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.445286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.445286 (E_RNA)
where:
Base-Base interactions energy: -729.717
where: short stacking energy: -311.360
Base-Backbone interact. energy: -1.170
local terms energy: -332.558310
where:
bonds (distance) C4'-P energy: -62.585
bonds (distance) P-C4' energy: -68.325
flat angles C4'-P-C4' energy: -69.576
flat angles P-C4'-P energy: -47.097
tors. eta vs tors. theta energy: -84.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -1062.013421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.013421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.013421 (E_RNA)
where:
Base-Base interactions energy: -739.328
where: short stacking energy: -295.911
Base-Backbone interact. energy: 1.707
local terms energy: -324.392471
where:
bonds (distance) C4'-P energy: -57.223
bonds (distance) P-C4' energy: -63.766
flat angles C4'-P-C4' energy: -72.705
flat angles P-C4'-P energy: -52.857
tors. eta vs tors. theta energy: -77.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -941.302874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.302874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.302874 (E_RNA)
where:
Base-Base interactions energy: -631.398
where: short stacking energy: -284.871
Base-Backbone interact. energy: -0.824
local terms energy: -309.080321
where:
bonds (distance) C4'-P energy: -59.109
bonds (distance) P-C4' energy: -44.844
flat angles C4'-P-C4' energy: -68.404
flat angles P-C4'-P energy: -58.235
tors. eta vs tors. theta energy: -78.489
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: 2
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -934.454246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.454246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.454246 (E_RNA)
where:
Base-Base interactions energy: -640.000
where: short stacking energy: -284.609
Base-Backbone interact. energy: -1.421
local terms energy: -293.033687
where:
bonds (distance) C4'-P energy: -44.868
bonds (distance) P-C4' energy: -57.257
flat angles C4'-P-C4' energy: -75.687
flat angles P-C4'-P energy: -35.221
tors. eta vs tors. theta energy: -80.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -792.840403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.840403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.840403 (E_RNA)
where:
Base-Base interactions energy: -533.503
where: short stacking energy: -235.135
Base-Backbone interact. energy: -0.638
local terms energy: -258.699159
where:
bonds (distance) C4'-P energy: -48.725
bonds (distance) P-C4' energy: -60.518
flat angles C4'-P-C4' energy: -61.268
flat angles P-C4'-P energy: -30.968
tors. eta vs tors. theta energy: -57.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -668.642138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.642138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.642138 (E_RNA)
where:
Base-Base interactions energy: -420.161
where: short stacking energy: -201.534
Base-Backbone interact. energy: -1.945
local terms energy: -246.536358
where:
bonds (distance) C4'-P energy: -65.856
bonds (distance) P-C4' energy: -44.926
flat angles C4'-P-C4' energy: -58.506
flat angles P-C4'-P energy: -38.479
tors. eta vs tors. theta energy: -38.769
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: 5
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -463.172388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.172388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.172388 (E_RNA)
where:
Base-Base interactions energy: -245.092
where: short stacking energy: -140.253
Base-Backbone interact. energy: -1.350
local terms energy: -216.730335
where:
bonds (distance) C4'-P energy: -47.354
bonds (distance) P-C4' energy: -57.393
flat angles C4'-P-C4' energy: -56.269
flat angles P-C4'-P energy: -44.378
tors. eta vs tors. theta energy: -11.337
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: 7
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -286.067479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.067479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.067479 (E_RNA)
where:
Base-Base interactions energy: -115.115
where: short stacking energy: -89.049
Base-Backbone interact. energy: -1.102
local terms energy: -169.850154
where:
bonds (distance) C4'-P energy: -48.865
bonds (distance) P-C4' energy: -44.604
flat angles C4'-P-C4' energy: -53.160
flat angles P-C4'-P energy: -21.399
tors. eta vs tors. theta energy: -1.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -1183.220683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.220683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.220683 (E_RNA)
where:
Base-Base interactions energy: -821.418
where: short stacking energy: -348.825
Base-Backbone interact. energy: -2.754
local terms energy: -359.049104
where:
bonds (distance) C4'-P energy: -67.309
bonds (distance) P-C4' energy: -66.577
flat angles C4'-P-C4' energy: -75.534
flat angles P-C4'-P energy: -51.903
tors. eta vs tors. theta energy: -97.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -1069.282900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.282900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.282900 (E_RNA)
where:
Base-Base interactions energy: -719.085
where: short stacking energy: -335.959
Base-Backbone interact. energy: 1.506
local terms energy: -351.703595
where:
bonds (distance) C4'-P energy: -62.135
bonds (distance) P-C4' energy: -64.807
flat angles C4'-P-C4' energy: -72.462
flat angles P-C4'-P energy: -50.530
tors. eta vs tors. theta energy: -101.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -1094.968548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.968548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.968548 (E_RNA)
where:
Base-Base interactions energy: -766.694
where: short stacking energy: -331.211
Base-Backbone interact. energy: 1.160
local terms energy: -329.435026
where:
bonds (distance) C4'-P energy: -64.282
bonds (distance) P-C4' energy: -66.600
flat angles C4'-P-C4' energy: -70.833
flat angles P-C4'-P energy: -44.509
tors. eta vs tors. theta energy: -83.212
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: 4, replica: 10
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -1039.210498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.210498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.210498 (E_RNA)
where:
Base-Base interactions energy: -712.803
where: short stacking energy: -322.630
Base-Backbone interact. energy: -1.081
local terms energy: -325.326298
where:
bonds (distance) C4'-P energy: -58.404
bonds (distance) P-C4' energy: -58.198
flat angles C4'-P-C4' energy: -67.438
flat angles P-C4'-P energy: -51.937
tors. eta vs tors. theta energy: -89.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -940.697025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.697025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.697025 (E_RNA)
where:
Base-Base interactions energy: -632.169
where: short stacking energy: -279.869
Base-Backbone interact. energy: -2.923
local terms energy: -305.605083
where:
bonds (distance) C4'-P energy: -57.167
bonds (distance) P-C4' energy: -65.550
flat angles C4'-P-C4' energy: -65.715
flat angles P-C4'-P energy: -45.760
tors. eta vs tors. theta energy: -71.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -942.624801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.624801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.624801 (E_RNA)
where:
Base-Base interactions energy: -641.299
where: short stacking energy: -278.003
Base-Backbone interact. energy: -0.152
local terms energy: -301.173090
where:
bonds (distance) C4'-P energy: -59.385
bonds (distance) P-C4' energy: -61.196
flat angles C4'-P-C4' energy: -61.916
flat angles P-C4'-P energy: -50.514
tors. eta vs tors. theta energy: -68.162
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: 240
Temperature: 1.200000
Total energy: -812.763050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.763050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.763050 (E_RNA)
where:
Base-Base interactions energy: -549.593
where: short stacking energy: -242.231
Base-Backbone interact. energy: -0.725
local terms energy: -262.444966
where:
bonds (distance) C4'-P energy: -61.335
bonds (distance) P-C4' energy: -50.201
flat angles C4'-P-C4' energy: -59.482
flat angles P-C4'-P energy: -42.651
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: 8, replica: 6
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -680.707544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.707544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.707544 (E_RNA)
where:
Base-Base interactions energy: -431.849
where: short stacking energy: -211.506
Base-Backbone interact. energy: -1.406
local terms energy: -247.452077
where:
bonds (distance) C4'-P energy: -57.353
bonds (distance) P-C4' energy: -56.314
flat angles C4'-P-C4' energy: -53.486
flat angles P-C4'-P energy: -47.825
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: 9, replica: 5
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -455.250754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.250754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.250754 (E_RNA)
where:
Base-Base interactions energy: -254.984
where: short stacking energy: -152.693
Base-Backbone interact. energy: 1.469
local terms energy: -201.736063
where:
bonds (distance) C4'-P energy: -49.803
bonds (distance) P-C4' energy: -53.599
flat angles C4'-P-C4' energy: -53.505
flat angles P-C4'-P energy: -24.485
tors. eta vs tors. theta energy: -20.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -287.324952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.324952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.324952 (E_RNA)
where:
Base-Base interactions energy: -109.103
where: short stacking energy: -98.874
Base-Backbone interact. energy: 2.657
local terms energy: -180.878929
where:
bonds (distance) C4'-P energy: -56.578
bonds (distance) P-C4' energy: -58.902
flat angles C4'-P-C4' energy: -47.271
flat angles P-C4'-P energy: -30.054
tors. eta vs tors. theta energy: 11.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -1188.033662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.033662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.033662 (E_RNA)
where:
Base-Base interactions energy: -821.328
where: short stacking energy: -338.186
Base-Backbone interact. energy: -1.727
local terms energy: -364.978699
where:
bonds (distance) C4'-P energy: -72.222
bonds (distance) P-C4' energy: -70.053
flat angles C4'-P-C4' energy: -79.158
flat angles P-C4'-P energy: -55.373
tors. eta vs tors. theta energy: -88.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -1036.322689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.322689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.322689 (E_RNA)
where:
Base-Base interactions energy: -708.200
where: short stacking energy: -332.768
Base-Backbone interact. energy: -0.056
local terms energy: -328.066622
where:
bonds (distance) C4'-P energy: -56.333
bonds (distance) P-C4' energy: -57.028
flat angles C4'-P-C4' energy: -71.613
flat angles P-C4'-P energy: -46.328
tors. eta vs tors. theta energy: -96.764
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: 8
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -1094.250603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.250603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.250603 (E_RNA)
where:
Base-Base interactions energy: -782.550
where: short stacking energy: -330.414
Base-Backbone interact. energy: 1.967
local terms energy: -313.667169
where:
bonds (distance) C4'-P energy: -59.325
bonds (distance) P-C4' energy: -58.248
flat angles C4'-P-C4' energy: -58.733
flat angles P-C4'-P energy: -50.764
tors. eta vs tors. theta energy: -86.597
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: 241
Temperature: 1.050000
Total energy: -1041.758851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.758851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.758851 (E_RNA)
where:
Base-Base interactions energy: -716.140
where: short stacking energy: -296.934
Base-Backbone interact. energy: 0.422
local terms energy: -326.040960
where:
bonds (distance) C4'-P energy: -57.931
bonds (distance) P-C4' energy: -56.994
flat angles C4'-P-C4' energy: -76.022
flat angles P-C4'-P energy: -51.840
tors. eta vs tors. theta energy: -83.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -977.246481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.246481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.246481 (E_RNA)
where:
Base-Base interactions energy: -673.875
where: short stacking energy: -293.696
Base-Backbone interact. energy: -1.917
local terms energy: -301.455062
where:
bonds (distance) C4'-P energy: -57.187
bonds (distance) P-C4' energy: -57.129
flat angles C4'-P-C4' energy: -65.976
flat angles P-C4'-P energy: -46.354
tors. eta vs tors. theta energy: -74.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -920.504172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.504172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.504172 (E_RNA)
where:
Base-Base interactions energy: -611.365
where: short stacking energy: -250.890
Base-Backbone interact. energy: -1.574
local terms energy: -307.565347
where:
bonds (distance) C4'-P energy: -60.879
bonds (distance) P-C4' energy: -62.455
flat angles C4'-P-C4' energy: -66.406
flat angles P-C4'-P energy: -44.180
tors. eta vs tors. theta energy: -73.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -825.896751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.896751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.896751 (E_RNA)
where:
Base-Base interactions energy: -542.454
where: short stacking energy: -247.015
Base-Backbone interact. energy: -1.103
local terms energy: -282.339088
where:
bonds (distance) C4'-P energy: -56.678
bonds (distance) P-C4' energy: -60.687
flat angles C4'-P-C4' energy: -56.555
flat angles P-C4'-P energy: -46.124
tors. eta vs tors. theta energy: -62.295
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: 8, replica: 6
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -706.355382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.355382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.355382 (E_RNA)
where:
Base-Base interactions energy: -453.633
where: short stacking energy: -213.149
Base-Backbone interact. energy: -0.465
local terms energy: -252.258246
where:
bonds (distance) C4'-P energy: -55.944
bonds (distance) P-C4' energy: -55.700
flat angles C4'-P-C4' energy: -63.103
flat angles P-C4'-P energy: -35.333
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: 9, replica: 5
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -441.058680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.058680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.058680 (E_RNA)
where:
Base-Base interactions energy: -230.546
where: short stacking energy: -131.303
Base-Backbone interact. energy: -0.695
local terms energy: -209.818064
where:
bonds (distance) C4'-P energy: -48.374
bonds (distance) P-C4' energy: -63.327
flat angles C4'-P-C4' energy: -53.246
flat angles P-C4'-P energy: -28.239
tors. eta vs tors. theta energy: -16.632
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: 7
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -281.085043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.085043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.085043 (E_RNA)
where:
Base-Base interactions energy: -101.549
where: short stacking energy: -75.677
Base-Backbone interact. energy: 5.602
local terms energy: -185.138377
where:
bonds (distance) C4'-P energy: -49.490
bonds (distance) P-C4' energy: -63.592
flat angles C4'-P-C4' energy: -41.431
flat angles P-C4'-P energy: -29.694
tors. eta vs tors. theta energy: -0.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -1179.399607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.399607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.399607 (E_RNA)
where:
Base-Base interactions energy: -810.708
where: short stacking energy: -335.054
Base-Backbone interact. energy: -2.481
local terms energy: -366.210744
where:
bonds (distance) C4'-P energy: -69.857
bonds (distance) P-C4' energy: -64.864
flat angles C4'-P-C4' energy: -74.164
flat angles P-C4'-P energy: -59.625
tors. eta vs tors. theta energy: -97.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -1064.233968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.233968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.233968 (E_RNA)
where:
Base-Base interactions energy: -718.555
where: short stacking energy: -326.617
Base-Backbone interact. energy: 0.291
local terms energy: -345.969770
where:
bonds (distance) C4'-P energy: -57.476
bonds (distance) P-C4' energy: -68.614
flat angles C4'-P-C4' energy: -73.424
flat angles P-C4'-P energy: -48.619
tors. eta vs tors. theta energy: -97.836
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: 8
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -1113.363882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.363882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.363882 (E_RNA)
where:
Base-Base interactions energy: -773.747
where: short stacking energy: -324.331
Base-Backbone interact. energy: -1.044
local terms energy: -338.572891
where:
bonds (distance) C4'-P energy: -60.799
bonds (distance) P-C4' energy: -61.543
flat angles C4'-P-C4' energy: -73.948
flat angles P-C4'-P energy: -54.283
tors. eta vs tors. theta energy: -88.000
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: 4, replica: 10
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -1005.508537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.508537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.508537 (E_RNA)
where:
Base-Base interactions energy: -699.580
where: short stacking energy: -287.162
Base-Backbone interact. energy: -1.353
local terms energy: -304.575374
where:
bonds (distance) C4'-P energy: -63.429
bonds (distance) P-C4' energy: -68.131
flat angles C4'-P-C4' energy: -55.405
flat angles P-C4'-P energy: -37.712
tors. eta vs tors. theta energy: -79.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -970.830766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.830766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.830766 (E_RNA)
where:
Base-Base interactions energy: -651.325
where: short stacking energy: -266.709
Base-Backbone interact. energy: -1.154
local terms energy: -318.351888
where:
bonds (distance) C4'-P energy: -52.446
bonds (distance) P-C4' energy: -67.590
flat angles C4'-P-C4' energy: -72.770
flat angles P-C4'-P energy: -52.328
tors. eta vs tors. theta energy: -73.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -952.203607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.203607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.203607 (E_RNA)
where:
Base-Base interactions energy: -652.873
where: short stacking energy: -289.542
Base-Backbone interact. energy: -0.028
local terms energy: -299.302899
where:
bonds (distance) C4'-P energy: -57.259
bonds (distance) P-C4' energy: -57.414
flat angles C4'-P-C4' energy: -68.545
flat angles P-C4'-P energy: -34.129
tors. eta vs tors. theta energy: -81.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -809.075244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.075244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.075244 (E_RNA)
where:
Base-Base interactions energy: -539.557
where: short stacking energy: -245.930
Base-Backbone interact. energy: -0.338
local terms energy: -269.179787
where:
bonds (distance) C4'-P energy: -57.852
bonds (distance) P-C4' energy: -59.509
flat angles C4'-P-C4' energy: -66.101
flat angles P-C4'-P energy: -29.059
tors. eta vs tors. theta energy: -56.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -701.246047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.246047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.246047 (E_RNA)
where:
Base-Base interactions energy: -457.868
where: short stacking energy: -200.063
Base-Backbone interact. energy: 0.207
local terms energy: -243.584101
where:
bonds (distance) C4'-P energy: -50.119
bonds (distance) P-C4' energy: -46.575
flat angles C4'-P-C4' energy: -60.759
flat angles P-C4'-P energy: -36.816
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: 9, replica: 5
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -440.510452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.510452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.510452 (E_RNA)
where:
Base-Base interactions energy: -224.191
where: short stacking energy: -125.473
Base-Backbone interact. energy: -0.875
local terms energy: -215.444151
where:
bonds (distance) C4'-P energy: -55.102
bonds (distance) P-C4' energy: -59.165
flat angles C4'-P-C4' energy: -46.462
flat angles P-C4'-P energy: -34.119
tors. eta vs tors. theta energy: -20.595
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: 10, replica: 7
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -265.425704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.425704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.425704 (E_RNA)
where:
Base-Base interactions energy: -109.650
where: short stacking energy: -102.257
Base-Backbone interact. energy: -0.212
local terms energy: -155.564075
where:
bonds (distance) C4'-P energy: -52.505
bonds (distance) P-C4' energy: -47.256
flat angles C4'-P-C4' energy: -40.521
flat angles P-C4'-P energy: -25.611
tors. eta vs tors. theta energy: 10.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -1190.540891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.540891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.540891 (E_RNA)
where:
Base-Base interactions energy: -828.346
where: short stacking energy: -354.359
Base-Backbone interact. energy: -1.971
local terms energy: -360.224451
where:
bonds (distance) C4'-P energy: -65.782
bonds (distance) P-C4' energy: -75.390
flat angles C4'-P-C4' energy: -72.562
flat angles P-C4'-P energy: -55.314
tors. eta vs tors. theta energy: -91.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -1132.663692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.663692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.663692 (E_RNA)
where:
Base-Base interactions energy: -806.654
where: short stacking energy: -327.349
Base-Backbone interact. energy: 2.854
local terms energy: -328.863469
where:
bonds (distance) C4'-P energy: -53.515
bonds (distance) P-C4' energy: -71.224
flat angles C4'-P-C4' energy: -72.004
flat angles P-C4'-P energy: -46.817
tors. eta vs tors. theta energy: -85.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -1036.069231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.069231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.069231 (E_RNA)
where:
Base-Base interactions energy: -695.597
where: short stacking energy: -319.511
Base-Backbone interact. energy: -1.251
local terms energy: -339.221141
where:
bonds (distance) C4'-P energy: -66.773
bonds (distance) P-C4' energy: -68.059
flat angles C4'-P-C4' energy: -74.331
flat angles P-C4'-P energy: -41.590
tors. eta vs tors. theta energy: -88.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -1019.886739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.886739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.886739 (E_RNA)
where:
Base-Base interactions energy: -704.583
where: short stacking energy: -307.171
Base-Backbone interact. energy: -0.927
local terms energy: -314.376948
where:
bonds (distance) C4'-P energy: -55.671
bonds (distance) P-C4' energy: -65.425
flat angles C4'-P-C4' energy: -66.061
flat angles P-C4'-P energy: -42.920
tors. eta vs tors. theta energy: -84.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -951.772325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.772325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.772325 (E_RNA)
where:
Base-Base interactions energy: -647.261
where: short stacking energy: -262.819
Base-Backbone interact. energy: -1.155
local terms energy: -303.356304
where:
bonds (distance) C4'-P energy: -48.632
bonds (distance) P-C4' energy: -70.808
flat angles C4'-P-C4' energy: -63.716
flat angles P-C4'-P energy: -44.666
tors. eta vs tors. theta energy: -75.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -957.609159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.609159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.609159 (E_RNA)
where:
Base-Base interactions energy: -651.751
where: short stacking energy: -275.972
Base-Backbone interact. energy: 0.479
local terms energy: -306.337045
where:
bonds (distance) C4'-P energy: -61.751
bonds (distance) P-C4' energy: -61.001
flat angles C4'-P-C4' energy: -60.039
flat angles P-C4'-P energy: -45.228
tors. eta vs tors. theta energy: -78.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -790.651972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.651972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.651972 (E_RNA)
where:
Base-Base interactions energy: -527.401
where: short stacking energy: -233.100
Base-Backbone interact. energy: 6.892
local terms energy: -270.142702
where:
bonds (distance) C4'-P energy: -62.009
bonds (distance) P-C4' energy: -56.280
flat angles C4'-P-C4' energy: -62.258
flat angles P-C4'-P energy: -38.075
tors. eta vs tors. theta energy: -51.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -687.278144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.278144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.278144 (E_RNA)
where:
Base-Base interactions energy: -444.646
where: short stacking energy: -197.785
Base-Backbone interact. energy: -0.460
local terms energy: -242.171468
where:
bonds (distance) C4'-P energy: -52.176
bonds (distance) P-C4' energy: -52.945
flat angles C4'-P-C4' energy: -45.769
flat angles P-C4'-P energy: -42.437
tors. eta vs tors. theta energy: -48.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -459.941415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.941415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.941415 (E_RNA)
where:
Base-Base interactions energy: -246.297
where: short stacking energy: -136.080
Base-Backbone interact. energy: 0.778
local terms energy: -214.422796
where:
bonds (distance) C4'-P energy: -50.545
bonds (distance) P-C4' energy: -57.569
flat angles C4'-P-C4' energy: -48.711
flat angles P-C4'-P energy: -31.515
tors. eta vs tors. theta energy: -26.084
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: 7
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -265.343835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.343835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.343835 (E_RNA)
where:
Base-Base interactions energy: -104.275
where: short stacking energy: -90.894
Base-Backbone interact. energy: 2.192
local terms energy: -163.260675
where:
bonds (distance) C4'-P energy: -56.860
bonds (distance) P-C4' energy: -65.536
flat angles C4'-P-C4' energy: -46.238
flat angles P-C4'-P energy: -7.581
tors. eta vs tors. theta energy: 12.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -1167.958187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.958187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.958187 (E_RNA)
where:
Base-Base interactions energy: -797.831
where: short stacking energy: -342.005
Base-Backbone interact. energy: -0.680
local terms energy: -369.447942
where:
bonds (distance) C4'-P energy: -59.075
bonds (distance) P-C4' energy: -74.881
flat angles C4'-P-C4' energy: -76.403
flat angles P-C4'-P energy: -56.110
tors. eta vs tors. theta energy: -102.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -1120.709341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.709341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.709341 (E_RNA)
where:
Base-Base interactions energy: -786.957
where: short stacking energy: -320.698
Base-Backbone interact. energy: -1.714
local terms energy: -332.038063
where:
bonds (distance) C4'-P energy: -67.020
bonds (distance) P-C4' energy: -65.412
flat angles C4'-P-C4' energy: -69.552
flat angles P-C4'-P energy: -47.328
tors. eta vs tors. theta energy: -82.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -1030.050373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.050373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.050373 (E_RNA)
where:
Base-Base interactions energy: -716.285
where: short stacking energy: -308.349
Base-Backbone interact. energy: 0.592
local terms energy: -314.357513
where:
bonds (distance) C4'-P energy: -54.095
bonds (distance) P-C4' energy: -63.315
flat angles C4'-P-C4' energy: -62.541
flat angles P-C4'-P energy: -47.822
tors. eta vs tors. theta energy: -86.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -1028.921530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.921530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.921530 (E_RNA)
where:
Base-Base interactions energy: -699.462
where: short stacking energy: -333.710
Base-Backbone interact. energy: -3.191
local terms energy: -326.268546
where:
bonds (distance) C4'-P energy: -51.843
bonds (distance) P-C4' energy: -61.503
flat angles C4'-P-C4' energy: -73.278
flat angles P-C4'-P energy: -43.704
tors. eta vs tors. theta energy: -95.940
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: 2
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -978.158703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.158703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.158703 (E_RNA)
where:
Base-Base interactions energy: -699.728
where: short stacking energy: -287.148
Base-Backbone interact. energy: 0.490
local terms energy: -278.920258
where:
bonds (distance) C4'-P energy: -36.298
bonds (distance) P-C4' energy: -57.986
flat angles C4'-P-C4' energy: -77.097
flat angles P-C4'-P energy: -43.193
tors. eta vs tors. theta energy: -64.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -900.823854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.823854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.823854 (E_RNA)
where:
Base-Base interactions energy: -617.689
where: short stacking energy: -256.218
Base-Backbone interact. energy: -3.441
local terms energy: -279.693450
where:
bonds (distance) C4'-P energy: -57.589
bonds (distance) P-C4' energy: -56.708
flat angles C4'-P-C4' energy: -59.839
flat angles P-C4'-P energy: -42.215
tors. eta vs tors. theta energy: -63.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -789.103123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.103123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.103123 (E_RNA)
where:
Base-Base interactions energy: -521.994
where: short stacking energy: -236.546
Base-Backbone interact. energy: 0.858
local terms energy: -267.967188
where:
bonds (distance) C4'-P energy: -60.024
bonds (distance) P-C4' energy: -46.553
flat angles C4'-P-C4' energy: -65.318
flat angles P-C4'-P energy: -38.399
tors. eta vs tors. theta energy: -57.672
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: 6
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -717.510367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.510367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.510367 (E_RNA)
where:
Base-Base interactions energy: -473.044
where: short stacking energy: -228.328
Base-Backbone interact. energy: 3.349
local terms energy: -247.814793
where:
bonds (distance) C4'-P energy: -43.854
bonds (distance) P-C4' energy: -53.433
flat angles C4'-P-C4' energy: -60.028
flat angles P-C4'-P energy: -46.626
tors. eta vs tors. theta energy: -43.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -455.120285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.120285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.120285 (E_RNA)
where:
Base-Base interactions energy: -245.846
where: short stacking energy: -130.862
Base-Backbone interact. energy: -1.006
local terms energy: -208.268417
where:
bonds (distance) C4'-P energy: -40.251
bonds (distance) P-C4' energy: -61.153
flat angles C4'-P-C4' energy: -53.362
flat angles P-C4'-P energy: -30.721
tors. eta vs tors. theta energy: -22.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -308.876022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.876022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.876022 (E_RNA)
where:
Base-Base interactions energy: -137.078
where: short stacking energy: -79.113
Base-Backbone interact. energy: -1.770
local terms energy: -170.027646
where:
bonds (distance) C4'-P energy: -44.028
bonds (distance) P-C4' energy: -59.413
flat angles C4'-P-C4' energy: -50.491
flat angles P-C4'-P energy: -30.144
tors. eta vs tors. theta energy: 14.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -1160.541754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.541754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.541754 (E_RNA)
where:
Base-Base interactions energy: -803.310
where: short stacking energy: -363.872
Base-Backbone interact. energy: 2.802
local terms energy: -360.034058
where:
bonds (distance) C4'-P energy: -65.343
bonds (distance) P-C4' energy: -71.225
flat angles C4'-P-C4' energy: -75.969
flat angles P-C4'-P energy: -48.300
tors. eta vs tors. theta energy: -99.197
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: 8
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -1142.098175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.098175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.098175 (E_RNA)
where:
Base-Base interactions energy: -816.611
where: short stacking energy: -329.136
Base-Backbone interact. energy: 2.916
local terms energy: -328.403536
where:
bonds (distance) C4'-P energy: -60.302
bonds (distance) P-C4' energy: -62.654
flat angles C4'-P-C4' energy: -72.848
flat angles P-C4'-P energy: -44.921
tors. eta vs tors. theta energy: -87.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -1070.278239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.278239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.278239 (E_RNA)
where:
Base-Base interactions energy: -734.645
where: short stacking energy: -315.123
Base-Backbone interact. energy: 1.668
local terms energy: -337.301466
where:
bonds (distance) C4'-P energy: -61.826
bonds (distance) P-C4' energy: -60.153
flat angles C4'-P-C4' energy: -72.723
flat angles P-C4'-P energy: -54.540
tors. eta vs tors. theta energy: -88.059
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: 4
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -1022.243411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.243411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.243411 (E_RNA)
where:
Base-Base interactions energy: -701.960
where: short stacking energy: -311.587
Base-Backbone interact. energy: -2.055
local terms energy: -318.227956
where:
bonds (distance) C4'-P energy: -55.235
bonds (distance) P-C4' energy: -66.021
flat angles C4'-P-C4' energy: -67.938
flat angles P-C4'-P energy: -39.230
tors. eta vs tors. theta energy: -89.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -975.991743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.991743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.991743 (E_RNA)
where:
Base-Base interactions energy: -654.236
where: short stacking energy: -289.777
Base-Backbone interact. energy: -1.728
local terms energy: -320.027696
where:
bonds (distance) C4'-P energy: -59.847
bonds (distance) P-C4' energy: -70.226
flat angles C4'-P-C4' energy: -70.393
flat angles P-C4'-P energy: -44.299
tors. eta vs tors. theta energy: -75.263
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: 9
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -900.936649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.936649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.936649 (E_RNA)
where:
Base-Base interactions energy: -612.899
where: short stacking energy: -237.295
Base-Backbone interact. energy: -0.710
local terms energy: -287.327552
where:
bonds (distance) C4'-P energy: -56.165
bonds (distance) P-C4' energy: -63.062
flat angles C4'-P-C4' energy: -68.083
flat angles P-C4'-P energy: -37.707
tors. eta vs tors. theta energy: -62.311
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: 245
Temperature: 1.200000
Total energy: -850.637568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.637568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.637568 (E_RNA)
where:
Base-Base interactions energy: -575.926
where: short stacking energy: -248.993
Base-Backbone interact. energy: 3.301
local terms energy: -278.012868
where:
bonds (distance) C4'-P energy: -55.806
bonds (distance) P-C4' energy: -52.318
flat angles C4'-P-C4' energy: -61.074
flat angles P-C4'-P energy: -39.474
tors. eta vs tors. theta energy: -69.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -696.321667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.321667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.321667 (E_RNA)
where:
Base-Base interactions energy: -440.682
where: short stacking energy: -189.626
Base-Backbone interact. energy: 0.543
local terms energy: -256.182690
where:
bonds (distance) C4'-P energy: -53.011
bonds (distance) P-C4' energy: -57.244
flat angles C4'-P-C4' energy: -64.747
flat angles P-C4'-P energy: -34.916
tors. eta vs tors. theta energy: -46.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -460.988903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.988903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.988903 (E_RNA)
where:
Base-Base interactions energy: -254.909
where: short stacking energy: -142.788
Base-Backbone interact. energy: -0.976
local terms energy: -205.103346
where:
bonds (distance) C4'-P energy: -56.920
bonds (distance) P-C4' energy: -47.109
flat angles C4'-P-C4' energy: -52.081
flat angles P-C4'-P energy: -31.425
tors. eta vs tors. theta energy: -17.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -278.938413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.938413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.938413 (E_RNA)
where:
Base-Base interactions energy: -87.338
where: short stacking energy: -76.247
Base-Backbone interact. energy: -0.129
local terms energy: -191.471461
where:
bonds (distance) C4'-P energy: -59.632
bonds (distance) P-C4' energy: -65.026
flat angles C4'-P-C4' energy: -25.708
flat angles P-C4'-P energy: -38.145
tors. eta vs tors. theta energy: -2.960
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: 1
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -1154.602541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.602541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.602541 (E_RNA)
where:
Base-Base interactions energy: -803.251
where: short stacking energy: -350.445
Base-Backbone interact. energy: -1.871
local terms energy: -349.480994
where:
bonds (distance) C4'-P energy: -59.487
bonds (distance) P-C4' energy: -71.089
flat angles C4'-P-C4' energy: -75.433
flat angles P-C4'-P energy: -45.985
tors. eta vs tors. theta energy: -97.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -1098.723969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.723969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.723969 (E_RNA)
where:
Base-Base interactions energy: -772.228
where: short stacking energy: -307.719
Base-Backbone interact. energy: -1.445
local terms energy: -325.051095
where:
bonds (distance) C4'-P energy: -68.437
bonds (distance) P-C4' energy: -56.196
flat angles C4'-P-C4' energy: -73.591
flat angles P-C4'-P energy: -42.821
tors. eta vs tors. theta energy: -84.006
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: 246
Temperature: 1.000000
Total energy: -1092.193534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.193534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.193534 (E_RNA)
where:
Base-Base interactions energy: -757.881
where: short stacking energy: -328.021
Base-Backbone interact. energy: -0.935
local terms energy: -333.377432
where:
bonds (distance) C4'-P energy: -56.991
bonds (distance) P-C4' energy: -64.240
flat angles C4'-P-C4' energy: -76.796
flat angles P-C4'-P energy: -42.463
tors. eta vs tors. theta energy: -92.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -1017.632923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.632923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.632923 (E_RNA)
where:
Base-Base interactions energy: -684.353
where: short stacking energy: -303.372
Base-Backbone interact. energy: -1.976
local terms energy: -331.304447
where:
bonds (distance) C4'-P energy: -59.615
bonds (distance) P-C4' energy: -69.300
flat angles C4'-P-C4' energy: -71.666
flat angles P-C4'-P energy: -43.972
tors. eta vs tors. theta energy: -86.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -986.799459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.799459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.799459 (E_RNA)
where:
Base-Base interactions energy: -677.613
where: short stacking energy: -293.207
Base-Backbone interact. energy: 0.281
local terms energy: -309.467504
where:
bonds (distance) C4'-P energy: -54.606
bonds (distance) P-C4' energy: -71.674
flat angles C4'-P-C4' energy: -64.566
flat angles P-C4'-P energy: -42.082
tors. eta vs tors. theta energy: -76.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -863.786584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.786584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.786584 (E_RNA)
where:
Base-Base interactions energy: -587.079
where: short stacking energy: -243.834
Base-Backbone interact. energy: -1.707
local terms energy: -275.000462
where:
bonds (distance) C4'-P energy: -55.861
bonds (distance) P-C4' energy: -64.095
flat angles C4'-P-C4' energy: -63.843
flat angles P-C4'-P energy: -43.367
tors. eta vs tors. theta energy: -47.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -700.435410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.435410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.435410 (E_RNA)
where:
Base-Base interactions energy: -440.651
where: short stacking energy: -245.244
Base-Backbone interact. energy: -0.211
local terms energy: -259.573929
where:
bonds (distance) C4'-P energy: -59.429
bonds (distance) P-C4' energy: -56.528
flat angles C4'-P-C4' energy: -52.709
flat angles P-C4'-P energy: -35.479
tors. eta vs tors. theta energy: -55.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -758.196956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.196956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.196956 (E_RNA)
where:
Base-Base interactions energy: -500.877
where: short stacking energy: -216.782
Base-Backbone interact. energy: -1.950
local terms energy: -255.369894
where:
bonds (distance) C4'-P energy: -51.256
bonds (distance) P-C4' energy: -50.778
flat angles C4'-P-C4' energy: -52.694
flat angles P-C4'-P energy: -41.649
tors. eta vs tors. theta energy: -58.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -445.942642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.942642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.942642 (E_RNA)
where:
Base-Base interactions energy: -253.243
where: short stacking energy: -139.144
Base-Backbone interact. energy: -1.523
local terms energy: -191.176828
where:
bonds (distance) C4'-P energy: -62.454
bonds (distance) P-C4' energy: -60.154
flat angles C4'-P-C4' energy: -36.090
flat angles P-C4'-P energy: -17.240
tors. eta vs tors. theta energy: -15.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -330.142108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.142108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.142108 (E_RNA)
where:
Base-Base interactions energy: -172.554
where: short stacking energy: -106.408
Base-Backbone interact. energy: 1.221
local terms energy: -158.808625
where:
bonds (distance) C4'-P energy: -42.175
bonds (distance) P-C4' energy: -44.318
flat angles C4'-P-C4' energy: -47.364
flat angles P-C4'-P energy: -23.804
tors. eta vs tors. theta energy: -1.148
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: 1, replica: 1
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -1161.114233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.114233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.114233 (E_RNA)
where:
Base-Base interactions energy: -807.272
where: short stacking energy: -348.066
Base-Backbone interact. energy: -0.905
local terms energy: -352.937174
where:
bonds (distance) C4'-P energy: -61.832
bonds (distance) P-C4' energy: -68.881
flat angles C4'-P-C4' energy: -78.427
flat angles P-C4'-P energy: -49.852
tors. eta vs tors. theta energy: -93.945
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: 8
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -1103.775147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.775147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.775147 (E_RNA)
where:
Base-Base interactions energy: -773.139
where: short stacking energy: -309.125
Base-Backbone interact. energy: -1.644
local terms energy: -328.991962
where:
bonds (distance) C4'-P energy: -58.901
bonds (distance) P-C4' energy: -71.252
flat angles C4'-P-C4' energy: -70.090
flat angles P-C4'-P energy: -50.356
tors. eta vs tors. theta energy: -78.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -1091.781387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.781387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.781387 (E_RNA)
where:
Base-Base interactions energy: -762.027
where: short stacking energy: -348.515
Base-Backbone interact. energy: -1.194
local terms energy: -328.560281
where:
bonds (distance) C4'-P energy: -65.786
bonds (distance) P-C4' energy: -43.005
flat angles C4'-P-C4' energy: -77.000
flat angles P-C4'-P energy: -49.617
tors. eta vs tors. theta energy: -93.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -989.722079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.722079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.722079 (E_RNA)
where:
Base-Base interactions energy: -682.236
where: short stacking energy: -293.927
Base-Backbone interact. energy: -1.273
local terms energy: -306.212947
where:
bonds (distance) C4'-P energy: -57.245
bonds (distance) P-C4' energy: -62.005
flat angles C4'-P-C4' energy: -63.399
flat angles P-C4'-P energy: -44.511
tors. eta vs tors. theta energy: -79.053
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: 5, replica: 4
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -993.453239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.453239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.453239 (E_RNA)
where:
Base-Base interactions energy: -678.779
where: short stacking energy: -304.404
Base-Backbone interact. energy: -1.486
local terms energy: -313.188410
where:
bonds (distance) C4'-P energy: -57.962
bonds (distance) P-C4' energy: -61.797
flat angles C4'-P-C4' energy: -70.895
flat angles P-C4'-P energy: -36.203
tors. eta vs tors. theta energy: -86.330
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: 6, replica: 9
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -859.966742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.966742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.966742 (E_RNA)
where:
Base-Base interactions energy: -576.138
where: short stacking energy: -242.801
Base-Backbone interact. energy: -1.250
local terms energy: -282.579585
where:
bonds (distance) C4'-P energy: -64.843
bonds (distance) P-C4' energy: -56.830
flat angles C4'-P-C4' energy: -59.940
flat angles P-C4'-P energy: -39.246
tors. eta vs tors. theta energy: -61.720
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: 7, replica: 6
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -677.475085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.475085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.475085 (E_RNA)
where:
Base-Base interactions energy: -429.558
where: short stacking energy: -213.516
Base-Backbone interact. energy: -1.436
local terms energy: -246.480935
where:
bonds (distance) C4'-P energy: -38.839
bonds (distance) P-C4' energy: -64.678
flat angles C4'-P-C4' energy: -64.990
flat angles P-C4'-P energy: -34.464
tors. eta vs tors. theta energy: -43.509
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: 3
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -735.976440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.976440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.976440 (E_RNA)
where:
Base-Base interactions energy: -502.727
where: short stacking energy: -221.323
Base-Backbone interact. energy: -1.264
local terms energy: -231.985189
where:
bonds (distance) C4'-P energy: -49.357
bonds (distance) P-C4' energy: -56.055
flat angles C4'-P-C4' energy: -54.704
flat angles P-C4'-P energy: -28.854
tors. eta vs tors. theta energy: -43.016
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: 9, replica: 5
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -417.756935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.756935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.756935 (E_RNA)
where:
Base-Base interactions energy: -211.557
where: short stacking energy: -119.055
Base-Backbone interact. energy: -0.263
local terms energy: -205.937705
where:
bonds (distance) C4'-P energy: -51.808
bonds (distance) P-C4' energy: -63.808
flat angles C4'-P-C4' energy: -53.157
flat angles P-C4'-P energy: -24.284
tors. eta vs tors. theta energy: -12.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -342.665043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.665043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.665043 (E_RNA)
where:
Base-Base interactions energy: -161.308
where: short stacking energy: -112.893
Base-Backbone interact. energy: -1.374
local terms energy: -179.982538
where:
bonds (distance) C4'-P energy: -40.936
bonds (distance) P-C4' energy: -56.595
flat angles C4'-P-C4' energy: -41.257
flat angles P-C4'-P energy: -32.402
tors. eta vs tors. theta energy: -8.793
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: 1, replica: 1
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -1146.179876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.179876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.179876 (E_RNA)
where:
Base-Base interactions energy: -786.651
where: short stacking energy: -348.186
Base-Backbone interact. energy: -0.490
local terms energy: -359.038564
where:
bonds (distance) C4'-P energy: -70.213
bonds (distance) P-C4' energy: -67.270
flat angles C4'-P-C4' energy: -74.838
flat angles P-C4'-P energy: -55.265
tors. eta vs tors. theta energy: -91.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -1120.499353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.499353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.499353 (E_RNA)
where:
Base-Base interactions energy: -801.951
where: short stacking energy: -337.698
Base-Backbone interact. energy: 6.153
local terms energy: -324.701510
where:
bonds (distance) C4'-P energy: -66.499
bonds (distance) P-C4' energy: -61.755
flat angles C4'-P-C4' energy: -66.558
flat angles P-C4'-P energy: -42.987
tors. eta vs tors. theta energy: -86.902
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: 10
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -1071.884243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.884243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.884243 (E_RNA)
where:
Base-Base interactions energy: -727.996
where: short stacking energy: -317.317
Base-Backbone interact. energy: -0.524
local terms energy: -343.363895
where:
bonds (distance) C4'-P energy: -65.887
bonds (distance) P-C4' energy: -64.505
flat angles C4'-P-C4' energy: -66.352
flat angles P-C4'-P energy: -52.683
tors. eta vs tors. theta energy: -93.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -1007.179986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.179986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.179986 (E_RNA)
where:
Base-Base interactions energy: -693.286
where: short stacking energy: -292.765
Base-Backbone interact. energy: -0.581
local terms energy: -313.312129
where:
bonds (distance) C4'-P energy: -66.051
bonds (distance) P-C4' energy: -58.774
flat angles C4'-P-C4' energy: -60.503
flat angles P-C4'-P energy: -48.258
tors. eta vs tors. theta energy: -79.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -965.014656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.014656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.014656 (E_RNA)
where:
Base-Base interactions energy: -654.590
where: short stacking energy: -311.221
Base-Backbone interact. energy: -0.188
local terms energy: -310.237446
where:
bonds (distance) C4'-P energy: -54.521
bonds (distance) P-C4' energy: -56.645
flat angles C4'-P-C4' energy: -63.245
flat angles P-C4'-P energy: -48.339
tors. eta vs tors. theta energy: -87.488
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: 9
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -867.848536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.848536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.848536 (E_RNA)
where:
Base-Base interactions energy: -590.989
where: short stacking energy: -244.491
Base-Backbone interact. energy: 0.654
local terms energy: -277.514271
where:
bonds (distance) C4'-P energy: -45.350
bonds (distance) P-C4' energy: -62.225
flat angles C4'-P-C4' energy: -61.629
flat angles P-C4'-P energy: -43.354
tors. eta vs tors. theta energy: -64.955
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: 3
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -769.527308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.527308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.527308 (E_RNA)
where:
Base-Base interactions energy: -519.827
where: short stacking energy: -222.080
Base-Backbone interact. energy: -1.569
local terms energy: -248.131183
where:
bonds (distance) C4'-P energy: -47.037
bonds (distance) P-C4' energy: -54.389
flat angles C4'-P-C4' energy: -51.504
flat angles P-C4'-P energy: -44.300
tors. eta vs tors. theta energy: -50.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -640.038980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.038980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.038980 (E_RNA)
where:
Base-Base interactions energy: -398.591
where: short stacking energy: -201.446
Base-Backbone interact. energy: -1.303
local terms energy: -240.145348
where:
bonds (distance) C4'-P energy: -61.085
bonds (distance) P-C4' energy: -50.171
flat angles C4'-P-C4' energy: -65.204
flat angles P-C4'-P energy: -34.872
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: 9, replica: 7
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -377.324391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.324391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.324391 (E_RNA)
where:
Base-Base interactions energy: -171.548
where: short stacking energy: -113.555
Base-Backbone interact. energy: -2.252
local terms energy: -203.524443
where:
bonds (distance) C4'-P energy: -57.425
bonds (distance) P-C4' energy: -52.896
flat angles C4'-P-C4' energy: -60.044
flat angles P-C4'-P energy: -25.921
tors. eta vs tors. theta energy: -7.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -397.391258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.391258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.391258 (E_RNA)
where:
Base-Base interactions energy: -212.217
where: short stacking energy: -110.264
Base-Backbone interact. energy: -2.183
local terms energy: -182.991080
where:
bonds (distance) C4'-P energy: -56.991
bonds (distance) P-C4' energy: -49.697
flat angles C4'-P-C4' energy: -43.730
flat angles P-C4'-P energy: -27.829
tors. eta vs tors. theta energy: -4.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -1153.440207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.440207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.440207 (E_RNA)
where:
Base-Base interactions energy: -787.998
where: short stacking energy: -330.346
Base-Backbone interact. energy: -1.243
local terms energy: -364.198936
where:
bonds (distance) C4'-P energy: -67.502
bonds (distance) P-C4' energy: -68.352
flat angles C4'-P-C4' energy: -75.961
flat angles P-C4'-P energy: -57.824
tors. eta vs tors. theta energy: -94.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -1124.138871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.138871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.138871 (E_RNA)
where:
Base-Base interactions energy: -791.501
where: short stacking energy: -326.987
Base-Backbone interact. energy: 4.346
local terms energy: -336.983708
where:
bonds (distance) C4'-P energy: -63.119
bonds (distance) P-C4' energy: -65.609
flat angles C4'-P-C4' energy: -72.646
flat angles P-C4'-P energy: -39.581
tors. eta vs tors. theta energy: -96.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -1090.732072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.732072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.732072 (E_RNA)
where:
Base-Base interactions energy: -737.796
where: short stacking energy: -320.415
Base-Backbone interact. energy: -1.702
local terms energy: -351.234106
where:
bonds (distance) C4'-P energy: -62.748
bonds (distance) P-C4' energy: -58.121
flat angles C4'-P-C4' energy: -73.012
flat angles P-C4'-P energy: -56.006
tors. eta vs tors. theta energy: -101.347
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: 2
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -996.012200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.012200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.012200 (E_RNA)
where:
Base-Base interactions energy: -694.502
where: short stacking energy: -294.200
Base-Backbone interact. energy: -1.121
local terms energy: -300.389115
where:
bonds (distance) C4'-P energy: -61.254
bonds (distance) P-C4' energy: -59.736
flat angles C4'-P-C4' energy: -68.653
flat angles P-C4'-P energy: -44.987
tors. eta vs tors. theta energy: -65.758
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: 4
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -1014.475851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.475851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.475851 (E_RNA)
where:
Base-Base interactions energy: -693.875
where: short stacking energy: -309.991
Base-Backbone interact. energy: -0.275
local terms energy: -320.325975
where:
bonds (distance) C4'-P energy: -56.899
bonds (distance) P-C4' energy: -64.229
flat angles C4'-P-C4' energy: -75.148
flat angles P-C4'-P energy: -35.923
tors. eta vs tors. theta energy: -88.128
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: 9
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -914.885281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.885281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.885281 (E_RNA)
where:
Base-Base interactions energy: -636.836
where: short stacking energy: -268.318
Base-Backbone interact. energy: 1.024
local terms energy: -279.073783
where:
bonds (distance) C4'-P energy: -60.900
bonds (distance) P-C4' energy: -53.314
flat angles C4'-P-C4' energy: -62.445
flat angles P-C4'-P energy: -37.534
tors. eta vs tors. theta energy: -64.881
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: 3
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -764.838742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.838742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.838742 (E_RNA)
where:
Base-Base interactions energy: -509.667
where: short stacking energy: -220.344
Base-Backbone interact. energy: -1.116
local terms energy: -254.056435
where:
bonds (distance) C4'-P energy: -49.545
bonds (distance) P-C4' energy: -53.226
flat angles C4'-P-C4' energy: -59.627
flat angles P-C4'-P energy: -38.566
tors. eta vs tors. theta energy: -53.093
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: 6
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -659.278924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.278924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.278924 (E_RNA)
where:
Base-Base interactions energy: -410.705
where: short stacking energy: -212.738
Base-Backbone interact. energy: -1.745
local terms energy: -246.829017
where:
bonds (distance) C4'-P energy: -44.805
bonds (distance) P-C4' energy: -61.577
flat angles C4'-P-C4' energy: -51.839
flat angles P-C4'-P energy: -42.787
tors. eta vs tors. theta energy: -45.821
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: 7
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -380.709328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.709328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.709328 (E_RNA)
where:
Base-Base interactions energy: -193.576
where: short stacking energy: -131.810
Base-Backbone interact. energy: 5.875
local terms energy: -193.009077
where:
bonds (distance) C4'-P energy: -42.734
bonds (distance) P-C4' energy: -53.836
flat angles C4'-P-C4' energy: -61.646
flat angles P-C4'-P energy: -27.458
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: 10, replica: 5
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -407.236329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.236329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.236329 (E_RNA)
where:
Base-Base interactions energy: -201.750
where: short stacking energy: -130.017
Base-Backbone interact. energy: 2.269
local terms energy: -207.755141
where:
bonds (distance) C4'-P energy: -49.694
bonds (distance) P-C4' energy: -64.341
flat angles C4'-P-C4' energy: -55.488
flat angles P-C4'-P energy: -31.523
tors. eta vs tors. theta energy: -6.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -1156.251448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.251448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.251448 (E_RNA)
where:
Base-Base interactions energy: -822.981
where: short stacking energy: -344.625
Base-Backbone interact. energy: 4.957
local terms energy: -338.227208
where:
bonds (distance) C4'-P energy: -61.221
bonds (distance) P-C4' energy: -60.704
flat angles C4'-P-C4' energy: -72.688
flat angles P-C4'-P energy: -51.984
tors. eta vs tors. theta energy: -91.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -1130.066853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.066853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.066853 (E_RNA)
where:
Base-Base interactions energy: -778.042
where: short stacking energy: -334.872
Base-Backbone interact. energy: 0.593
local terms energy: -352.617607
where:
bonds (distance) C4'-P energy: -68.429
bonds (distance) P-C4' energy: -64.772
flat angles C4'-P-C4' energy: -77.962
flat angles P-C4'-P energy: -48.118
tors. eta vs tors. theta energy: -93.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -1085.481750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.481750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.481750 (E_RNA)
where:
Base-Base interactions energy: -747.947
where: short stacking energy: -311.729
Base-Backbone interact. energy: -2.554
local terms energy: -334.980976
where:
bonds (distance) C4'-P energy: -57.660
bonds (distance) P-C4' energy: -54.341
flat angles C4'-P-C4' energy: -74.089
flat angles P-C4'-P energy: -51.092
tors. eta vs tors. theta energy: -97.799
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: 2
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -983.263902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.263902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.263902 (E_RNA)
where:
Base-Base interactions energy: -681.066
where: short stacking energy: -286.060
Base-Backbone interact. energy: -1.718
local terms energy: -300.480006
where:
bonds (distance) C4'-P energy: -62.213
bonds (distance) P-C4' energy: -60.561
flat angles C4'-P-C4' energy: -70.089
flat angles P-C4'-P energy: -31.480
tors. eta vs tors. theta energy: -76.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -986.411354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.411354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.411354 (E_RNA)
where:
Base-Base interactions energy: -674.250
where: short stacking energy: -294.879
Base-Backbone interact. energy: -1.961
local terms energy: -310.199995
where:
bonds (distance) C4'-P energy: -62.023
bonds (distance) P-C4' energy: -58.367
flat angles C4'-P-C4' energy: -61.844
flat angles P-C4'-P energy: -50.546
tors. eta vs tors. theta energy: -77.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -865.305563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.305563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.305563 (E_RNA)
where:
Base-Base interactions energy: -589.007
where: short stacking energy: -266.140
Base-Backbone interact. energy: -0.956
local terms energy: -275.342570
where:
bonds (distance) C4'-P energy: -58.183
bonds (distance) P-C4' energy: -53.007
flat angles C4'-P-C4' energy: -55.216
flat angles P-C4'-P energy: -42.510
tors. eta vs tors. theta energy: -66.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -757.910454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.910454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.910454 (E_RNA)
where:
Base-Base interactions energy: -512.328
where: short stacking energy: -224.668
Base-Backbone interact. energy: -2.876
local terms energy: -242.707153
where:
bonds (distance) C4'-P energy: -55.761
bonds (distance) P-C4' energy: -50.864
flat angles C4'-P-C4' energy: -52.902
flat angles P-C4'-P energy: -33.798
tors. eta vs tors. theta energy: -49.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -662.528703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.528703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.528703 (E_RNA)
where:
Base-Base interactions energy: -408.133
where: short stacking energy: -189.633
Base-Backbone interact. energy: -0.409
local terms energy: -253.987271
where:
bonds (distance) C4'-P energy: -48.283
bonds (distance) P-C4' energy: -56.634
flat angles C4'-P-C4' energy: -62.467
flat angles P-C4'-P energy: -43.972
tors. eta vs tors. theta energy: -42.631
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: 5
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -402.137073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.137073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.137073 (E_RNA)
where:
Base-Base interactions energy: -215.316
where: short stacking energy: -130.713
Base-Backbone interact. energy: -1.583
local terms energy: -185.237664
where:
bonds (distance) C4'-P energy: -46.736
bonds (distance) P-C4' energy: -55.136
flat angles C4'-P-C4' energy: -50.778
flat angles P-C4'-P energy: -34.774
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: 10, replica: 7
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -349.980700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.980700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.980700 (E_RNA)
where:
Base-Base interactions energy: -140.968
where: short stacking energy: -85.927
Base-Backbone interact. energy: 1.672
local terms energy: -210.684129
where:
bonds (distance) C4'-P energy: -63.941
bonds (distance) P-C4' energy: -52.768
flat angles C4'-P-C4' energy: -54.903
flat angles P-C4'-P energy: -39.306
tors. eta vs tors. theta energy: 0.233
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: 8
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -1129.821024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.821024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.821024 (E_RNA)
where:
Base-Base interactions energy: -794.501
where: short stacking energy: -336.244
Base-Backbone interact. energy: 1.426
local terms energy: -336.745944
where:
bonds (distance) C4'-P energy: -58.686
bonds (distance) P-C4' energy: -70.037
flat angles C4'-P-C4' energy: -69.193
flat angles P-C4'-P energy: -51.247
tors. eta vs tors. theta energy: -87.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -1122.052633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.052633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.052633 (E_RNA)
where:
Base-Base interactions energy: -775.876
where: short stacking energy: -333.051
Base-Backbone interact. energy: -0.301
local terms energy: -345.875128
where:
bonds (distance) C4'-P energy: -67.648
bonds (distance) P-C4' energy: -52.605
flat angles C4'-P-C4' energy: -79.967
flat angles P-C4'-P energy: -49.310
tors. eta vs tors. theta energy: -96.345
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: 251
Temperature: 1.000000
Total energy: -1078.279365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.279365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.279365 (E_RNA)
where:
Base-Base interactions energy: -758.263
where: short stacking energy: -311.835
Base-Backbone interact. energy: -0.508
local terms energy: -319.508923
where:
bonds (distance) C4'-P energy: -59.985
bonds (distance) P-C4' energy: -55.050
flat angles C4'-P-C4' energy: -81.331
flat angles P-C4'-P energy: -38.005
tors. eta vs tors. theta energy: -85.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -990.177692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.177692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.177692 (E_RNA)
where:
Base-Base interactions energy: -673.577
where: short stacking energy: -276.769
Base-Backbone interact. energy: -2.451
local terms energy: -314.150495
where:
bonds (distance) C4'-P energy: -62.663
bonds (distance) P-C4' energy: -67.981
flat angles C4'-P-C4' energy: -65.221
flat angles P-C4'-P energy: -35.408
tors. eta vs tors. theta energy: -82.877
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: 4
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -970.782016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.782016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.782016 (E_RNA)
where:
Base-Base interactions energy: -671.144
where: short stacking energy: -301.519
Base-Backbone interact. energy: -0.241
local terms energy: -299.397267
where:
bonds (distance) C4'-P energy: -61.451
bonds (distance) P-C4' energy: -65.840
flat angles C4'-P-C4' energy: -64.067
flat angles P-C4'-P energy: -39.726
tors. eta vs tors. theta energy: -68.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -930.445633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.445633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.445633 (E_RNA)
where:
Base-Base interactions energy: -630.408
where: short stacking energy: -252.256
Base-Backbone interact. energy: -1.354
local terms energy: -298.683442
where:
bonds (distance) C4'-P energy: -59.450
bonds (distance) P-C4' energy: -59.072
flat angles C4'-P-C4' energy: -64.783
flat angles P-C4'-P energy: -49.598
tors. eta vs tors. theta energy: -65.780
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: 7, replica: 3
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -822.593840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.593840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.593840 (E_RNA)
where:
Base-Base interactions energy: -553.109
where: short stacking energy: -238.811
Base-Backbone interact. energy: -0.343
local terms energy: -269.142060
where:
bonds (distance) C4'-P energy: -45.108
bonds (distance) P-C4' energy: -51.706
flat angles C4'-P-C4' energy: -65.165
flat angles P-C4'-P energy: -42.269
tors. eta vs tors. theta energy: -64.893
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: 8, replica: 6
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -660.234866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.234866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.234866 (E_RNA)
where:
Base-Base interactions energy: -428.556
where: short stacking energy: -215.376
Base-Backbone interact. energy: 4.107
local terms energy: -235.785737
where:
bonds (distance) C4'-P energy: -58.631
bonds (distance) P-C4' energy: -46.036
flat angles C4'-P-C4' energy: -56.219
flat angles P-C4'-P energy: -33.331
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: 9, replica: 5
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -403.912008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.912008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.912008 (E_RNA)
where:
Base-Base interactions energy: -226.392
where: short stacking energy: -138.835
Base-Backbone interact. energy: 0.035
local terms energy: -177.554722
where:
bonds (distance) C4'-P energy: -50.891
bonds (distance) P-C4' energy: -55.729
flat angles C4'-P-C4' energy: -32.697
flat angles P-C4'-P energy: -21.086
tors. eta vs tors. theta energy: -17.152
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: 10, replica: 7
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -280.797868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.797868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.797868 (E_RNA)
where:
Base-Base interactions energy: -76.640
where: short stacking energy: -51.679
Base-Backbone interact. energy: -3.380
local terms energy: -200.777246
where:
bonds (distance) C4'-P energy: -56.368
bonds (distance) P-C4' energy: -72.403
flat angles C4'-P-C4' energy: -58.002
flat angles P-C4'-P energy: -25.990
tors. eta vs tors. theta energy: 11.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -1164.482439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.482439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.482439 (E_RNA)
where:
Base-Base interactions energy: -803.162
where: short stacking energy: -350.884
Base-Backbone interact. energy: -0.641
local terms energy: -360.679039
where:
bonds (distance) C4'-P energy: -74.683
bonds (distance) P-C4' energy: -63.723
flat angles C4'-P-C4' energy: -75.146
flat angles P-C4'-P energy: -51.218
tors. eta vs tors. theta energy: -95.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -1123.444356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.444356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.444356 (E_RNA)
where:
Base-Base interactions energy: -776.135
where: short stacking energy: -330.379
Base-Backbone interact. energy: -1.466
local terms energy: -345.842656
where:
bonds (distance) C4'-P energy: -67.250
bonds (distance) P-C4' energy: -66.557
flat angles C4'-P-C4' energy: -70.163
flat angles P-C4'-P energy: -51.819
tors. eta vs tors. theta energy: -90.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -1067.008361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.008361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.008361 (E_RNA)
where:
Base-Base interactions energy: -750.844
where: short stacking energy: -311.033
Base-Backbone interact. energy: -1.129
local terms energy: -315.034852
where:
bonds (distance) C4'-P energy: -58.595
bonds (distance) P-C4' energy: -72.739
flat angles C4'-P-C4' energy: -60.072
flat angles P-C4'-P energy: -37.580
tors. eta vs tors. theta energy: -86.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -996.321598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.321598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.321598 (E_RNA)
where:
Base-Base interactions energy: -685.452
where: short stacking energy: -305.821
Base-Backbone interact. energy: -2.643
local terms energy: -308.225673
where:
bonds (distance) C4'-P energy: -58.614
bonds (distance) P-C4' energy: -54.907
flat angles C4'-P-C4' energy: -69.103
flat angles P-C4'-P energy: -50.188
tors. eta vs tors. theta energy: -75.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -987.206519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.206519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.206519 (E_RNA)
where:
Base-Base interactions energy: -674.061
where: short stacking energy: -290.922
Base-Backbone interact. energy: -2.216
local terms energy: -310.929327
where:
bonds (distance) C4'-P energy: -62.533
bonds (distance) P-C4' energy: -65.131
flat angles C4'-P-C4' energy: -65.910
flat angles P-C4'-P energy: -41.657
tors. eta vs tors. theta energy: -75.698
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: 9
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -915.567115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.567115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.567115 (E_RNA)
where:
Base-Base interactions energy: -640.907
where: short stacking energy: -268.320
Base-Backbone interact. energy: 0.972
local terms energy: -275.631830
where:
bonds (distance) C4'-P energy: -49.800
bonds (distance) P-C4' energy: -62.166
flat angles C4'-P-C4' energy: -60.046
flat angles P-C4'-P energy: -39.708
tors. eta vs tors. theta energy: -63.912
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: 7, replica: 3
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -784.688051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.688051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.688051 (E_RNA)
where:
Base-Base interactions energy: -505.440
where: short stacking energy: -240.399
Base-Backbone interact. energy: -1.161
local terms energy: -278.086775
where:
bonds (distance) C4'-P energy: -62.865
bonds (distance) P-C4' energy: -57.410
flat angles C4'-P-C4' energy: -58.797
flat angles P-C4'-P energy: -42.872
tors. eta vs tors. theta energy: -56.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -718.573819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.573819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.573819 (E_RNA)
where:
Base-Base interactions energy: -449.476
where: short stacking energy: -209.915
Base-Backbone interact. energy: -1.630
local terms energy: -267.467159
where:
bonds (distance) C4'-P energy: -52.075
bonds (distance) P-C4' energy: -55.423
flat angles C4'-P-C4' energy: -59.918
flat angles P-C4'-P energy: -52.730
tors. eta vs tors. theta energy: -47.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -448.153997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.153997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.153997 (E_RNA)
where:
Base-Base interactions energy: -221.772
where: short stacking energy: -129.434
Base-Backbone interact. energy: -1.468
local terms energy: -224.914502
where:
bonds (distance) C4'-P energy: -58.615
bonds (distance) P-C4' energy: -54.920
flat angles C4'-P-C4' energy: -62.801
flat angles P-C4'-P energy: -26.884
tors. eta vs tors. theta energy: -21.695
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: 10, replica: 7
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -283.197562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.197562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.197562 (E_RNA)
where:
Base-Base interactions energy: -96.459
where: short stacking energy: -79.782
Base-Backbone interact. energy: -1.643
local terms energy: -185.096061
where:
bonds (distance) C4'-P energy: -51.567
bonds (distance) P-C4' energy: -57.514
flat angles C4'-P-C4' energy: -45.995
flat angles P-C4'-P energy: -37.934
tors. eta vs tors. theta energy: 7.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -1161.531998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.531998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.531998 (E_RNA)
where:
Base-Base interactions energy: -813.940
where: short stacking energy: -356.828
Base-Backbone interact. energy: -0.575
local terms energy: -347.017086
where:
bonds (distance) C4'-P energy: -56.502
bonds (distance) P-C4' energy: -66.292
flat angles C4'-P-C4' energy: -78.036
flat angles P-C4'-P energy: -53.143
tors. eta vs tors. theta energy: -93.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -1118.357961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.357961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.357961 (E_RNA)
where:
Base-Base interactions energy: -785.100
where: short stacking energy: -317.637
Base-Backbone interact. energy: 5.072
local terms energy: -338.330746
where:
bonds (distance) C4'-P energy: -59.669
bonds (distance) P-C4' energy: -64.952
flat angles C4'-P-C4' energy: -73.252
flat angles P-C4'-P energy: -52.289
tors. eta vs tors. theta energy: -88.168
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: 253
Temperature: 1.000000
Total energy: -1099.665526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.665526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.665526 (E_RNA)
where:
Base-Base interactions energy: -754.493
where: short stacking energy: -306.946
Base-Backbone interact. energy: -0.987
local terms energy: -344.185998
where:
bonds (distance) C4'-P energy: -65.744
bonds (distance) P-C4' energy: -61.988
flat angles C4'-P-C4' energy: -73.720
flat angles P-C4'-P energy: -51.310
tors. eta vs tors. theta energy: -91.425
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: 2
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -991.421398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.421398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.421398 (E_RNA)
where:
Base-Base interactions energy: -670.479
where: short stacking energy: -287.902
Base-Backbone interact. energy: 1.182
local terms energy: -322.124499
where:
bonds (distance) C4'-P energy: -62.856
bonds (distance) P-C4' energy: -66.207
flat angles C4'-P-C4' energy: -71.047
flat angles P-C4'-P energy: -39.578
tors. eta vs tors. theta energy: -82.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -1004.323168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.323168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.323168 (E_RNA)
where:
Base-Base interactions energy: -692.932
where: short stacking energy: -318.092
Base-Backbone interact. energy: -0.308
local terms energy: -311.082565
where:
bonds (distance) C4'-P energy: -46.010
bonds (distance) P-C4' energy: -63.175
flat angles C4'-P-C4' energy: -78.870
flat angles P-C4'-P energy: -36.787
tors. eta vs tors. theta energy: -86.241
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: 9
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -896.268600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.268600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.268600 (E_RNA)
where:
Base-Base interactions energy: -597.812
where: short stacking energy: -238.652
Base-Backbone interact. energy: -3.030
local terms energy: -295.426481
where:
bonds (distance) C4'-P energy: -53.381
bonds (distance) P-C4' energy: -62.853
flat angles C4'-P-C4' energy: -73.269
flat angles P-C4'-P energy: -46.309
tors. eta vs tors. theta energy: -59.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -798.258502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.258502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.258502 (E_RNA)
where:
Base-Base interactions energy: -528.321
where: short stacking energy: -228.394
Base-Backbone interact. energy: -0.645
local terms energy: -269.292212
where:
bonds (distance) C4'-P energy: -56.741
bonds (distance) P-C4' energy: -52.068
flat angles C4'-P-C4' energy: -64.583
flat angles P-C4'-P energy: -37.969
tors. eta vs tors. theta energy: -57.930
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: 6
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -676.852556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.852556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.852556 (E_RNA)
where:
Base-Base interactions energy: -451.861
where: short stacking energy: -196.821
Base-Backbone interact. energy: 1.470
local terms energy: -226.461140
where:
bonds (distance) C4'-P energy: -39.949
bonds (distance) P-C4' energy: -53.105
flat angles C4'-P-C4' energy: -54.145
flat angles P-C4'-P energy: -38.058
tors. eta vs tors. theta energy: -41.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -454.310662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.310662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.310662 (E_RNA)
where:
Base-Base interactions energy: -237.725
where: short stacking energy: -132.295
Base-Backbone interact. energy: 2.048
local terms energy: -218.633804
where:
bonds (distance) C4'-P energy: -53.356
bonds (distance) P-C4' energy: -50.007
flat angles C4'-P-C4' energy: -67.551
flat angles P-C4'-P energy: -33.455
tors. eta vs tors. theta energy: -14.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -307.620048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.620048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.620048 (E_RNA)
where:
Base-Base interactions energy: -120.448
where: short stacking energy: -103.850
Base-Backbone interact. energy: 0.480
local terms energy: -187.652455
where:
bonds (distance) C4'-P energy: -53.763
bonds (distance) P-C4' energy: -43.196
flat angles C4'-P-C4' energy: -48.649
flat angles P-C4'-P energy: -33.612
tors. eta vs tors. theta energy: -8.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -1167.662650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.662650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.662650 (E_RNA)
where:
Base-Base interactions energy: -811.995
where: short stacking energy: -355.920
Base-Backbone interact. energy: -1.616
local terms energy: -354.051777
where:
bonds (distance) C4'-P energy: -69.822
bonds (distance) P-C4' energy: -60.853
flat angles C4'-P-C4' energy: -71.802
flat angles P-C4'-P energy: -54.039
tors. eta vs tors. theta energy: -97.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -1128.907063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.907063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.907063 (E_RNA)
where:
Base-Base interactions energy: -763.684
where: short stacking energy: -322.967
Base-Backbone interact. energy: 4.842
local terms energy: -370.065152
where:
bonds (distance) C4'-P energy: -67.340
bonds (distance) P-C4' energy: -71.798
flat angles C4'-P-C4' energy: -78.274
flat angles P-C4'-P energy: -60.552
tors. eta vs tors. theta energy: -92.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -1086.087447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.087447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.087447 (E_RNA)
where:
Base-Base interactions energy: -745.650
where: short stacking energy: -311.250
Base-Backbone interact. energy: -3.134
local terms energy: -337.303806
where:
bonds (distance) C4'-P energy: -61.843
bonds (distance) P-C4' energy: -65.316
flat angles C4'-P-C4' energy: -65.868
flat angles P-C4'-P energy: -53.353
tors. eta vs tors. theta energy: -90.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -995.860935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.860935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.860935 (E_RNA)
where:
Base-Base interactions energy: -688.481
where: short stacking energy: -300.280
Base-Backbone interact. energy: -0.953
local terms energy: -306.426633
where:
bonds (distance) C4'-P energy: -55.411
bonds (distance) P-C4' energy: -60.879
flat angles C4'-P-C4' energy: -66.972
flat angles P-C4'-P energy: -49.220
tors. eta vs tors. theta energy: -73.946
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: 4
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -990.954423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.954423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.954423 (E_RNA)
where:
Base-Base interactions energy: -676.187
where: short stacking energy: -304.173
Base-Backbone interact. energy: 0.429
local terms energy: -315.196527
where:
bonds (distance) C4'-P energy: -60.862
bonds (distance) P-C4' energy: -63.690
flat angles C4'-P-C4' energy: -59.941
flat angles P-C4'-P energy: -44.971
tors. eta vs tors. theta energy: -85.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -912.500559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.500559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.500559 (E_RNA)
where:
Base-Base interactions energy: -629.024
where: short stacking energy: -281.473
Base-Backbone interact. energy: 1.975
local terms energy: -285.451608
where:
bonds (distance) C4'-P energy: -53.342
bonds (distance) P-C4' energy: -52.708
flat angles C4'-P-C4' energy: -62.252
flat angles P-C4'-P energy: -51.087
tors. eta vs tors. theta energy: -66.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -792.400635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.400635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.400635 (E_RNA)
where:
Base-Base interactions energy: -526.682
where: short stacking energy: -227.996
Base-Backbone interact. energy: 0.593
local terms energy: -266.312029
where:
bonds (distance) C4'-P energy: -50.600
bonds (distance) P-C4' energy: -68.423
flat angles C4'-P-C4' energy: -53.485
flat angles P-C4'-P energy: -33.922
tors. eta vs tors. theta energy: -59.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -721.733953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.733953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.733953 (E_RNA)
where:
Base-Base interactions energy: -464.808
where: short stacking energy: -216.567
Base-Backbone interact. energy: -0.888
local terms energy: -256.037527
where:
bonds (distance) C4'-P energy: -55.163
bonds (distance) P-C4' energy: -66.216
flat angles C4'-P-C4' energy: -64.971
flat angles P-C4'-P energy: -22.066
tors. eta vs tors. theta energy: -47.621
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: 9, replica: 5
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -466.827445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.827445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.827445 (E_RNA)
where:
Base-Base interactions energy: -238.579
where: short stacking energy: -152.500
Base-Backbone interact. energy: -0.939
local terms energy: -227.308869
where:
bonds (distance) C4'-P energy: -53.790
bonds (distance) P-C4' energy: -57.636
flat angles C4'-P-C4' energy: -53.036
flat angles P-C4'-P energy: -34.409
tors. eta vs tors. theta energy: -28.438
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: 7
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -273.926085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.926085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.926085 (E_RNA)
where:
Base-Base interactions energy: -89.737
where: short stacking energy: -81.477
Base-Backbone interact. energy: -1.375
local terms energy: -182.813918
where:
bonds (distance) C4'-P energy: -50.788
bonds (distance) P-C4' energy: -62.337
flat angles C4'-P-C4' energy: -42.883
flat angles P-C4'-P energy: -34.830
tors. eta vs tors. theta energy: 8.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -1161.999433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.999433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.999433 (E_RNA)
where:
Base-Base interactions energy: -811.134
where: short stacking energy: -350.998
Base-Backbone interact. energy: -0.621
local terms energy: -350.245041
where:
bonds (distance) C4'-P energy: -55.289
bonds (distance) P-C4' energy: -68.045
flat angles C4'-P-C4' energy: -80.951
flat angles P-C4'-P energy: -51.818
tors. eta vs tors. theta energy: -94.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -1123.446772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.446772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.446772 (E_RNA)
where:
Base-Base interactions energy: -784.896
where: short stacking energy: -325.507
Base-Backbone interact. energy: -1.264
local terms energy: -337.285949
where:
bonds (distance) C4'-P energy: -69.139
bonds (distance) P-C4' energy: -68.462
flat angles C4'-P-C4' energy: -68.494
flat angles P-C4'-P energy: -46.054
tors. eta vs tors. theta energy: -85.136
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: 255
Temperature: 1.000000
Total energy: -1080.898220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.898220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.898220 (E_RNA)
where:
Base-Base interactions energy: -756.073
where: short stacking energy: -321.949
Base-Backbone interact. energy: -0.840
local terms energy: -323.985136
where:
bonds (distance) C4'-P energy: -48.798
bonds (distance) P-C4' energy: -66.045
flat angles C4'-P-C4' energy: -75.891
flat angles P-C4'-P energy: -42.943
tors. eta vs tors. theta energy: -90.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -1015.021204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.021204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.021204 (E_RNA)
where:
Base-Base interactions energy: -692.284
where: short stacking energy: -304.639
Base-Backbone interact. energy: -2.292
local terms energy: -320.444713
where:
bonds (distance) C4'-P energy: -58.923
bonds (distance) P-C4' energy: -60.530
flat angles C4'-P-C4' energy: -69.616
flat angles P-C4'-P energy: -46.428
tors. eta vs tors. theta energy: -84.947
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: 5, replica: 2
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -966.452298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.452298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.452298 (E_RNA)
where:
Base-Base interactions energy: -672.528
where: short stacking energy: -266.888
Base-Backbone interact. energy: -0.686
local terms energy: -293.237889
where:
bonds (distance) C4'-P energy: -53.153
bonds (distance) P-C4' energy: -64.848
flat angles C4'-P-C4' energy: -64.712
flat angles P-C4'-P energy: -37.252
tors. eta vs tors. theta energy: -73.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -843.276338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.276338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.276338 (E_RNA)
where:
Base-Base interactions energy: -578.286
where: short stacking energy: -219.958
Base-Backbone interact. energy: 2.519
local terms energy: -267.508711
where:
bonds (distance) C4'-P energy: -53.390
bonds (distance) P-C4' energy: -59.956
flat angles C4'-P-C4' energy: -62.681
flat angles P-C4'-P energy: -42.587
tors. eta vs tors. theta energy: -48.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -833.306849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.306849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.306849 (E_RNA)
where:
Base-Base interactions energy: -543.744
where: short stacking energy: -255.205
Base-Backbone interact. energy: -0.255
local terms energy: -289.307767
where:
bonds (distance) C4'-P energy: -57.207
bonds (distance) P-C4' energy: -66.733
flat angles C4'-P-C4' energy: -62.378
flat angles P-C4'-P energy: -39.076
tors. eta vs tors. theta energy: -63.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -733.056653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.056653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.056653 (E_RNA)
where:
Base-Base interactions energy: -498.492
where: short stacking energy: -233.203
Base-Backbone interact. energy: -0.984
local terms energy: -233.580718
where:
bonds (distance) C4'-P energy: -55.928
bonds (distance) P-C4' energy: -50.932
flat angles C4'-P-C4' energy: -44.166
flat angles P-C4'-P energy: -30.663
tors. eta vs tors. theta energy: -51.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -434.632551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.632551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.632551 (E_RNA)
where:
Base-Base interactions energy: -218.804
where: short stacking energy: -124.677
Base-Backbone interact. energy: -0.339
local terms energy: -215.490396
where:
bonds (distance) C4'-P energy: -56.168
bonds (distance) P-C4' energy: -71.247
flat angles C4'-P-C4' energy: -51.164
flat angles P-C4'-P energy: -30.757
tors. eta vs tors. theta energy: -6.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -281.764940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.764940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.764940 (E_RNA)
where:
Base-Base interactions energy: -115.369
where: short stacking energy: -92.450
Base-Backbone interact. energy: 1.927
local terms energy: -168.322550
where:
bonds (distance) C4'-P energy: -51.862
bonds (distance) P-C4' energy: -55.571
flat angles C4'-P-C4' energy: -45.593
flat angles P-C4'-P energy: -29.358
tors. eta vs tors. theta energy: 14.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -1140.503498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.503498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.503498 (E_RNA)
where:
Base-Base interactions energy: -801.675
where: short stacking energy: -340.299
Base-Backbone interact. energy: -0.978
local terms energy: -337.850760
where:
bonds (distance) C4'-P energy: -61.457
bonds (distance) P-C4' energy: -62.209
flat angles C4'-P-C4' energy: -71.900
flat angles P-C4'-P energy: -45.769
tors. eta vs tors. theta energy: -96.515
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: 1
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -1138.818225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.818225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.818225 (E_RNA)
where:
Base-Base interactions energy: -781.496
where: short stacking energy: -349.560
Base-Backbone interact. energy: -0.516
local terms energy: -356.806129
where:
bonds (distance) C4'-P energy: -64.230
bonds (distance) P-C4' energy: -66.772
flat angles C4'-P-C4' energy: -72.492
flat angles P-C4'-P energy: -54.515
tors. eta vs tors. theta energy: -98.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -1110.713860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.713860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.713860 (E_RNA)
where:
Base-Base interactions energy: -744.384
where: short stacking energy: -330.532
Base-Backbone interact. energy: 0.088
local terms energy: -366.418123
where:
bonds (distance) C4'-P energy: -68.652
bonds (distance) P-C4' energy: -71.998
flat angles C4'-P-C4' energy: -75.740
flat angles P-C4'-P energy: -49.826
tors. eta vs tors. theta energy: -100.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -1021.464947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.464947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.464947 (E_RNA)
where:
Base-Base interactions energy: -703.251
where: short stacking energy: -315.130
Base-Backbone interact. energy: -0.953
local terms energy: -317.260722
where:
bonds (distance) C4'-P energy: -62.495
bonds (distance) P-C4' energy: -56.784
flat angles C4'-P-C4' energy: -71.988
flat angles P-C4'-P energy: -38.138
tors. eta vs tors. theta energy: -87.856
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: 2
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -969.981097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.981097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.981097 (E_RNA)
where:
Base-Base interactions energy: -647.773
where: short stacking energy: -268.375
Base-Backbone interact. energy: -0.399
local terms energy: -321.809508
where:
bonds (distance) C4'-P energy: -73.327
bonds (distance) P-C4' energy: -54.656
flat angles C4'-P-C4' energy: -64.086
flat angles P-C4'-P energy: -50.906
tors. eta vs tors. theta energy: -78.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -887.343196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.343196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.343196 (E_RNA)
where:
Base-Base interactions energy: -621.101
where: short stacking energy: -262.643
Base-Backbone interact. energy: -1.008
local terms energy: -265.234299
where:
bonds (distance) C4'-P energy: -54.672
bonds (distance) P-C4' energy: -54.738
flat angles C4'-P-C4' energy: -62.941
flat angles P-C4'-P energy: -27.819
tors. eta vs tors. theta energy: -65.065
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: 7, replica: 3
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -823.654322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.654322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.654322 (E_RNA)
where:
Base-Base interactions energy: -559.495
where: short stacking energy: -239.942
Base-Backbone interact. energy: -0.524
local terms energy: -263.635270
where:
bonds (distance) C4'-P energy: -52.578
bonds (distance) P-C4' energy: -49.174
flat angles C4'-P-C4' energy: -59.751
flat angles P-C4'-P energy: -37.154
tors. eta vs tors. theta energy: -64.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -728.325113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.325113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.325113 (E_RNA)
where:
Base-Base interactions energy: -478.781
where: short stacking energy: -214.142
Base-Backbone interact. energy: -0.509
local terms energy: -249.034327
where:
bonds (distance) C4'-P energy: -44.652
bonds (distance) P-C4' energy: -61.033
flat angles C4'-P-C4' energy: -53.351
flat angles P-C4'-P energy: -44.604
tors. eta vs tors. theta energy: -45.395
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: 5
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -454.394545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.394545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.394545 (E_RNA)
where:
Base-Base interactions energy: -246.272
where: short stacking energy: -144.627
Base-Backbone interact. energy: -0.436
local terms energy: -207.686546
where:
bonds (distance) C4'-P energy: -63.180
bonds (distance) P-C4' energy: -49.450
flat angles C4'-P-C4' energy: -64.204
flat angles P-C4'-P energy: -17.640
tors. eta vs tors. theta energy: -13.212
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: 7
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -283.496655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.496655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.496655 (E_RNA)
where:
Base-Base interactions energy: -99.170
where: short stacking energy: -78.946
Base-Backbone interact. energy: -1.789
local terms energy: -182.537024
where:
bonds (distance) C4'-P energy: -48.666
bonds (distance) P-C4' energy: -57.935
flat angles C4'-P-C4' energy: -50.130
flat angles P-C4'-P energy: -32.056
tors. eta vs tors. theta energy: 6.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -1139.944188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.944188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.944188 (E_RNA)
where:
Base-Base interactions energy: -788.171
where: short stacking energy: -333.167
Base-Backbone interact. energy: 5.578
local terms energy: -357.351531
where:
bonds (distance) C4'-P energy: -64.177
bonds (distance) P-C4' energy: -61.776
flat angles C4'-P-C4' energy: -76.676
flat angles P-C4'-P energy: -59.582
tors. eta vs tors. theta energy: -95.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -1141.607419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.607419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.607419 (E_RNA)
where:
Base-Base interactions energy: -790.290
where: short stacking energy: -350.176
Base-Backbone interact. energy: -0.773
local terms energy: -350.544556
where:
bonds (distance) C4'-P energy: -63.133
bonds (distance) P-C4' energy: -69.207
flat angles C4'-P-C4' energy: -73.482
flat angles P-C4'-P energy: -41.836
tors. eta vs tors. theta energy: -102.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -1077.670662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.670662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.670662 (E_RNA)
where:
Base-Base interactions energy: -741.211
where: short stacking energy: -318.888
Base-Backbone interact. energy: 0.267
local terms energy: -336.726937
where:
bonds (distance) C4'-P energy: -63.630
bonds (distance) P-C4' energy: -68.746
flat angles C4'-P-C4' energy: -68.017
flat angles P-C4'-P energy: -44.961
tors. eta vs tors. theta energy: -91.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -1011.004001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.004001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.004001 (E_RNA)
where:
Base-Base interactions energy: -682.587
where: short stacking energy: -308.911
Base-Backbone interact. energy: -1.756
local terms energy: -326.661129
where:
bonds (distance) C4'-P energy: -55.996
bonds (distance) P-C4' energy: -67.620
flat angles C4'-P-C4' energy: -66.275
flat angles P-C4'-P energy: -43.808
tors. eta vs tors. theta energy: -92.963
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: 2
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -983.257626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.257626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.257626 (E_RNA)
where:
Base-Base interactions energy: -676.529
where: short stacking energy: -295.116
Base-Backbone interact. energy: -0.804
local terms energy: -305.924992
where:
bonds (distance) C4'-P energy: -50.855
bonds (distance) P-C4' energy: -50.927
flat angles C4'-P-C4' energy: -72.885
flat angles P-C4'-P energy: -48.508
tors. eta vs tors. theta energy: -82.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -928.290401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.290401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.290401 (E_RNA)
where:
Base-Base interactions energy: -618.858
where: short stacking energy: -273.409
Base-Backbone interact. energy: -1.804
local terms energy: -307.628195
where:
bonds (distance) C4'-P energy: -67.839
bonds (distance) P-C4' energy: -61.429
flat angles C4'-P-C4' energy: -66.224
flat angles P-C4'-P energy: -39.597
tors. eta vs tors. theta energy: -72.538
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: 3
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -849.458189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.458189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.458189 (E_RNA)
where:
Base-Base interactions energy: -571.840
where: short stacking energy: -252.273
Base-Backbone interact. energy: -0.351
local terms energy: -277.266308
where:
bonds (distance) C4'-P energy: -56.334
bonds (distance) P-C4' energy: -57.615
flat angles C4'-P-C4' energy: -64.890
flat angles P-C4'-P energy: -34.064
tors. eta vs tors. theta energy: -64.364
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: 8, replica: 6
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -739.136464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.136464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.136464 (E_RNA)
where:
Base-Base interactions energy: -486.450
where: short stacking energy: -218.894
Base-Backbone interact. energy: -0.520
local terms energy: -252.166697
where:
bonds (distance) C4'-P energy: -51.584
bonds (distance) P-C4' energy: -64.419
flat angles C4'-P-C4' energy: -48.509
flat angles P-C4'-P energy: -39.011
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: 9, replica: 5
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -419.323622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.323622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.323622 (E_RNA)
where:
Base-Base interactions energy: -216.546
where: short stacking energy: -126.741
Base-Backbone interact. energy: -0.773
local terms energy: -202.003861
where:
bonds (distance) C4'-P energy: -62.894
bonds (distance) P-C4' energy: -53.252
flat angles C4'-P-C4' energy: -52.717
flat angles P-C4'-P energy: -20.171
tors. eta vs tors. theta energy: -12.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -289.302512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.302512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.302512 (E_RNA)
where:
Base-Base interactions energy: -112.270
where: short stacking energy: -96.718
Base-Backbone interact. energy: 4.784
local terms energy: -181.816201
where:
bonds (distance) C4'-P energy: -51.479
bonds (distance) P-C4' energy: -58.242
flat angles C4'-P-C4' energy: -47.259
flat angles P-C4'-P energy: -28.819
tors. eta vs tors. theta energy: 3.983
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: 1, replica: 8
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -1129.527960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.527960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.527960 (E_RNA)
where:
Base-Base interactions energy: -799.766
where: short stacking energy: -322.114
Base-Backbone interact. energy: 7.091
local terms energy: -336.853098
where:
bonds (distance) C4'-P energy: -56.084
bonds (distance) P-C4' energy: -69.842
flat angles C4'-P-C4' energy: -73.292
flat angles P-C4'-P energy: -48.691
tors. eta vs tors. theta energy: -88.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -1152.707607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.707607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.707607 (E_RNA)
where:
Base-Base interactions energy: -790.873
where: short stacking energy: -348.828
Base-Backbone interact. energy: -1.373
local terms energy: -360.461762
where:
bonds (distance) C4'-P energy: -60.090
bonds (distance) P-C4' energy: -71.486
flat angles C4'-P-C4' energy: -73.410
flat angles P-C4'-P energy: -57.738
tors. eta vs tors. theta energy: -97.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -1081.286013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.286013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.286013 (E_RNA)
where:
Base-Base interactions energy: -738.130
where: short stacking energy: -323.362
Base-Backbone interact. energy: -1.994
local terms energy: -341.161621
where:
bonds (distance) C4'-P energy: -61.721
bonds (distance) P-C4' energy: -75.338
flat angles C4'-P-C4' energy: -73.003
flat angles P-C4'-P energy: -39.105
tors. eta vs tors. theta energy: -91.995
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: 4, replica: 4
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -1008.341166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.341166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.341166 (E_RNA)
where:
Base-Base interactions energy: -686.077
where: short stacking energy: -306.780
Base-Backbone interact. energy: 0.241
local terms energy: -322.504859
where:
bonds (distance) C4'-P energy: -56.078
bonds (distance) P-C4' energy: -63.852
flat angles C4'-P-C4' energy: -69.255
flat angles P-C4'-P energy: -50.903
tors. eta vs tors. theta energy: -82.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -996.356376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.356376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.356376 (E_RNA)
where:
Base-Base interactions energy: -679.762
where: short stacking energy: -301.479
Base-Backbone interact. energy: -1.143
local terms energy: -315.451364
where:
bonds (distance) C4'-P energy: -57.267
bonds (distance) P-C4' energy: -60.397
flat angles C4'-P-C4' energy: -68.911
flat angles P-C4'-P energy: -49.183
tors. eta vs tors. theta energy: -79.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -893.774354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.774354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.774354 (E_RNA)
where:
Base-Base interactions energy: -576.793
where: short stacking energy: -264.897
Base-Backbone interact. energy: -0.089
local terms energy: -316.892672
where:
bonds (distance) C4'-P energy: -62.636
bonds (distance) P-C4' energy: -61.947
flat angles C4'-P-C4' energy: -63.092
flat angles P-C4'-P energy: -55.448
tors. eta vs tors. theta energy: -73.770
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: 3
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -814.478521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.478521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.478521 (E_RNA)
where:
Base-Base interactions energy: -550.806
where: short stacking energy: -247.057
Base-Backbone interact. energy: 3.417
local terms energy: -267.089565
where:
bonds (distance) C4'-P energy: -48.462
bonds (distance) P-C4' energy: -57.849
flat angles C4'-P-C4' energy: -62.106
flat angles P-C4'-P energy: -39.524
tors. eta vs tors. theta energy: -59.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -752.074482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.074482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.074482 (E_RNA)
where:
Base-Base interactions energy: -500.393
where: short stacking energy: -216.061
Base-Backbone interact. energy: 0.212
local terms energy: -251.893811
where:
bonds (distance) C4'-P energy: -56.592
bonds (distance) P-C4' energy: -55.610
flat angles C4'-P-C4' energy: -63.420
flat angles P-C4'-P energy: -28.382
tors. eta vs tors. theta energy: -47.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -404.367627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.367627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.367627 (E_RNA)
where:
Base-Base interactions energy: -196.276
where: short stacking energy: -111.753
Base-Backbone interact. energy: 1.110
local terms energy: -209.201170
where:
bonds (distance) C4'-P energy: -60.586
bonds (distance) P-C4' energy: -58.433
flat angles C4'-P-C4' energy: -58.010
flat angles P-C4'-P energy: -31.688
tors. eta vs tors. theta energy: -0.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -277.479019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.479019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.479019 (E_RNA)
where:
Base-Base interactions energy: -95.232
where: short stacking energy: -77.987
Base-Backbone interact. energy: -1.952
local terms energy: -180.294524
where:
bonds (distance) C4'-P energy: -60.043
bonds (distance) P-C4' energy: -45.742
flat angles C4'-P-C4' energy: -57.497
flat angles P-C4'-P energy: -31.311
tors. eta vs tors. theta energy: 14.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -1157.748042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.748042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.748042 (E_RNA)
where:
Base-Base interactions energy: -802.308
where: short stacking energy: -344.493
Base-Backbone interact. energy: -0.136
local terms energy: -355.303918
where:
bonds (distance) C4'-P energy: -68.072
bonds (distance) P-C4' energy: -62.992
flat angles C4'-P-C4' energy: -71.076
flat angles P-C4'-P energy: -50.027
tors. eta vs tors. theta energy: -103.137
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: 2, replica: 1
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -1148.402442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.402442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.402442 (E_RNA)
where:
Base-Base interactions energy: -790.343
where: short stacking energy: -351.744
Base-Backbone interact. energy: -3.538
local terms energy: -354.521904
where:
bonds (distance) C4'-P energy: -62.111
bonds (distance) P-C4' energy: -72.460
flat angles C4'-P-C4' energy: -72.027
flat angles P-C4'-P energy: -47.391
tors. eta vs tors. theta energy: -100.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -1082.607002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.607002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.607002 (E_RNA)
where:
Base-Base interactions energy: -747.111
where: short stacking energy: -331.888
Base-Backbone interact. energy: -1.478
local terms energy: -334.018283
where:
bonds (distance) C4'-P energy: -64.005
bonds (distance) P-C4' energy: -51.379
flat angles C4'-P-C4' energy: -79.085
flat angles P-C4'-P energy: -45.038
tors. eta vs tors. theta energy: -94.512
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: 4
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -1005.806396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.806396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.806396 (E_RNA)
where:
Base-Base interactions energy: -669.211
where: short stacking energy: -306.527
Base-Backbone interact. energy: -1.437
local terms energy: -335.158608
where:
bonds (distance) C4'-P energy: -65.730
bonds (distance) P-C4' energy: -69.618
flat angles C4'-P-C4' energy: -65.450
flat angles P-C4'-P energy: -49.443
tors. eta vs tors. theta energy: -84.918
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: 5, replica: 2
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -992.989408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.989408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.989408 (E_RNA)
where:
Base-Base interactions energy: -669.888
where: short stacking energy: -309.177
Base-Backbone interact. energy: -1.223
local terms energy: -321.878872
where:
bonds (distance) C4'-P energy: -60.041
bonds (distance) P-C4' energy: -61.413
flat angles C4'-P-C4' energy: -69.590
flat angles P-C4'-P energy: -43.095
tors. eta vs tors. theta energy: -87.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -875.032538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.032538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.032538 (E_RNA)
where:
Base-Base interactions energy: -574.437
where: short stacking energy: -267.288
Base-Backbone interact. energy: -1.102
local terms energy: -299.493073
where:
bonds (distance) C4'-P energy: -61.988
bonds (distance) P-C4' energy: -62.753
flat angles C4'-P-C4' energy: -63.321
flat angles P-C4'-P energy: -32.782
tors. eta vs tors. theta energy: -78.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -871.036009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.036009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.036009 (E_RNA)
where:
Base-Base interactions energy: -589.202
where: short stacking energy: -254.872
Base-Backbone interact. energy: -0.758
local terms energy: -281.076036
where:
bonds (distance) C4'-P energy: -54.756
bonds (distance) P-C4' energy: -58.756
flat angles C4'-P-C4' energy: -57.284
flat angles P-C4'-P energy: -41.437
tors. eta vs tors. theta energy: -68.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -750.324513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.324513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.324513 (E_RNA)
where:
Base-Base interactions energy: -508.534
where: short stacking energy: -218.308
Base-Backbone interact. energy: 4.465
local terms energy: -246.255775
where:
bonds (distance) C4'-P energy: -46.266
bonds (distance) P-C4' energy: -58.199
flat angles C4'-P-C4' energy: -64.283
flat angles P-C4'-P energy: -33.480
tors. eta vs tors. theta energy: -44.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -402.566685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.566685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.566685 (E_RNA)
where:
Base-Base interactions energy: -237.022
where: short stacking energy: -118.633
Base-Backbone interact. energy: -1.568
local terms energy: -163.976903
where:
bonds (distance) C4'-P energy: -56.747
bonds (distance) P-C4' energy: -35.680
flat angles C4'-P-C4' energy: -51.969
flat angles P-C4'-P energy: -21.311
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: 10, replica: 7
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -307.474321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.474321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.474321 (E_RNA)
where:
Base-Base interactions energy: -113.984
where: short stacking energy: -110.748
Base-Backbone interact. energy: -0.564
local terms energy: -192.926578
where:
bonds (distance) C4'-P energy: -52.669
bonds (distance) P-C4' energy: -53.247
flat angles C4'-P-C4' energy: -41.164
flat angles P-C4'-P energy: -40.250
tors. eta vs tors. theta energy: -5.596
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: 1, replica: 1
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -1183.609849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.609849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.609849 (E_RNA)
where:
Base-Base interactions energy: -817.109
where: short stacking energy: -357.861
Base-Backbone interact. energy: -1.977
local terms energy: -364.523853
where:
bonds (distance) C4'-P energy: -69.334
bonds (distance) P-C4' energy: -70.765
flat angles C4'-P-C4' energy: -74.248
flat angles P-C4'-P energy: -52.228
tors. eta vs tors. theta energy: -97.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -1130.414126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.414126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.414126 (E_RNA)
where:
Base-Base interactions energy: -812.192
where: short stacking energy: -335.744
Base-Backbone interact. energy: 8.186
local terms energy: -326.407619
where:
bonds (distance) C4'-P energy: -56.233
bonds (distance) P-C4' energy: -62.370
flat angles C4'-P-C4' energy: -69.983
flat angles P-C4'-P energy: -51.425
tors. eta vs tors. theta energy: -86.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -1057.558018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.558018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.558018 (E_RNA)
where:
Base-Base interactions energy: -728.780
where: short stacking energy: -316.474
Base-Backbone interact. energy: -1.316
local terms energy: -327.461955
where:
bonds (distance) C4'-P energy: -60.914
bonds (distance) P-C4' energy: -62.769
flat angles C4'-P-C4' energy: -73.376
flat angles P-C4'-P energy: -42.341
tors. eta vs tors. theta energy: -88.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -1021.803588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.803588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.803588 (E_RNA)
where:
Base-Base interactions energy: -701.791
where: short stacking energy: -297.990
Base-Backbone interact. energy: 2.036
local terms energy: -322.047877
where:
bonds (distance) C4'-P energy: -54.714
bonds (distance) P-C4' energy: -63.800
flat angles C4'-P-C4' energy: -72.189
flat angles P-C4'-P energy: -45.334
tors. eta vs tors. theta energy: -86.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -896.606069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.606069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.606069 (E_RNA)
where:
Base-Base interactions energy: -605.121
where: short stacking energy: -275.813
Base-Backbone interact. energy: 0.341
local terms energy: -291.825973
where:
bonds (distance) C4'-P energy: -65.772
bonds (distance) P-C4' energy: -52.053
flat angles C4'-P-C4' energy: -65.275
flat angles P-C4'-P energy: -34.965
tors. eta vs tors. theta energy: -73.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -928.905562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.905562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.905562 (E_RNA)
where:
Base-Base interactions energy: -651.392
where: short stacking energy: -278.216
Base-Backbone interact. energy: -0.940
local terms energy: -276.573553
where:
bonds (distance) C4'-P energy: -53.484
bonds (distance) P-C4' energy: -49.114
flat angles C4'-P-C4' energy: -67.620
flat angles P-C4'-P energy: -36.379
tors. eta vs tors. theta energy: -69.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -828.249237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.249237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.249237 (E_RNA)
where:
Base-Base interactions energy: -563.808
where: short stacking energy: -256.950
Base-Backbone interact. energy: -2.567
local terms energy: -261.874520
where:
bonds (distance) C4'-P energy: -53.795
bonds (distance) P-C4' energy: -59.232
flat angles C4'-P-C4' energy: -50.566
flat angles P-C4'-P energy: -43.602
tors. eta vs tors. theta energy: -54.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -742.635864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.635864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.635864 (E_RNA)
where:
Base-Base interactions energy: -505.975
where: short stacking energy: -220.452
Base-Backbone interact. energy: 0.966
local terms energy: -237.626786
where:
bonds (distance) C4'-P energy: -36.884
bonds (distance) P-C4' energy: -61.362
flat angles C4'-P-C4' energy: -53.629
flat angles P-C4'-P energy: -34.259
tors. eta vs tors. theta energy: -51.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -482.123673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.123673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.123673 (E_RNA)
where:
Base-Base interactions energy: -299.461
where: short stacking energy: -141.147
Base-Backbone interact. energy: 0.330
local terms energy: -182.992459
where:
bonds (distance) C4'-P energy: -47.439
bonds (distance) P-C4' energy: -46.862
flat angles C4'-P-C4' energy: -44.666
flat angles P-C4'-P energy: -36.535
tors. eta vs tors. theta energy: -7.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -336.787268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.787268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.787268 (E_RNA)
where:
Base-Base interactions energy: -153.209
where: short stacking energy: -98.816
Base-Backbone interact. energy: -0.799
local terms energy: -182.779008
where:
bonds (distance) C4'-P energy: -42.163
bonds (distance) P-C4' energy: -54.986
flat angles C4'-P-C4' energy: -52.050
flat angles P-C4'-P energy: -30.510
tors. eta vs tors. theta energy: -3.071
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: 1, replica: 1
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -1192.567819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.567819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.567819 (E_RNA)
where:
Base-Base interactions energy: -825.138
where: short stacking energy: -375.973
Base-Backbone interact. energy: -0.468
local terms energy: -366.961803
where:
bonds (distance) C4'-P energy: -70.143
bonds (distance) P-C4' energy: -65.259
flat angles C4'-P-C4' energy: -75.750
flat angles P-C4'-P energy: -50.566
tors. eta vs tors. theta energy: -105.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -1129.978319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.978319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.978319 (E_RNA)
where:
Base-Base interactions energy: -783.181
where: short stacking energy: -310.331
Base-Backbone interact. energy: 4.844
local terms energy: -351.641878
where:
bonds (distance) C4'-P energy: -63.755
bonds (distance) P-C4' energy: -65.377
flat angles C4'-P-C4' energy: -79.004
flat angles P-C4'-P energy: -52.537
tors. eta vs tors. theta energy: -90.970
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: 3, replica: 10
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -1081.632557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.632557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.632557 (E_RNA)
where:
Base-Base interactions energy: -748.088
where: short stacking energy: -336.934
Base-Backbone interact. energy: -1.239
local terms energy: -332.305695
where:
bonds (distance) C4'-P energy: -64.278
bonds (distance) P-C4' energy: -61.490
flat angles C4'-P-C4' energy: -69.560
flat angles P-C4'-P energy: -46.527
tors. eta vs tors. theta energy: -90.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -1020.684307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.684307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.684307 (E_RNA)
where:
Base-Base interactions energy: -703.164
where: short stacking energy: -309.677
Base-Backbone interact. energy: -1.592
local terms energy: -315.928881
where:
bonds (distance) C4'-P energy: -59.718
bonds (distance) P-C4' energy: -58.149
flat angles C4'-P-C4' energy: -71.154
flat angles P-C4'-P energy: -51.690
tors. eta vs tors. theta energy: -75.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -900.790302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.790302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.790302 (E_RNA)
where:
Base-Base interactions energy: -596.188
where: short stacking energy: -263.975
Base-Backbone interact. energy: -1.789
local terms energy: -302.813783
where:
bonds (distance) C4'-P energy: -55.641
bonds (distance) P-C4' energy: -64.910
flat angles C4'-P-C4' energy: -65.520
flat angles P-C4'-P energy: -47.536
tors. eta vs tors. theta energy: -69.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -870.323593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.323593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.323593 (E_RNA)
where:
Base-Base interactions energy: -591.325
where: short stacking energy: -252.402
Base-Backbone interact. energy: 3.741
local terms energy: -282.738910
where:
bonds (distance) C4'-P energy: -54.200
bonds (distance) P-C4' energy: -68.134
flat angles C4'-P-C4' energy: -62.045
flat angles P-C4'-P energy: -38.666
tors. eta vs tors. theta energy: -59.693
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: 2
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -908.127605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.127605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.127605 (E_RNA)
where:
Base-Base interactions energy: -610.781
where: short stacking energy: -264.799
Base-Backbone interact. energy: -0.721
local terms energy: -296.625748
where:
bonds (distance) C4'-P energy: -60.519
bonds (distance) P-C4' energy: -60.574
flat angles C4'-P-C4' energy: -58.666
flat angles P-C4'-P energy: -43.105
tors. eta vs tors. theta energy: -73.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -738.190014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.190014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.190014 (E_RNA)
where:
Base-Base interactions energy: -489.513
where: short stacking energy: -211.240
Base-Backbone interact. energy: -0.225
local terms energy: -248.452367
where:
bonds (distance) C4'-P energy: -45.803
bonds (distance) P-C4' energy: -58.774
flat angles C4'-P-C4' energy: -52.930
flat angles P-C4'-P energy: -42.497
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: 9, replica: 5
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -440.786649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.786649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.786649 (E_RNA)
where:
Base-Base interactions energy: -260.672
where: short stacking energy: -149.969
Base-Backbone interact. energy: -0.592
local terms energy: -179.523003
where:
bonds (distance) C4'-P energy: -23.642
bonds (distance) P-C4' energy: -58.898
flat angles C4'-P-C4' energy: -54.871
flat angles P-C4'-P energy: -33.795
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: 10, replica: 7
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -371.921073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.921073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.921073 (E_RNA)
where:
Base-Base interactions energy: -183.618
where: short stacking energy: -87.356
Base-Backbone interact. energy: 0.252
local terms energy: -188.554760
where:
bonds (distance) C4'-P energy: -56.026
bonds (distance) P-C4' energy: -57.284
flat angles C4'-P-C4' energy: -41.208
flat angles P-C4'-P energy: -28.290
tors. eta vs tors. theta energy: -5.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -1165.650303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.650303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.650303 (E_RNA)
where:
Base-Base interactions energy: -810.123
where: short stacking energy: -359.600
Base-Backbone interact. energy: 3.101
local terms energy: -358.628371
where:
bonds (distance) C4'-P energy: -70.800
bonds (distance) P-C4' energy: -67.205
flat angles C4'-P-C4' energy: -71.743
flat angles P-C4'-P energy: -48.714
tors. eta vs tors. theta energy: -100.167
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: 8
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -1113.545600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.545600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.545600 (E_RNA)
where:
Base-Base interactions energy: -792.266
where: short stacking energy: -321.741
Base-Backbone interact. energy: 6.506
local terms energy: -327.785874
where:
bonds (distance) C4'-P energy: -63.390
bonds (distance) P-C4' energy: -66.913
flat angles C4'-P-C4' energy: -66.354
flat angles P-C4'-P energy: -46.329
tors. eta vs tors. theta energy: -84.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -1080.222827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.222827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.222827 (E_RNA)
where:
Base-Base interactions energy: -727.891
where: short stacking energy: -315.727
Base-Backbone interact. energy: -0.426
local terms energy: -351.905931
where:
bonds (distance) C4'-P energy: -67.162
bonds (distance) P-C4' energy: -58.526
flat angles C4'-P-C4' energy: -78.325
flat angles P-C4'-P energy: -49.144
tors. eta vs tors. theta energy: -98.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -1048.177608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.177608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.177608 (E_RNA)
where:
Base-Base interactions energy: -718.322
where: short stacking energy: -320.266
Base-Backbone interact. energy: -0.353
local terms energy: -329.502519
where:
bonds (distance) C4'-P energy: -71.258
bonds (distance) P-C4' energy: -57.796
flat angles C4'-P-C4' energy: -57.764
flat angles P-C4'-P energy: -45.620
tors. eta vs tors. theta energy: -97.065
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: 3
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -919.817845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.817845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.817845 (E_RNA)
where:
Base-Base interactions energy: -611.521
where: short stacking energy: -281.098
Base-Backbone interact. energy: -0.754
local terms energy: -307.543249
where:
bonds (distance) C4'-P energy: -62.778
bonds (distance) P-C4' energy: -65.976
flat angles C4'-P-C4' energy: -61.749
flat angles P-C4'-P energy: -41.063
tors. eta vs tors. theta energy: -75.978
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: 9
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -849.957311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.957311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.957311 (E_RNA)
where:
Base-Base interactions energy: -589.591
where: short stacking energy: -254.562
Base-Backbone interact. energy: -0.666
local terms energy: -259.700668
where:
bonds (distance) C4'-P energy: -44.049
bonds (distance) P-C4' energy: -57.044
flat angles C4'-P-C4' energy: -56.975
flat angles P-C4'-P energy: -45.890
tors. eta vs tors. theta energy: -55.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -893.342725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.342725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.342725 (E_RNA)
where:
Base-Base interactions energy: -610.722
where: short stacking energy: -251.745
Base-Backbone interact. energy: 0.630
local terms energy: -283.250804
where:
bonds (distance) C4'-P energy: -51.501
bonds (distance) P-C4' energy: -57.892
flat angles C4'-P-C4' energy: -67.583
flat angles P-C4'-P energy: -41.711
tors. eta vs tors. theta energy: -64.564
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: 6
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -722.565171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.565171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.565171 (E_RNA)
where:
Base-Base interactions energy: -479.756
where: short stacking energy: -208.854
Base-Backbone interact. energy: 0.985
local terms energy: -243.794678
where:
bonds (distance) C4'-P energy: -63.719
bonds (distance) P-C4' energy: -49.363
flat angles C4'-P-C4' energy: -67.172
flat angles P-C4'-P energy: -22.649
tors. eta vs tors. theta energy: -40.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -455.510756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.510756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.510756 (E_RNA)
where:
Base-Base interactions energy: -238.812
where: short stacking energy: -136.529
Base-Backbone interact. energy: -0.815
local terms energy: -215.884667
where:
bonds (distance) C4'-P energy: -56.632
bonds (distance) P-C4' energy: -58.733
flat angles C4'-P-C4' energy: -59.458
flat angles P-C4'-P energy: -25.033
tors. eta vs tors. theta energy: -16.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -343.407250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.407250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.407250 (E_RNA)
where:
Base-Base interactions energy: -167.897
where: short stacking energy: -91.910
Base-Backbone interact. energy: 0.184
local terms energy: -175.694130
where:
bonds (distance) C4'-P energy: -50.796
bonds (distance) P-C4' energy: -62.472
flat angles C4'-P-C4' energy: -44.730
flat angles P-C4'-P energy: -17.341
tors. eta vs tors. theta energy: -0.355
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: 1
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -1154.841517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.841517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.841517 (E_RNA)
where:
Base-Base interactions energy: -794.326
where: short stacking energy: -355.288
Base-Backbone interact. energy: -0.753
local terms energy: -359.762361
where:
bonds (distance) C4'-P energy: -61.082
bonds (distance) P-C4' energy: -63.731
flat angles C4'-P-C4' energy: -71.885
flat angles P-C4'-P energy: -56.676
tors. eta vs tors. theta energy: -106.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -1120.158579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.158579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.158579 (E_RNA)
where:
Base-Base interactions energy: -793.213
where: short stacking energy: -332.224
Base-Backbone interact. energy: 5.555
local terms energy: -332.500635
where:
bonds (distance) C4'-P energy: -63.065
bonds (distance) P-C4' energy: -69.332
flat angles C4'-P-C4' energy: -70.476
flat angles P-C4'-P energy: -53.939
tors. eta vs tors. theta energy: -75.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -1064.140423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.140423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.140423 (E_RNA)
where:
Base-Base interactions energy: -735.944
where: short stacking energy: -328.334
Base-Backbone interact. energy: -0.642
local terms energy: -327.554862
where:
bonds (distance) C4'-P energy: -52.006
bonds (distance) P-C4' energy: -64.108
flat angles C4'-P-C4' energy: -74.160
flat angles P-C4'-P energy: -52.321
tors. eta vs tors. theta energy: -84.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -1022.273529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.273529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.273529 (E_RNA)
where:
Base-Base interactions energy: -672.370
where: short stacking energy: -299.084
Base-Backbone interact. energy: -0.956
local terms energy: -348.948294
where:
bonds (distance) C4'-P energy: -60.405
bonds (distance) P-C4' energy: -67.683
flat angles C4'-P-C4' energy: -75.636
flat angles P-C4'-P energy: -52.784
tors. eta vs tors. theta energy: -92.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -890.372625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.372625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.372625 (E_RNA)
where:
Base-Base interactions energy: -603.813
where: short stacking energy: -255.287
Base-Backbone interact. energy: -0.230
local terms energy: -286.329531
where:
bonds (distance) C4'-P energy: -57.737
bonds (distance) P-C4' energy: -55.563
flat angles C4'-P-C4' energy: -68.014
flat angles P-C4'-P energy: -37.045
tors. eta vs tors. theta energy: -67.970
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: 2
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -930.036468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.036468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.036468 (E_RNA)
where:
Base-Base interactions energy: -643.696
where: short stacking energy: -282.228
Base-Backbone interact. energy: -1.849
local terms energy: -284.491556
where:
bonds (distance) C4'-P energy: -56.050
bonds (distance) P-C4' energy: -64.791
flat angles C4'-P-C4' energy: -59.465
flat angles P-C4'-P energy: -32.471
tors. eta vs tors. theta energy: -71.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -806.273273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.273273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.273273 (E_RNA)
where:
Base-Base interactions energy: -546.383
where: short stacking energy: -237.562
Base-Backbone interact. energy: -0.750
local terms energy: -259.140340
where:
bonds (distance) C4'-P energy: -50.180
bonds (distance) P-C4' energy: -56.367
flat angles C4'-P-C4' energy: -61.397
flat angles P-C4'-P energy: -39.733
tors. eta vs tors. theta energy: -51.464
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: 8, replica: 6
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -695.403918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.403918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.403918 (E_RNA)
where:
Base-Base interactions energy: -450.135
where: short stacking energy: -207.724
Base-Backbone interact. energy: -1.065
local terms energy: -244.204424
where:
bonds (distance) C4'-P energy: -65.494
bonds (distance) P-C4' energy: -49.126
flat angles C4'-P-C4' energy: -56.501
flat angles P-C4'-P energy: -41.366
tors. eta vs tors. theta energy: -31.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -459.424959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.424959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.424959 (E_RNA)
where:
Base-Base interactions energy: -252.941
where: short stacking energy: -149.371
Base-Backbone interact. energy: -1.816
local terms energy: -204.667784
where:
bonds (distance) C4'-P energy: -49.762
bonds (distance) P-C4' energy: -57.874
flat angles C4'-P-C4' energy: -50.885
flat angles P-C4'-P energy: -32.915
tors. eta vs tors. theta energy: -13.231
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: 7
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -320.622180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.622180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.622180 (E_RNA)
where:
Base-Base interactions energy: -129.804
where: short stacking energy: -76.647
Base-Backbone interact. energy: -0.919
local terms energy: -189.899510
where:
bonds (distance) C4'-P energy: -45.639
bonds (distance) P-C4' energy: -63.760
flat angles C4'-P-C4' energy: -46.205
flat angles P-C4'-P energy: -34.735
tors. eta vs tors. theta energy: 0.439
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: 1
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -1153.048200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.048200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.048200 (E_RNA)
where:
Base-Base interactions energy: -814.264
where: short stacking energy: -353.857
Base-Backbone interact. energy: 0.783
local terms energy: -339.566710
where:
bonds (distance) C4'-P energy: -59.961
bonds (distance) P-C4' energy: -59.160
flat angles C4'-P-C4' energy: -74.065
flat angles P-C4'-P energy: -48.446
tors. eta vs tors. theta energy: -97.936
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: 8
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -1125.919157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.919157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.919157 (E_RNA)
where:
Base-Base interactions energy: -777.180
where: short stacking energy: -290.988
Base-Backbone interact. energy: 5.825
local terms energy: -354.563768
where:
bonds (distance) C4'-P energy: -65.761
bonds (distance) P-C4' energy: -73.557
flat angles C4'-P-C4' energy: -76.410
flat angles P-C4'-P energy: -53.844
tors. eta vs tors. theta energy: -84.993
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: 264
Temperature: 1.000000
Total energy: -1039.348023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.348023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.348023 (E_RNA)
where:
Base-Base interactions energy: -711.113
where: short stacking energy: -312.838
Base-Backbone interact. energy: -1.319
local terms energy: -326.915285
where:
bonds (distance) C4'-P energy: -61.601
bonds (distance) P-C4' energy: -62.161
flat angles C4'-P-C4' energy: -71.556
flat angles P-C4'-P energy: -43.905
tors. eta vs tors. theta energy: -87.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -1044.638045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.638045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.638045 (E_RNA)
where:
Base-Base interactions energy: -712.514
where: short stacking energy: -306.787
Base-Backbone interact. energy: 1.190
local terms energy: -333.313283
where:
bonds (distance) C4'-P energy: -61.743
bonds (distance) P-C4' energy: -67.820
flat angles C4'-P-C4' energy: -69.382
flat angles P-C4'-P energy: -44.287
tors. eta vs tors. theta energy: -90.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -968.380856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.380856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.380856 (E_RNA)
where:
Base-Base interactions energy: -669.455
where: short stacking energy: -278.850
Base-Backbone interact. energy: -0.055
local terms energy: -298.870700
where:
bonds (distance) C4'-P energy: -60.445
bonds (distance) P-C4' energy: -61.706
flat angles C4'-P-C4' energy: -61.947
flat angles P-C4'-P energy: -38.024
tors. eta vs tors. theta energy: -76.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -846.874653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.874653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.874653 (E_RNA)
where:
Base-Base interactions energy: -583.585
where: short stacking energy: -252.534
Base-Backbone interact. energy: 0.000
local terms energy: -263.289467
where:
bonds (distance) C4'-P energy: -63.628
bonds (distance) P-C4' energy: -51.978
flat angles C4'-P-C4' energy: -58.773
flat angles P-C4'-P energy: -31.767
tors. eta vs tors. theta energy: -57.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -859.893500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.893500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.893500 (E_RNA)
where:
Base-Base interactions energy: -573.525
where: short stacking energy: -259.856
Base-Backbone interact. energy: -2.682
local terms energy: -283.687249
where:
bonds (distance) C4'-P energy: -61.652
bonds (distance) P-C4' energy: -58.708
flat angles C4'-P-C4' energy: -63.895
flat angles P-C4'-P energy: -35.733
tors. eta vs tors. theta energy: -63.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -699.290923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.290923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.290923 (E_RNA)
where:
Base-Base interactions energy: -446.978
where: short stacking energy: -194.267
Base-Backbone interact. energy: -0.510
local terms energy: -251.802446
where:
bonds (distance) C4'-P energy: -45.564
bonds (distance) P-C4' energy: -56.169
flat angles C4'-P-C4' energy: -69.679
flat angles P-C4'-P energy: -35.074
tors. eta vs tors. theta energy: -45.316
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: 5
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -455.664484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.664484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.664484 (E_RNA)
where:
Base-Base interactions energy: -246.442
where: short stacking energy: -137.439
Base-Backbone interact. energy: 0.316
local terms energy: -209.538153
where:
bonds (distance) C4'-P energy: -51.731
bonds (distance) P-C4' energy: -57.733
flat angles C4'-P-C4' energy: -48.500
flat angles P-C4'-P energy: -40.592
tors. eta vs tors. theta energy: -10.984
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: 7
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -290.770373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.770373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.770373 (E_RNA)
where:
Base-Base interactions energy: -113.756
where: short stacking energy: -109.145
Base-Backbone interact. energy: -0.980
local terms energy: -176.034126
where:
bonds (distance) C4'-P energy: -31.134
bonds (distance) P-C4' energy: -61.698
flat angles C4'-P-C4' energy: -48.277
flat angles P-C4'-P energy: -25.295
tors. eta vs tors. theta energy: -9.630
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: 1
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -1152.795271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.795271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.795271 (E_RNA)
where:
Base-Base interactions energy: -790.658
where: short stacking energy: -326.620
Base-Backbone interact. energy: -0.884
local terms energy: -361.252870
where:
bonds (distance) C4'-P energy: -76.169
bonds (distance) P-C4' energy: -70.219
flat angles C4'-P-C4' energy: -71.992
flat angles P-C4'-P energy: -46.667
tors. eta vs tors. theta energy: -96.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -1114.012861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.012861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.012861 (E_RNA)
where:
Base-Base interactions energy: -775.160
where: short stacking energy: -297.446
Base-Backbone interact. energy: 4.209
local terms energy: -343.062236
where:
bonds (distance) C4'-P energy: -61.310
bonds (distance) P-C4' energy: -69.317
flat angles C4'-P-C4' energy: -74.565
flat angles P-C4'-P energy: -50.957
tors. eta vs tors. theta energy: -86.913
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: 4
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -1049.855279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.855279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.855279 (E_RNA)
where:
Base-Base interactions energy: -721.211
where: short stacking energy: -325.410
Base-Backbone interact. energy: -0.564
local terms energy: -328.080112
where:
bonds (distance) C4'-P energy: -56.734
bonds (distance) P-C4' energy: -58.226
flat angles C4'-P-C4' energy: -68.909
flat angles P-C4'-P energy: -45.340
tors. eta vs tors. theta energy: -98.871
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: 10
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -1050.881870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.881870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.881870 (E_RNA)
where:
Base-Base interactions energy: -715.469
where: short stacking energy: -298.918
Base-Backbone interact. energy: 1.420
local terms energy: -336.832896
where:
bonds (distance) C4'-P energy: -61.660
bonds (distance) P-C4' energy: -59.632
flat angles C4'-P-C4' energy: -74.574
flat angles P-C4'-P energy: -48.086
tors. eta vs tors. theta energy: -92.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -976.632047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.632047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.632047 (E_RNA)
where:
Base-Base interactions energy: -655.995
where: short stacking energy: -290.549
Base-Backbone interact. energy: -0.908
local terms energy: -319.729161
where:
bonds (distance) C4'-P energy: -66.749
bonds (distance) P-C4' energy: -57.231
flat angles C4'-P-C4' energy: -72.856
flat angles P-C4'-P energy: -52.200
tors. eta vs tors. theta energy: -70.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -873.195413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.195413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.195413 (E_RNA)
where:
Base-Base interactions energy: -591.188
where: short stacking energy: -245.106
Base-Backbone interact. energy: -3.218
local terms energy: -278.789079
where:
bonds (distance) C4'-P energy: -57.893
bonds (distance) P-C4' energy: -60.869
flat angles C4'-P-C4' energy: -64.374
flat angles P-C4'-P energy: -41.301
tors. eta vs tors. theta energy: -54.352
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: 3
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -775.173194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.173194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.173194 (E_RNA)
where:
Base-Base interactions energy: -531.089
where: short stacking energy: -222.234
Base-Backbone interact. energy: -1.604
local terms energy: -242.480410
where:
bonds (distance) C4'-P energy: -53.206
bonds (distance) P-C4' energy: -54.779
flat angles C4'-P-C4' energy: -49.227
flat angles P-C4'-P energy: -31.597
tors. eta vs tors. theta energy: -53.670
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: 6
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -689.980387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.980387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.980387 (E_RNA)
where:
Base-Base interactions energy: -456.729
where: short stacking energy: -219.876
Base-Backbone interact. energy: 0.532
local terms energy: -233.783533
where:
bonds (distance) C4'-P energy: -55.473
bonds (distance) P-C4' energy: -45.888
flat angles C4'-P-C4' energy: -54.405
flat angles P-C4'-P energy: -34.110
tors. eta vs tors. theta energy: -43.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -462.902242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.902242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.902242 (E_RNA)
where:
Base-Base interactions energy: -261.599
where: short stacking energy: -147.708
Base-Backbone interact. energy: -0.912
local terms energy: -200.391544
where:
bonds (distance) C4'-P energy: -49.323
bonds (distance) P-C4' energy: -55.020
flat angles C4'-P-C4' energy: -48.477
flat angles P-C4'-P energy: -22.659
tors. eta vs tors. theta energy: -24.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -271.839968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.839968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.839968 (E_RNA)
where:
Base-Base interactions energy: -92.356
where: short stacking energy: -90.582
Base-Backbone interact. energy: -1.149
local terms energy: -178.335056
where:
bonds (distance) C4'-P energy: -44.239
bonds (distance) P-C4' energy: -55.674
flat angles C4'-P-C4' energy: -50.959
flat angles P-C4'-P energy: -35.986
tors. eta vs tors. theta energy: 8.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -1153.285562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.285562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.285562 (E_RNA)
where:
Base-Base interactions energy: -804.755
where: short stacking energy: -329.351
Base-Backbone interact. energy: 7.002
local terms energy: -355.532515
where:
bonds (distance) C4'-P energy: -66.893
bonds (distance) P-C4' energy: -72.908
flat angles C4'-P-C4' energy: -77.068
flat angles P-C4'-P energy: -50.504
tors. eta vs tors. theta energy: -88.160
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: 1
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -1137.586756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.586756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.586756 (E_RNA)
where:
Base-Base interactions energy: -772.423
where: short stacking energy: -349.525
Base-Backbone interact. energy: -1.598
local terms energy: -363.565839
where:
bonds (distance) C4'-P energy: -61.629
bonds (distance) P-C4' energy: -67.227
flat angles C4'-P-C4' energy: -73.979
flat angles P-C4'-P energy: -57.990
tors. eta vs tors. theta energy: -102.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -1050.461455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.461455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.461455 (E_RNA)
where:
Base-Base interactions energy: -722.220
where: short stacking energy: -320.066
Base-Backbone interact. energy: -1.027
local terms energy: -327.214574
where:
bonds (distance) C4'-P energy: -67.441
bonds (distance) P-C4' energy: -57.357
flat angles C4'-P-C4' energy: -72.707
flat angles P-C4'-P energy: -47.684
tors. eta vs tors. theta energy: -82.026
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: 10
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -1083.063668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.063668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.063668 (E_RNA)
where:
Base-Base interactions energy: -764.791
where: short stacking energy: -336.440
Base-Backbone interact. energy: 0.330
local terms energy: -318.602650
where:
bonds (distance) C4'-P energy: -52.184
bonds (distance) P-C4' energy: -63.019
flat angles C4'-P-C4' energy: -70.358
flat angles P-C4'-P energy: -43.956
tors. eta vs tors. theta energy: -89.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -905.176919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.176919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.176919 (E_RNA)
where:
Base-Base interactions energy: -615.116
where: short stacking energy: -248.550
Base-Backbone interact. energy: 0.007
local terms energy: -290.068162
where:
bonds (distance) C4'-P energy: -57.816
bonds (distance) P-C4' energy: -57.544
flat angles C4'-P-C4' energy: -63.784
flat angles P-C4'-P energy: -50.830
tors. eta vs tors. theta energy: -60.095
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: 2
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -948.272783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.272783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.272783 (E_RNA)
where:
Base-Base interactions energy: -649.471
where: short stacking energy: -282.983
Base-Backbone interact. energy: -0.762
local terms energy: -298.040211
where:
bonds (distance) C4'-P energy: -55.152
bonds (distance) P-C4' energy: -56.269
flat angles C4'-P-C4' energy: -64.699
flat angles P-C4'-P energy: -41.767
tors. eta vs tors. theta energy: -80.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -790.439670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.439670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.439670 (E_RNA)
where:
Base-Base interactions energy: -520.735
where: short stacking energy: -235.062
Base-Backbone interact. energy: -0.178
local terms energy: -269.526573
where:
bonds (distance) C4'-P energy: -50.784
bonds (distance) P-C4' energy: -60.953
flat angles C4'-P-C4' energy: -57.958
flat angles P-C4'-P energy: -45.178
tors. eta vs tors. theta energy: -54.654
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: 6
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -687.587802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.587802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.587802 (E_RNA)
where:
Base-Base interactions energy: -436.742
where: short stacking energy: -203.192
Base-Backbone interact. energy: -0.434
local terms energy: -250.412580
where:
bonds (distance) C4'-P energy: -57.369
bonds (distance) P-C4' energy: -62.618
flat angles C4'-P-C4' energy: -54.947
flat angles P-C4'-P energy: -31.511
tors. eta vs tors. theta energy: -43.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -464.178430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.178430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.178430 (E_RNA)
where:
Base-Base interactions energy: -256.361
where: short stacking energy: -153.947
Base-Backbone interact. energy: 0.021
local terms energy: -207.839169
where:
bonds (distance) C4'-P energy: -48.054
bonds (distance) P-C4' energy: -54.610
flat angles C4'-P-C4' energy: -54.368
flat angles P-C4'-P energy: -32.716
tors. eta vs tors. theta energy: -18.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -302.737233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.737233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.737233 (E_RNA)
where:
Base-Base interactions energy: -113.412
where: short stacking energy: -99.464
Base-Backbone interact. energy: -1.057
local terms energy: -188.268131
where:
bonds (distance) C4'-P energy: -41.921
bonds (distance) P-C4' energy: -59.253
flat angles C4'-P-C4' energy: -45.024
flat angles P-C4'-P energy: -33.419
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: 1, replica: 8
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -1180.257022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.257022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.257022 (E_RNA)
where:
Base-Base interactions energy: -833.267
where: short stacking energy: -330.082
Base-Backbone interact. energy: 5.417
local terms energy: -352.406530
where:
bonds (distance) C4'-P energy: -62.259
bonds (distance) P-C4' energy: -70.580
flat angles C4'-P-C4' energy: -79.912
flat angles P-C4'-P energy: -46.117
tors. eta vs tors. theta energy: -93.539
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: 1
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -1131.889244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.889244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.889244 (E_RNA)
where:
Base-Base interactions energy: -785.887
where: short stacking energy: -358.816
Base-Backbone interact. energy: 0.393
local terms energy: -346.394892
where:
bonds (distance) C4'-P energy: -62.085
bonds (distance) P-C4' energy: -67.651
flat angles C4'-P-C4' energy: -69.302
flat angles P-C4'-P energy: -44.557
tors. eta vs tors. theta energy: -102.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -1039.481486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.481486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.481486 (E_RNA)
where:
Base-Base interactions energy: -719.195
where: short stacking energy: -320.215
Base-Backbone interact. energy: -1.020
local terms energy: -319.265956
where:
bonds (distance) C4'-P energy: -56.734
bonds (distance) P-C4' energy: -59.412
flat angles C4'-P-C4' energy: -69.790
flat angles P-C4'-P energy: -41.012
tors. eta vs tors. theta energy: -92.318
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: 4, replica: 10
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -1036.845361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.845361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.845361 (E_RNA)
where:
Base-Base interactions energy: -710.811
where: short stacking energy: -300.215
Base-Backbone interact. energy: -0.158
local terms energy: -325.876386
where:
bonds (distance) C4'-P energy: -61.349
bonds (distance) P-C4' energy: -65.604
flat angles C4'-P-C4' energy: -63.981
flat angles P-C4'-P energy: -44.664
tors. eta vs tors. theta energy: -90.279
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: 9
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -928.738417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.738417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.738417 (E_RNA)
where:
Base-Base interactions energy: -635.234
where: short stacking energy: -283.011
Base-Backbone interact. energy: 0.389
local terms energy: -293.893773
where:
bonds (distance) C4'-P energy: -61.792
bonds (distance) P-C4' energy: -41.919
flat angles C4'-P-C4' energy: -68.024
flat angles P-C4'-P energy: -46.472
tors. eta vs tors. theta energy: -75.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -946.264519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.264519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.264519 (E_RNA)
where:
Base-Base interactions energy: -635.875
where: short stacking energy: -292.424
Base-Backbone interact. energy: 0.167
local terms energy: -310.556527
where:
bonds (distance) C4'-P energy: -64.630
bonds (distance) P-C4' energy: -52.146
flat angles C4'-P-C4' energy: -65.123
flat angles P-C4'-P energy: -42.915
tors. eta vs tors. theta energy: -85.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -808.925955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.925955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.925955 (E_RNA)
where:
Base-Base interactions energy: -526.626
where: short stacking energy: -219.791
Base-Backbone interact. energy: -1.346
local terms energy: -280.953427
where:
bonds (distance) C4'-P energy: -61.675
bonds (distance) P-C4' energy: -61.419
flat angles C4'-P-C4' energy: -66.237
flat angles P-C4'-P energy: -42.482
tors. eta vs tors. theta energy: -49.139
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: 6
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -713.482805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.482805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.482805 (E_RNA)
where:
Base-Base interactions energy: -466.605
where: short stacking energy: -212.907
Base-Backbone interact. energy: 2.064
local terms energy: -248.941531
where:
bonds (distance) C4'-P energy: -54.749
bonds (distance) P-C4' energy: -63.376
flat angles C4'-P-C4' energy: -50.895
flat angles P-C4'-P energy: -31.233
tors. eta vs tors. theta energy: -48.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -437.891616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.891616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.891616 (E_RNA)
where:
Base-Base interactions energy: -231.185
where: short stacking energy: -132.140
Base-Backbone interact. energy: 1.659
local terms energy: -208.365748
where:
bonds (distance) C4'-P energy: -54.234
bonds (distance) P-C4' energy: -42.185
flat angles C4'-P-C4' energy: -60.543
flat angles P-C4'-P energy: -37.745
tors. eta vs tors. theta energy: -13.658
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: 10, replica: 7
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -259.817983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.817983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.817983 (E_RNA)
where:
Base-Base interactions energy: -92.232
where: short stacking energy: -70.068
Base-Backbone interact. energy: 2.958
local terms energy: -170.543496
where:
bonds (distance) C4'-P energy: -58.003
bonds (distance) P-C4' energy: -64.314
flat angles C4'-P-C4' energy: -42.841
flat angles P-C4'-P energy: -18.936
tors. eta vs tors. theta energy: 13.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -1146.920949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.920949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.920949 (E_RNA)
where:
Base-Base interactions energy: -810.037
where: short stacking energy: -340.651
Base-Backbone interact. energy: 3.881
local terms energy: -340.764884
where:
bonds (distance) C4'-P energy: -53.218
bonds (distance) P-C4' energy: -70.420
flat angles C4'-P-C4' energy: -77.304
flat angles P-C4'-P energy: -49.244
tors. eta vs tors. theta energy: -90.579
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: 2, replica: 1
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -1143.402327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.402327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.402327 (E_RNA)
where:
Base-Base interactions energy: -791.270
where: short stacking energy: -350.031
Base-Backbone interact. energy: -1.361
local terms energy: -350.771386
where:
bonds (distance) C4'-P energy: -59.367
bonds (distance) P-C4' energy: -72.191
flat angles C4'-P-C4' energy: -71.095
flat angles P-C4'-P energy: -48.848
tors. eta vs tors. theta energy: -99.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -1075.011056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.011056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.011056 (E_RNA)
where:
Base-Base interactions energy: -748.816
where: short stacking energy: -333.067
Base-Backbone interact. energy: 0.766
local terms energy: -326.960677
where:
bonds (distance) C4'-P energy: -63.608
bonds (distance) P-C4' energy: -53.617
flat angles C4'-P-C4' energy: -75.406
flat angles P-C4'-P energy: -45.439
tors. eta vs tors. theta energy: -88.890
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: 4
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -1023.858065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.858065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.858065 (E_RNA)
where:
Base-Base interactions energy: -684.649
where: short stacking energy: -297.141
Base-Backbone interact. energy: -3.025
local terms energy: -336.184105
where:
bonds (distance) C4'-P energy: -55.944
bonds (distance) P-C4' energy: -73.050
flat angles C4'-P-C4' energy: -70.917
flat angles P-C4'-P energy: -50.786
tors. eta vs tors. theta energy: -85.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -968.755193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.755193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.755193 (E_RNA)
where:
Base-Base interactions energy: -650.484
where: short stacking energy: -287.444
Base-Backbone interact. energy: -1.012
local terms energy: -317.259164
where:
bonds (distance) C4'-P energy: -60.621
bonds (distance) P-C4' energy: -59.559
flat angles C4'-P-C4' energy: -71.545
flat angles P-C4'-P energy: -52.705
tors. eta vs tors. theta energy: -72.829
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: 9
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -868.781564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.781564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.781564 (E_RNA)
where:
Base-Base interactions energy: -583.678
where: short stacking energy: -245.395
Base-Backbone interact. energy: -1.980
local terms energy: -283.123335
where:
bonds (distance) C4'-P energy: -62.514
bonds (distance) P-C4' energy: -58.821
flat angles C4'-P-C4' energy: -59.103
flat angles P-C4'-P energy: -44.664
tors. eta vs tors. theta energy: -58.022
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: 268
Temperature: 1.200000
Total energy: -794.953576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.953576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.953576 (E_RNA)
where:
Base-Base interactions energy: -514.134
where: short stacking energy: -226.685
Base-Backbone interact. energy: -0.818
local terms energy: -280.002392
where:
bonds (distance) C4'-P energy: -58.318
bonds (distance) P-C4' energy: -56.479
flat angles C4'-P-C4' energy: -60.356
flat angles P-C4'-P energy: -45.970
tors. eta vs tors. theta energy: -58.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -728.327235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.327235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.327235 (E_RNA)
where:
Base-Base interactions energy: -469.820
where: short stacking energy: -207.053
Base-Backbone interact. energy: 0.631
local terms energy: -259.138509
where:
bonds (distance) C4'-P energy: -64.348
bonds (distance) P-C4' energy: -55.132
flat angles C4'-P-C4' energy: -45.812
flat angles P-C4'-P energy: -43.631
tors. eta vs tors. theta energy: -50.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -483.356176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.356176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.356176 (E_RNA)
where:
Base-Base interactions energy: -276.747
where: short stacking energy: -132.486
Base-Backbone interact. energy: -0.274
local terms energy: -206.334583
where:
bonds (distance) C4'-P energy: -51.477
bonds (distance) P-C4' energy: -69.114
flat angles C4'-P-C4' energy: -47.734
flat angles P-C4'-P energy: -26.051
tors. eta vs tors. theta energy: -11.958
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: 10, replica: 7
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -289.400075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.400075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.400075 (E_RNA)
where:
Base-Base interactions energy: -101.402
where: short stacking energy: -87.466
Base-Backbone interact. energy: -2.022
local terms energy: -185.975390
where:
bonds (distance) C4'-P energy: -56.877
bonds (distance) P-C4' energy: -54.736
flat angles C4'-P-C4' energy: -53.246
flat angles P-C4'-P energy: -27.445
tors. eta vs tors. theta energy: 6.329
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: 8
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -1146.411212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.411212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.411212 (E_RNA)
where:
Base-Base interactions energy: -814.886
where: short stacking energy: -331.713
Base-Backbone interact. energy: 4.697
local terms energy: -336.222161
where:
bonds (distance) C4'-P energy: -55.987
bonds (distance) P-C4' energy: -65.485
flat angles C4'-P-C4' energy: -74.873
flat angles P-C4'-P energy: -51.435
tors. eta vs tors. theta energy: -88.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -1152.586908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.586908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.586908 (E_RNA)
where:
Base-Base interactions energy: -786.725
where: short stacking energy: -364.621
Base-Backbone interact. energy: -0.664
local terms energy: -365.197686
where:
bonds (distance) C4'-P energy: -63.994
bonds (distance) P-C4' energy: -67.355
flat angles C4'-P-C4' energy: -72.201
flat angles P-C4'-P energy: -50.236
tors. eta vs tors. theta energy: -111.413
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: 10
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -1106.287667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.287667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.287667 (E_RNA)
where:
Base-Base interactions energy: -758.637
where: short stacking energy: -333.700
Base-Backbone interact. energy: -0.910
local terms energy: -346.740357
where:
bonds (distance) C4'-P energy: -68.254
bonds (distance) P-C4' energy: -72.468
flat angles C4'-P-C4' energy: -76.382
flat angles P-C4'-P energy: -45.627
tors. eta vs tors. theta energy: -84.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -1009.762431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.762431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.762431 (E_RNA)
where:
Base-Base interactions energy: -693.838
where: short stacking energy: -299.761
Base-Backbone interact. energy: -1.662
local terms energy: -314.261988
where:
bonds (distance) C4'-P energy: -49.974
bonds (distance) P-C4' energy: -52.141
flat angles C4'-P-C4' energy: -73.456
flat angles P-C4'-P energy: -54.081
tors. eta vs tors. theta energy: -84.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -972.816182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.816182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.816182 (E_RNA)
where:
Base-Base interactions energy: -675.177
where: short stacking energy: -288.868
Base-Backbone interact. energy: -0.808
local terms energy: -296.830817
where:
bonds (distance) C4'-P energy: -53.538
bonds (distance) P-C4' energy: -51.608
flat angles C4'-P-C4' energy: -70.669
flat angles P-C4'-P energy: -41.318
tors. eta vs tors. theta energy: -79.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -850.502004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.502004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.502004 (E_RNA)
where:
Base-Base interactions energy: -556.594
where: short stacking energy: -255.919
Base-Backbone interact. energy: 1.737
local terms energy: -295.644982
where:
bonds (distance) C4'-P energy: -48.039
bonds (distance) P-C4' energy: -60.290
flat angles C4'-P-C4' energy: -73.999
flat angles P-C4'-P energy: -39.667
tors. eta vs tors. theta energy: -73.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -870.852820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.852820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.852820 (E_RNA)
where:
Base-Base interactions energy: -592.110
where: short stacking energy: -254.372
Base-Backbone interact. energy: -0.802
local terms energy: -277.940808
where:
bonds (distance) C4'-P energy: -53.929
bonds (distance) P-C4' energy: -57.152
flat angles C4'-P-C4' energy: -53.765
flat angles P-C4'-P energy: -45.079
tors. eta vs tors. theta energy: -68.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -734.315508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.315508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.315508 (E_RNA)
where:
Base-Base interactions energy: -473.587
where: short stacking energy: -221.242
Base-Backbone interact. energy: -0.773
local terms energy: -259.955109
where:
bonds (distance) C4'-P energy: -54.046
bonds (distance) P-C4' energy: -59.735
flat angles C4'-P-C4' energy: -60.383
flat angles P-C4'-P energy: -33.025
tors. eta vs tors. theta energy: -52.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -492.214637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.214637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.214637 (E_RNA)
where:
Base-Base interactions energy: -270.432
where: short stacking energy: -124.795
Base-Backbone interact. energy: 0.591
local terms energy: -222.373221
where:
bonds (distance) C4'-P energy: -49.842
bonds (distance) P-C4' energy: -68.609
flat angles C4'-P-C4' energy: -59.973
flat angles P-C4'-P energy: -34.966
tors. eta vs tors. theta energy: -8.983
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: 10, replica: 7
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -281.894040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.894040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.894040 (E_RNA)
where:
Base-Base interactions energy: -117.830
where: short stacking energy: -96.614
Base-Backbone interact. energy: -0.390
local terms energy: -163.673908
where:
bonds (distance) C4'-P energy: -53.393
bonds (distance) P-C4' energy: -50.582
flat angles C4'-P-C4' energy: -32.122
flat angles P-C4'-P energy: -24.782
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: 1, replica: 1
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -1169.180450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.180450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.180450 (E_RNA)
where:
Base-Base interactions energy: -798.129
where: short stacking energy: -365.271
Base-Backbone interact. energy: 0.702
local terms energy: -371.752883
where:
bonds (distance) C4'-P energy: -63.235
bonds (distance) P-C4' energy: -61.701
flat angles C4'-P-C4' energy: -77.209
flat angles P-C4'-P energy: -58.874
tors. eta vs tors. theta energy: -110.734
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: 2, replica: 8
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -1124.495350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.495350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.495350 (E_RNA)
where:
Base-Base interactions energy: -780.798
where: short stacking energy: -313.089
Base-Backbone interact. energy: 3.587
local terms energy: -347.283714
where:
bonds (distance) C4'-P energy: -68.718
bonds (distance) P-C4' energy: -70.978
flat angles C4'-P-C4' energy: -68.506
flat angles P-C4'-P energy: -47.161
tors. eta vs tors. theta energy: -91.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -1100.624383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.624383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.624383 (E_RNA)
where:
Base-Base interactions energy: -754.144
where: short stacking energy: -331.071
Base-Backbone interact. energy: -1.659
local terms energy: -344.821345
where:
bonds (distance) C4'-P energy: -58.684
bonds (distance) P-C4' energy: -62.522
flat angles C4'-P-C4' energy: -78.870
flat angles P-C4'-P energy: -51.141
tors. eta vs tors. theta energy: -93.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -1032.414449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.414449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.414449 (E_RNA)
where:
Base-Base interactions energy: -725.453
where: short stacking energy: -320.363
Base-Backbone interact. energy: -2.988
local terms energy: -303.973296
where:
bonds (distance) C4'-P energy: -48.151
bonds (distance) P-C4' energy: -49.947
flat angles C4'-P-C4' energy: -65.242
flat angles P-C4'-P energy: -48.088
tors. eta vs tors. theta energy: -92.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -944.584871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.584871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.584871 (E_RNA)
where:
Base-Base interactions energy: -625.592
where: short stacking energy: -279.670
Base-Backbone interact. energy: -1.028
local terms energy: -317.965291
where:
bonds (distance) C4'-P energy: -64.020
bonds (distance) P-C4' energy: -60.774
flat angles C4'-P-C4' energy: -62.354
flat angles P-C4'-P energy: -44.013
tors. eta vs tors. theta energy: -86.805
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: 3
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -887.915183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.915183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.915183 (E_RNA)
where:
Base-Base interactions energy: -575.226
where: short stacking energy: -273.774
Base-Backbone interact. energy: -1.650
local terms energy: -311.038252
where:
bonds (distance) C4'-P energy: -61.575
bonds (distance) P-C4' energy: -55.650
flat angles C4'-P-C4' energy: -66.877
flat angles P-C4'-P energy: -41.265
tors. eta vs tors. theta energy: -85.672
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: 9
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -843.904747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.904747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.904747 (E_RNA)
where:
Base-Base interactions energy: -588.316
where: short stacking energy: -254.256
Base-Backbone interact. energy: 0.406
local terms energy: -255.994311
where:
bonds (distance) C4'-P energy: -42.704
bonds (distance) P-C4' energy: -61.539
flat angles C4'-P-C4' energy: -60.793
flat angles P-C4'-P energy: -35.206
tors. eta vs tors. theta energy: -55.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -723.881319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.881319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.881319 (E_RNA)
where:
Base-Base interactions energy: -479.886
where: short stacking energy: -207.218
Base-Backbone interact. energy: 2.283
local terms energy: -246.277913
where:
bonds (distance) C4'-P energy: -51.696
bonds (distance) P-C4' energy: -57.926
flat angles C4'-P-C4' energy: -57.332
flat angles P-C4'-P energy: -30.690
tors. eta vs tors. theta energy: -48.635
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: 9, replica: 5
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -502.704789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.704789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.704789 (E_RNA)
where:
Base-Base interactions energy: -294.236
where: short stacking energy: -157.000
Base-Backbone interact. energy: 0.285
local terms energy: -208.754284
where:
bonds (distance) C4'-P energy: -50.073
bonds (distance) P-C4' energy: -50.999
flat angles C4'-P-C4' energy: -52.461
flat angles P-C4'-P energy: -35.847
tors. eta vs tors. theta energy: -19.374
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: 7
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -303.432329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.432329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.432329 (E_RNA)
where:
Base-Base interactions energy: -124.568
where: short stacking energy: -97.338
Base-Backbone interact. energy: 3.680
local terms energy: -182.544359
where:
bonds (distance) C4'-P energy: -66.436
bonds (distance) P-C4' energy: -58.248
flat angles C4'-P-C4' energy: -47.790
flat angles P-C4'-P energy: -19.460
tors. eta vs tors. theta energy: 9.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -1166.826255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.826255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.826255 (E_RNA)
where:
Base-Base interactions energy: -788.302
where: short stacking energy: -363.202
Base-Backbone interact. energy: -0.012
local terms energy: -378.512437
where:
bonds (distance) C4'-P energy: -75.052
bonds (distance) P-C4' energy: -68.858
flat angles C4'-P-C4' energy: -74.677
flat angles P-C4'-P energy: -52.246
tors. eta vs tors. theta energy: -107.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -1124.408097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.408097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.408097 (E_RNA)
where:
Base-Base interactions energy: -787.907
where: short stacking energy: -323.566
Base-Backbone interact. energy: 5.909
local terms energy: -342.410743
where:
bonds (distance) C4'-P energy: -71.103
bonds (distance) P-C4' energy: -65.794
flat angles C4'-P-C4' energy: -71.771
flat angles P-C4'-P energy: -47.284
tors. eta vs tors. theta energy: -86.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -1094.783788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.783788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.783788 (E_RNA)
where:
Base-Base interactions energy: -737.576
where: short stacking energy: -340.797
Base-Backbone interact. energy: -0.389
local terms energy: -356.818214
where:
bonds (distance) C4'-P energy: -68.679
bonds (distance) P-C4' energy: -68.944
flat angles C4'-P-C4' energy: -67.415
flat angles P-C4'-P energy: -50.730
tors. eta vs tors. theta energy: -101.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -1021.355033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.355033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.355033 (E_RNA)
where:
Base-Base interactions energy: -694.645
where: short stacking energy: -304.577
Base-Backbone interact. energy: -1.454
local terms energy: -325.256567
where:
bonds (distance) C4'-P energy: -52.694
bonds (distance) P-C4' energy: -65.920
flat angles C4'-P-C4' energy: -68.576
flat angles P-C4'-P energy: -53.993
tors. eta vs tors. theta energy: -84.074
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: 2
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -970.285491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.285491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.285491 (E_RNA)
where:
Base-Base interactions energy: -661.054
where: short stacking energy: -299.200
Base-Backbone interact. energy: -0.837
local terms energy: -308.394638
where:
bonds (distance) C4'-P energy: -52.693
bonds (distance) P-C4' energy: -62.181
flat angles C4'-P-C4' energy: -68.743
flat angles P-C4'-P energy: -48.411
tors. eta vs tors. theta energy: -76.367
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: 3
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -858.595418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.595418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.595418 (E_RNA)
where:
Base-Base interactions energy: -580.013
where: short stacking energy: -270.194
Base-Backbone interact. energy: -1.056
local terms energy: -277.526696
where:
bonds (distance) C4'-P energy: -47.929
bonds (distance) P-C4' energy: -54.835
flat angles C4'-P-C4' energy: -69.071
flat angles P-C4'-P energy: -30.845
tors. eta vs tors. theta energy: -74.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -891.323543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.323543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.323543 (E_RNA)
where:
Base-Base interactions energy: -599.242
where: short stacking energy: -258.031
Base-Backbone interact. energy: 2.722
local terms energy: -294.803202
where:
bonds (distance) C4'-P energy: -68.402
bonds (distance) P-C4' energy: -50.693
flat angles C4'-P-C4' energy: -59.753
flat angles P-C4'-P energy: -46.327
tors. eta vs tors. theta energy: -69.628
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: 6
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -730.338435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.338435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.338435 (E_RNA)
where:
Base-Base interactions energy: -463.863
where: short stacking energy: -217.077
Base-Backbone interact. energy: -0.011
local terms energy: -266.464841
where:
bonds (distance) C4'-P energy: -56.319
bonds (distance) P-C4' energy: -56.876
flat angles C4'-P-C4' energy: -68.090
flat angles P-C4'-P energy: -32.058
tors. eta vs tors. theta energy: -53.123
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: 5
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -461.404638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.404638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.404638 (E_RNA)
where:
Base-Base interactions energy: -263.940
where: short stacking energy: -131.640
Base-Backbone interact. energy: -0.733
local terms energy: -196.731009
where:
bonds (distance) C4'-P energy: -47.642
bonds (distance) P-C4' energy: -50.420
flat angles C4'-P-C4' energy: -46.454
flat angles P-C4'-P energy: -42.118
tors. eta vs tors. theta energy: -10.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -280.898914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.898914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.898914 (E_RNA)
where:
Base-Base interactions energy: -105.663
where: short stacking energy: -82.030
Base-Backbone interact. energy: 1.698
local terms energy: -176.933416
where:
bonds (distance) C4'-P energy: -53.117
bonds (distance) P-C4' energy: -64.950
flat angles C4'-P-C4' energy: -47.259
flat angles P-C4'-P energy: -21.341
tors. eta vs tors. theta energy: 9.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -1157.620928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.620928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.620928 (E_RNA)
where:
Base-Base interactions energy: -793.151
where: short stacking energy: -354.347
Base-Backbone interact. energy: -0.363
local terms energy: -364.107271
where:
bonds (distance) C4'-P energy: -59.921
bonds (distance) P-C4' energy: -68.158
flat angles C4'-P-C4' energy: -77.179
flat angles P-C4'-P energy: -53.463
tors. eta vs tors. theta energy: -105.386
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: 2, replica: 8
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -1138.280890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.280890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.280890 (E_RNA)
where:
Base-Base interactions energy: -799.921
where: short stacking energy: -322.241
Base-Backbone interact. energy: 3.683
local terms energy: -342.043440
where:
bonds (distance) C4'-P energy: -62.584
bonds (distance) P-C4' energy: -70.763
flat angles C4'-P-C4' energy: -70.341
flat angles P-C4'-P energy: -46.935
tors. eta vs tors. theta energy: -91.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -1072.790764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.790764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.790764 (E_RNA)
where:
Base-Base interactions energy: -733.712
where: short stacking energy: -329.940
Base-Backbone interact. energy: -1.008
local terms energy: -338.070534
where:
bonds (distance) C4'-P energy: -63.587
bonds (distance) P-C4' energy: -60.418
flat angles C4'-P-C4' energy: -66.440
flat angles P-C4'-P energy: -53.047
tors. eta vs tors. theta energy: -94.578
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: 4
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -996.303860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.303860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.303860 (E_RNA)
where:
Base-Base interactions energy: -682.352
where: short stacking energy: -305.851
Base-Backbone interact. energy: -1.764
local terms energy: -312.187780
where:
bonds (distance) C4'-P energy: -53.891
bonds (distance) P-C4' energy: -54.683
flat angles C4'-P-C4' energy: -69.778
flat angles P-C4'-P energy: -52.929
tors. eta vs tors. theta energy: -80.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -969.818247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.818247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.818247 (E_RNA)
where:
Base-Base interactions energy: -643.528
where: short stacking energy: -290.971
Base-Backbone interact. energy: 0.113
local terms energy: -326.402735
where:
bonds (distance) C4'-P energy: -64.430
bonds (distance) P-C4' energy: -59.940
flat angles C4'-P-C4' energy: -69.704
flat angles P-C4'-P energy: -48.156
tors. eta vs tors. theta energy: -84.172
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: 3
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -843.499440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.499440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.499440 (E_RNA)
where:
Base-Base interactions energy: -563.328
where: short stacking energy: -276.062
Base-Backbone interact. energy: -1.176
local terms energy: -278.995282
where:
bonds (distance) C4'-P energy: -59.432
bonds (distance) P-C4' energy: -59.276
flat angles C4'-P-C4' energy: -54.490
flat angles P-C4'-P energy: -34.938
tors. eta vs tors. theta energy: -70.859
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: 9
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -871.856112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.856112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.856112 (E_RNA)
where:
Base-Base interactions energy: -580.023
where: short stacking energy: -256.140
Base-Backbone interact. energy: -1.116
local terms energy: -290.717224
where:
bonds (distance) C4'-P energy: -56.015
bonds (distance) P-C4' energy: -54.627
flat angles C4'-P-C4' energy: -69.809
flat angles P-C4'-P energy: -35.652
tors. eta vs tors. theta energy: -74.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -784.852791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.852791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.852791 (E_RNA)
where:
Base-Base interactions energy: -502.761
where: short stacking energy: -243.003
Base-Backbone interact. energy: -1.199
local terms energy: -280.892726
where:
bonds (distance) C4'-P energy: -50.612
bonds (distance) P-C4' energy: -50.535
flat angles C4'-P-C4' energy: -60.764
flat angles P-C4'-P energy: -48.360
tors. eta vs tors. theta energy: -70.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -446.062309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.062309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.062309 (E_RNA)
where:
Base-Base interactions energy: -229.918
where: short stacking energy: -133.859
Base-Backbone interact. energy: 4.468
local terms energy: -220.612946
where:
bonds (distance) C4'-P energy: -48.056
bonds (distance) P-C4' energy: -67.864
flat angles C4'-P-C4' energy: -56.675
flat angles P-C4'-P energy: -37.163
tors. eta vs tors. theta energy: -10.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -282.193972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.193972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.193972 (E_RNA)
where:
Base-Base interactions energy: -89.931
where: short stacking energy: -66.123
Base-Backbone interact. energy: 0.169
local terms energy: -192.432561
where:
bonds (distance) C4'-P energy: -64.916
bonds (distance) P-C4' energy: -62.746
flat angles C4'-P-C4' energy: -52.927
flat angles P-C4'-P energy: -30.384
tors. eta vs tors. theta energy: 18.541
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: 1
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -1177.990709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.990709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.990709 (E_RNA)
where:
Base-Base interactions energy: -795.958
where: short stacking energy: -356.549
Base-Backbone interact. energy: -0.879
local terms energy: -381.153101
where:
bonds (distance) C4'-P energy: -74.688
bonds (distance) P-C4' energy: -67.578
flat angles C4'-P-C4' energy: -79.999
flat angles P-C4'-P energy: -56.570
tors. eta vs tors. theta energy: -102.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -1115.179476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.179476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.179476 (E_RNA)
where:
Base-Base interactions energy: -781.713
where: short stacking energy: -328.052
Base-Backbone interact. energy: -1.090
local terms energy: -332.375986
where:
bonds (distance) C4'-P energy: -67.466
bonds (distance) P-C4' energy: -64.135
flat angles C4'-P-C4' energy: -63.618
flat angles P-C4'-P energy: -46.810
tors. eta vs tors. theta energy: -90.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -1056.112558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.112558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.112558 (E_RNA)
where:
Base-Base interactions energy: -714.675
where: short stacking energy: -327.708
Base-Backbone interact. energy: -1.046
local terms energy: -340.391961
where:
bonds (distance) C4'-P energy: -68.175
bonds (distance) P-C4' energy: -56.687
flat angles C4'-P-C4' energy: -72.950
flat angles P-C4'-P energy: -48.336
tors. eta vs tors. theta energy: -94.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -996.353829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.353829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.353829 (E_RNA)
where:
Base-Base interactions energy: -668.927
where: short stacking energy: -295.537
Base-Backbone interact. energy: -1.642
local terms energy: -325.784629
where:
bonds (distance) C4'-P energy: -60.737
bonds (distance) P-C4' energy: -56.227
flat angles C4'-P-C4' energy: -73.314
flat angles P-C4'-P energy: -46.153
tors. eta vs tors. theta energy: -89.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -958.699001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.699001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.699001 (E_RNA)
where:
Base-Base interactions energy: -637.555
where: short stacking energy: -283.911
Base-Backbone interact. energy: -0.470
local terms energy: -320.674482
where:
bonds (distance) C4'-P energy: -70.474
bonds (distance) P-C4' energy: -57.647
flat angles C4'-P-C4' energy: -67.452
flat angles P-C4'-P energy: -37.709
tors. eta vs tors. theta energy: -87.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -874.022899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.022899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.022899 (E_RNA)
where:
Base-Base interactions energy: -584.411
where: short stacking energy: -252.388
Base-Backbone interact. energy: -1.388
local terms energy: -288.223928
where:
bonds (distance) C4'-P energy: -56.296
bonds (distance) P-C4' energy: -60.405
flat angles C4'-P-C4' energy: -63.791
flat angles P-C4'-P energy: -44.467
tors. eta vs tors. theta energy: -63.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -804.765757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.765757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.765757 (E_RNA)
where:
Base-Base interactions energy: -540.359
where: short stacking energy: -226.985
Base-Backbone interact. energy: -2.240
local terms energy: -262.166820
where:
bonds (distance) C4'-P energy: -62.281
bonds (distance) P-C4' energy: -57.745
flat angles C4'-P-C4' energy: -53.710
flat angles P-C4'-P energy: -32.406
tors. eta vs tors. theta energy: -56.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -781.029397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.029397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.029397 (E_RNA)
where:
Base-Base interactions energy: -503.787
where: short stacking energy: -214.056
Base-Backbone interact. energy: -0.856
local terms energy: -276.385549
where:
bonds (distance) C4'-P energy: -51.114
bonds (distance) P-C4' energy: -53.895
flat angles C4'-P-C4' energy: -50.454
flat angles P-C4'-P energy: -53.930
tors. eta vs tors. theta energy: -66.992
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: 5
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -426.851451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.851451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.851451 (E_RNA)
where:
Base-Base interactions energy: -219.014
where: short stacking energy: -107.456
Base-Backbone interact. energy: 0.377
local terms energy: -208.215064
where:
bonds (distance) C4'-P energy: -48.579
bonds (distance) P-C4' energy: -59.166
flat angles C4'-P-C4' energy: -57.384
flat angles P-C4'-P energy: -37.663
tors. eta vs tors. theta energy: -5.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -312.686732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.686732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.686732 (E_RNA)
where:
Base-Base interactions energy: -127.901
where: short stacking energy: -115.960
Base-Backbone interact. energy: 0.016
local terms energy: -184.801715
where:
bonds (distance) C4'-P energy: -49.393
bonds (distance) P-C4' energy: -71.492
flat angles C4'-P-C4' energy: -38.878
flat angles P-C4'-P energy: -22.296
tors. eta vs tors. theta energy: -2.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -1169.556525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.556525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.556525 (E_RNA)
where:
Base-Base interactions energy: -813.459
where: short stacking energy: -361.691
Base-Backbone interact. energy: -1.003
local terms energy: -355.095302
where:
bonds (distance) C4'-P energy: -66.267
bonds (distance) P-C4' energy: -65.416
flat angles C4'-P-C4' energy: -66.036
flat angles P-C4'-P energy: -53.251
tors. eta vs tors. theta energy: -104.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -1129.873278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.873278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.873278 (E_RNA)
where:
Base-Base interactions energy: -800.468
where: short stacking energy: -329.861
Base-Backbone interact. energy: -1.630
local terms energy: -327.775566
where:
bonds (distance) C4'-P energy: -67.995
bonds (distance) P-C4' energy: -55.582
flat angles C4'-P-C4' energy: -71.062
flat angles P-C4'-P energy: -47.383
tors. eta vs tors. theta energy: -85.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -1066.213102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.213102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.213102 (E_RNA)
where:
Base-Base interactions energy: -714.232
where: short stacking energy: -310.957
Base-Backbone interact. energy: -0.950
local terms energy: -351.030334
where:
bonds (distance) C4'-P energy: -60.452
bonds (distance) P-C4' energy: -68.255
flat angles C4'-P-C4' energy: -64.650
flat angles P-C4'-P energy: -55.575
tors. eta vs tors. theta energy: -102.098
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: 4, replica: 4
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -985.506978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.506978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.506978 (E_RNA)
where:
Base-Base interactions energy: -662.206
where: short stacking energy: -270.604
Base-Backbone interact. energy: -0.718
local terms energy: -322.583202
where:
bonds (distance) C4'-P energy: -55.953
bonds (distance) P-C4' energy: -63.131
flat angles C4'-P-C4' energy: -63.364
flat angles P-C4'-P energy: -57.081
tors. eta vs tors. theta energy: -83.054
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: 2
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -935.617204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.617204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.617204 (E_RNA)
where:
Base-Base interactions energy: -629.935
where: short stacking energy: -266.880
Base-Backbone interact. energy: -0.846
local terms energy: -304.836764
where:
bonds (distance) C4'-P energy: -55.670
bonds (distance) P-C4' energy: -69.838
flat angles C4'-P-C4' energy: -62.846
flat angles P-C4'-P energy: -44.064
tors. eta vs tors. theta energy: -72.419
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: 274
Temperature: 1.150000
Total energy: -876.102949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.102949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.102949 (E_RNA)
where:
Base-Base interactions energy: -594.760
where: short stacking energy: -243.456
Base-Backbone interact. energy: -2.658
local terms energy: -278.685314
where:
bonds (distance) C4'-P energy: -65.588
bonds (distance) P-C4' energy: -55.116
flat angles C4'-P-C4' energy: -64.839
flat angles P-C4'-P energy: -38.309
tors. eta vs tors. theta energy: -54.834
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: 9
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -857.757881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.757881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.757881 (E_RNA)
where:
Base-Base interactions energy: -593.232
where: short stacking energy: -248.083
Base-Backbone interact. energy: -1.062
local terms energy: -263.463685
where:
bonds (distance) C4'-P energy: -34.567
bonds (distance) P-C4' energy: -61.078
flat angles C4'-P-C4' energy: -67.399
flat angles P-C4'-P energy: -38.954
tors. eta vs tors. theta energy: -61.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -749.944149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.944149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.944149 (E_RNA)
where:
Base-Base interactions energy: -484.094
where: short stacking energy: -223.415
Base-Backbone interact. energy: -1.379
local terms energy: -264.470892
where:
bonds (distance) C4'-P energy: -52.286
bonds (distance) P-C4' energy: -61.339
flat angles C4'-P-C4' energy: -58.277
flat angles P-C4'-P energy: -34.533
tors. eta vs tors. theta energy: -58.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -429.452124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.452124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.452124 (E_RNA)
where:
Base-Base interactions energy: -239.987
where: short stacking energy: -115.316
Base-Backbone interact. energy: -0.328
local terms energy: -189.137132
where:
bonds (distance) C4'-P energy: -47.785
bonds (distance) P-C4' energy: -57.585
flat angles C4'-P-C4' energy: -61.451
flat angles P-C4'-P energy: -18.044
tors. eta vs tors. theta energy: -4.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -267.652413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.652413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.652413 (E_RNA)
where:
Base-Base interactions energy: -92.629
where: short stacking energy: -74.473
Base-Backbone interact. energy: 1.164
local terms energy: -176.187818
where:
bonds (distance) C4'-P energy: -54.010
bonds (distance) P-C4' energy: -62.785
flat angles C4'-P-C4' energy: -46.559
flat angles P-C4'-P energy: -24.968
tors. eta vs tors. theta energy: 12.135
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: 275
Temperature: 0.900000
Total energy: -1174.347254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.347254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.347254 (E_RNA)
where:
Base-Base interactions energy: -804.500
where: short stacking energy: -350.224
Base-Backbone interact. energy: -0.729
local terms energy: -369.118978
where:
bonds (distance) C4'-P energy: -69.710
bonds (distance) P-C4' energy: -73.037
flat angles C4'-P-C4' energy: -82.347
flat angles P-C4'-P energy: -41.561
tors. eta vs tors. theta energy: -102.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -1122.785564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.785564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.785564 (E_RNA)
where:
Base-Base interactions energy: -787.923
where: short stacking energy: -339.771
Base-Backbone interact. energy: 0.356
local terms energy: -335.218834
where:
bonds (distance) C4'-P energy: -66.883
bonds (distance) P-C4' energy: -50.526
flat angles C4'-P-C4' energy: -72.982
flat angles P-C4'-P energy: -48.280
tors. eta vs tors. theta energy: -96.548
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: 275
Temperature: 1.000000
Total energy: -1069.430058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.430058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.430058 (E_RNA)
where:
Base-Base interactions energy: -741.058
where: short stacking energy: -314.907
Base-Backbone interact. energy: 2.137
local terms energy: -330.509451
where:
bonds (distance) C4'-P energy: -59.460
bonds (distance) P-C4' energy: -60.879
flat angles C4'-P-C4' energy: -69.618
flat angles P-C4'-P energy: -48.110
tors. eta vs tors. theta energy: -92.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -1018.320562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.320562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.320562 (E_RNA)
where:
Base-Base interactions energy: -679.033
where: short stacking energy: -320.761
Base-Backbone interact. energy: -0.759
local terms energy: -338.528402
where:
bonds (distance) C4'-P energy: -65.463
bonds (distance) P-C4' energy: -62.584
flat angles C4'-P-C4' energy: -78.995
flat angles P-C4'-P energy: -40.548
tors. eta vs tors. theta energy: -90.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -946.066771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.066771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.066771 (E_RNA)
where:
Base-Base interactions energy: -634.215
where: short stacking energy: -284.424
Base-Backbone interact. energy: -0.321
local terms energy: -311.530336
where:
bonds (distance) C4'-P energy: -54.359
bonds (distance) P-C4' energy: -70.921
flat angles C4'-P-C4' energy: -60.871
flat angles P-C4'-P energy: -52.818
tors. eta vs tors. theta energy: -72.562
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: 6, replica: 9
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -876.138187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.138187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.138187 (E_RNA)
where:
Base-Base interactions energy: -588.337
where: short stacking energy: -259.381
Base-Backbone interact. energy: -1.891
local terms energy: -285.909511
where:
bonds (distance) C4'-P energy: -52.268
bonds (distance) P-C4' energy: -66.952
flat angles C4'-P-C4' energy: -59.654
flat angles P-C4'-P energy: -49.714
tors. eta vs tors. theta energy: -57.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -793.994996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.994996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.994996 (E_RNA)
where:
Base-Base interactions energy: -526.832
where: short stacking energy: -234.314
Base-Backbone interact. energy: -3.856
local terms energy: -263.307667
where:
bonds (distance) C4'-P energy: -57.689
bonds (distance) P-C4' energy: -50.401
flat angles C4'-P-C4' energy: -70.411
flat angles P-C4'-P energy: -34.063
tors. eta vs tors. theta energy: -50.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -701.800857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.800857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.800857 (E_RNA)
where:
Base-Base interactions energy: -432.033
where: short stacking energy: -195.202
Base-Backbone interact. energy: -0.339
local terms energy: -269.428463
where:
bonds (distance) C4'-P energy: -61.075
bonds (distance) P-C4' energy: -65.654
flat angles C4'-P-C4' energy: -55.258
flat angles P-C4'-P energy: -42.824
tors. eta vs tors. theta energy: -44.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -457.456294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.456294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.456294 (E_RNA)
where:
Base-Base interactions energy: -237.955
where: short stacking energy: -131.332
Base-Backbone interact. energy: -0.477
local terms energy: -219.024846
where:
bonds (distance) C4'-P energy: -59.011
bonds (distance) P-C4' energy: -64.242
flat angles C4'-P-C4' energy: -51.608
flat angles P-C4'-P energy: -31.386
tors. eta vs tors. theta energy: -12.778
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: 10, replica: 7
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -278.175630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.175630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.175630 (E_RNA)
where:
Base-Base interactions energy: -90.345
where: short stacking energy: -90.950
Base-Backbone interact. energy: 2.506
local terms energy: -190.336391
where:
bonds (distance) C4'-P energy: -55.582
bonds (distance) P-C4' energy: -68.202
flat angles C4'-P-C4' energy: -41.363
flat angles P-C4'-P energy: -25.022
tors. eta vs tors. theta energy: -0.167
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: 1
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -1166.623162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.623162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.623162 (E_RNA)
where:
Base-Base interactions energy: -795.607
where: short stacking energy: -346.297
Base-Backbone interact. energy: 0.465
local terms energy: -371.480904
where:
bonds (distance) C4'-P energy: -64.788
bonds (distance) P-C4' energy: -67.805
flat angles C4'-P-C4' energy: -79.304
flat angles P-C4'-P energy: -54.383
tors. eta vs tors. theta energy: -105.201
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: 8
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -1149.659561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.659561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.659561 (E_RNA)
where:
Base-Base interactions energy: -810.145
where: short stacking energy: -341.299
Base-Backbone interact. energy: -3.281
local terms energy: -336.233546
where:
bonds (distance) C4'-P energy: -61.282
bonds (distance) P-C4' energy: -70.175
flat angles C4'-P-C4' energy: -66.111
flat angles P-C4'-P energy: -43.162
tors. eta vs tors. theta energy: -95.504
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: 276
Temperature: 1.000000
Total energy: -1092.574012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.574012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.574012 (E_RNA)
where:
Base-Base interactions energy: -758.392
where: short stacking energy: -347.881
Base-Backbone interact. energy: 3.677
local terms energy: -337.859382
where:
bonds (distance) C4'-P energy: -63.765
bonds (distance) P-C4' energy: -64.578
flat angles C4'-P-C4' energy: -71.747
flat angles P-C4'-P energy: -40.717
tors. eta vs tors. theta energy: -97.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -1023.115786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.115786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.115786 (E_RNA)
where:
Base-Base interactions energy: -693.653
where: short stacking energy: -317.445
Base-Backbone interact. energy: 0.996
local terms energy: -330.458409
where:
bonds (distance) C4'-P energy: -52.926
bonds (distance) P-C4' energy: -65.817
flat angles C4'-P-C4' energy: -73.605
flat angles P-C4'-P energy: -50.148
tors. eta vs tors. theta energy: -87.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -962.477486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.477486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.477486 (E_RNA)
where:
Base-Base interactions energy: -639.477
where: short stacking energy: -309.120
Base-Backbone interact. energy: 0.908
local terms energy: -323.908920
where:
bonds (distance) C4'-P energy: -59.999
bonds (distance) P-C4' energy: -65.488
flat angles C4'-P-C4' energy: -66.016
flat angles P-C4'-P energy: -38.960
tors. eta vs tors. theta energy: -93.446
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: 9
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -848.127092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.127092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.127092 (E_RNA)
where:
Base-Base interactions energy: -582.429
where: short stacking energy: -239.558
Base-Backbone interact. energy: -2.667
local terms energy: -263.030617
where:
bonds (distance) C4'-P energy: -55.932
bonds (distance) P-C4' energy: -57.870
flat angles C4'-P-C4' energy: -62.665
flat angles P-C4'-P energy: -28.364
tors. eta vs tors. theta energy: -58.199
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: 6
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -768.460230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.460230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.460230 (E_RNA)
where:
Base-Base interactions energy: -504.018
where: short stacking energy: -231.937
Base-Backbone interact. energy: -0.568
local terms energy: -263.874752
where:
bonds (distance) C4'-P energy: -62.569
bonds (distance) P-C4' energy: -47.559
flat angles C4'-P-C4' energy: -63.169
flat angles P-C4'-P energy: -44.315
tors. eta vs tors. theta energy: -46.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -757.884268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.884268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.884268 (E_RNA)
where:
Base-Base interactions energy: -488.176
where: short stacking energy: -210.466
Base-Backbone interact. energy: 1.352
local terms energy: -271.059856
where:
bonds (distance) C4'-P energy: -53.095
bonds (distance) P-C4' energy: -69.751
flat angles C4'-P-C4' energy: -64.156
flat angles P-C4'-P energy: -30.912
tors. eta vs tors. theta energy: -53.146
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: 276
Temperature: 1.300000
Total energy: -467.110062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.110062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.110062 (E_RNA)
where:
Base-Base interactions energy: -242.750
where: short stacking energy: -128.810
Base-Backbone interact. energy: -0.284
local terms energy: -224.075770
where:
bonds (distance) C4'-P energy: -54.120
bonds (distance) P-C4' energy: -58.516
flat angles C4'-P-C4' energy: -54.184
flat angles P-C4'-P energy: -35.323
tors. eta vs tors. theta energy: -21.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -301.711715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.711715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.711715 (E_RNA)
where:
Base-Base interactions energy: -127.566
where: short stacking energy: -83.534
Base-Backbone interact. energy: -0.392
local terms energy: -173.753576
where:
bonds (distance) C4'-P energy: -50.117
bonds (distance) P-C4' energy: -67.145
flat angles C4'-P-C4' energy: -40.497
flat angles P-C4'-P energy: -21.707
tors. eta vs tors. theta energy: 5.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -1169.467844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.467844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.467844 (E_RNA)
where:
Base-Base interactions energy: -805.327
where: short stacking energy: -346.388
Base-Backbone interact. energy: -0.646
local terms energy: -363.494707
where:
bonds (distance) C4'-P energy: -68.917
bonds (distance) P-C4' energy: -59.072
flat angles C4'-P-C4' energy: -75.489
flat angles P-C4'-P energy: -55.703
tors. eta vs tors. theta energy: -104.314
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: 8
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -1132.693048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.693048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.693048 (E_RNA)
where:
Base-Base interactions energy: -778.903
where: short stacking energy: -332.749
Base-Backbone interact. energy: -0.484
local terms energy: -353.306376
where:
bonds (distance) C4'-P energy: -64.086
bonds (distance) P-C4' energy: -72.905
flat angles C4'-P-C4' energy: -73.092
flat angles P-C4'-P energy: -48.217
tors. eta vs tors. theta energy: -95.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -1056.926957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.926957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.926957 (E_RNA)
where:
Base-Base interactions energy: -714.195
where: short stacking energy: -317.486
Base-Backbone interact. energy: -1.328
local terms energy: -341.403505
where:
bonds (distance) C4'-P energy: -64.792
bonds (distance) P-C4' energy: -66.602
flat angles C4'-P-C4' energy: -74.327
flat angles P-C4'-P energy: -52.550
tors. eta vs tors. theta energy: -83.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -1007.766283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.766283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.766283 (E_RNA)
where:
Base-Base interactions energy: -668.314
where: short stacking energy: -292.834
Base-Backbone interact. energy: -0.146
local terms energy: -339.306736
where:
bonds (distance) C4'-P energy: -60.755
bonds (distance) P-C4' energy: -61.654
flat angles C4'-P-C4' energy: -79.471
flat angles P-C4'-P energy: -49.241
tors. eta vs tors. theta energy: -88.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -949.511461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.511461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.511461 (E_RNA)
where:
Base-Base interactions energy: -629.171
where: short stacking energy: -278.055
Base-Backbone interact. energy: 0.088
local terms energy: -320.428354
where:
bonds (distance) C4'-P energy: -57.902
bonds (distance) P-C4' energy: -64.400
flat angles C4'-P-C4' energy: -69.762
flat angles P-C4'-P energy: -52.059
tors. eta vs tors. theta energy: -76.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -859.762005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.762005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.762005 (E_RNA)
where:
Base-Base interactions energy: -589.836
where: short stacking energy: -245.680
Base-Backbone interact. energy: -0.791
local terms energy: -269.134686
where:
bonds (distance) C4'-P energy: -54.835
bonds (distance) P-C4' energy: -52.416
flat angles C4'-P-C4' energy: -68.176
flat angles P-C4'-P energy: -37.736
tors. eta vs tors. theta energy: -55.972
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: 7, replica: 6
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -761.453930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.453930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.453930 (E_RNA)
where:
Base-Base interactions energy: -499.300
where: short stacking energy: -222.423
Base-Backbone interact. energy: -0.622
local terms energy: -261.532581
where:
bonds (distance) C4'-P energy: -61.882
bonds (distance) P-C4' energy: -56.460
flat angles C4'-P-C4' energy: -58.802
flat angles P-C4'-P energy: -40.907
tors. eta vs tors. theta energy: -43.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -746.307156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.307156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.307156 (E_RNA)
where:
Base-Base interactions energy: -474.669
where: short stacking energy: -202.257
Base-Backbone interact. energy: 1.865
local terms energy: -273.502933
where:
bonds (distance) C4'-P energy: -50.511
bonds (distance) P-C4' energy: -66.357
flat angles C4'-P-C4' energy: -68.062
flat angles P-C4'-P energy: -35.774
tors. eta vs tors. theta energy: -52.799
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: 5
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -433.373553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.373553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.373553 (E_RNA)
where:
Base-Base interactions energy: -210.619
where: short stacking energy: -111.100
Base-Backbone interact. energy: 1.110
local terms energy: -223.864532
where:
bonds (distance) C4'-P energy: -57.911
bonds (distance) P-C4' energy: -58.795
flat angles C4'-P-C4' energy: -55.299
flat angles P-C4'-P energy: -40.553
tors. eta vs tors. theta energy: -11.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -328.933183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.933183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.933183 (E_RNA)
where:
Base-Base interactions energy: -144.613
where: short stacking energy: -123.917
Base-Backbone interact. energy: 3.007
local terms energy: -187.326345
where:
bonds (distance) C4'-P energy: -45.097
bonds (distance) P-C4' energy: -64.915
flat angles C4'-P-C4' energy: -50.702
flat angles P-C4'-P energy: -20.147
tors. eta vs tors. theta energy: -6.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -1167.173434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.173434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.173434 (E_RNA)
where:
Base-Base interactions energy: -806.729
where: short stacking energy: -342.139
Base-Backbone interact. energy: -2.297
local terms energy: -358.147636
where:
bonds (distance) C4'-P energy: -61.084
bonds (distance) P-C4' energy: -62.531
flat angles C4'-P-C4' energy: -77.217
flat angles P-C4'-P energy: -55.661
tors. eta vs tors. theta energy: -101.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -1125.990415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.990415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.990415 (E_RNA)
where:
Base-Base interactions energy: -787.927
where: short stacking energy: -334.963
Base-Backbone interact. energy: 0.250
local terms energy: -338.312623
where:
bonds (distance) C4'-P energy: -68.630
bonds (distance) P-C4' energy: -64.393
flat angles C4'-P-C4' energy: -71.795
flat angles P-C4'-P energy: -41.959
tors. eta vs tors. theta energy: -91.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -1078.753787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.753787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.753787 (E_RNA)
where:
Base-Base interactions energy: -753.817
where: short stacking energy: -330.979
Base-Backbone interact. energy: -1.160
local terms energy: -323.776920
where:
bonds (distance) C4'-P energy: -50.744
bonds (distance) P-C4' energy: -57.779
flat angles C4'-P-C4' energy: -80.333
flat angles P-C4'-P energy: -45.199
tors. eta vs tors. theta energy: -89.722
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: 4
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -1029.256387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.256387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.256387 (E_RNA)
where:
Base-Base interactions energy: -697.730
where: short stacking energy: -310.776
Base-Backbone interact. energy: -1.840
local terms energy: -329.686337
where:
bonds (distance) C4'-P energy: -65.282
bonds (distance) P-C4' energy: -63.409
flat angles C4'-P-C4' energy: -71.098
flat angles P-C4'-P energy: -43.836
tors. eta vs tors. theta energy: -86.061
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: 5, replica: 2
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -978.562405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.562405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.562405 (E_RNA)
where:
Base-Base interactions energy: -663.620
where: short stacking energy: -307.777
Base-Backbone interact. energy: -2.419
local terms energy: -312.523068
where:
bonds (distance) C4'-P energy: -50.515
bonds (distance) P-C4' energy: -51.683
flat angles C4'-P-C4' energy: -72.435
flat angles P-C4'-P energy: -49.388
tors. eta vs tors. theta energy: -88.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -869.616937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.616937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.616937 (E_RNA)
where:
Base-Base interactions energy: -582.918
where: short stacking energy: -255.728
Base-Backbone interact. energy: -2.029
local terms energy: -284.669790
where:
bonds (distance) C4'-P energy: -59.823
bonds (distance) P-C4' energy: -65.725
flat angles C4'-P-C4' energy: -52.312
flat angles P-C4'-P energy: -39.430
tors. eta vs tors. theta energy: -67.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -769.122457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.122457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.122457 (E_RNA)
where:
Base-Base interactions energy: -500.176
where: short stacking energy: -218.216
Base-Backbone interact. energy: -0.939
local terms energy: -268.008111
where:
bonds (distance) C4'-P energy: -65.882
bonds (distance) P-C4' energy: -55.431
flat angles C4'-P-C4' energy: -63.774
flat angles P-C4'-P energy: -37.238
tors. eta vs tors. theta energy: -45.682
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: 3
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -761.548185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.548185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.548185 (E_RNA)
where:
Base-Base interactions energy: -500.614
where: short stacking energy: -204.204
Base-Backbone interact. energy: 2.087
local terms energy: -263.020757
where:
bonds (distance) C4'-P energy: -48.615
bonds (distance) P-C4' energy: -63.173
flat angles C4'-P-C4' energy: -70.315
flat angles P-C4'-P energy: -42.680
tors. eta vs tors. theta energy: -38.237
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: 5
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -448.223676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.223676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.223676 (E_RNA)
where:
Base-Base interactions energy: -241.497
where: short stacking energy: -128.625
Base-Backbone interact. energy: -0.912
local terms energy: -205.814902
where:
bonds (distance) C4'-P energy: -59.685
bonds (distance) P-C4' energy: -47.343
flat angles C4'-P-C4' energy: -51.285
flat angles P-C4'-P energy: -26.573
tors. eta vs tors. theta energy: -20.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -285.982637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.982637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.982637 (E_RNA)
where:
Base-Base interactions energy: -97.037
where: short stacking energy: -87.257
Base-Backbone interact. energy: 2.886
local terms energy: -191.831433
where:
bonds (distance) C4'-P energy: -50.368
bonds (distance) P-C4' energy: -63.299
flat angles C4'-P-C4' energy: -57.113
flat angles P-C4'-P energy: -21.845
tors. eta vs tors. theta energy: 0.794
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: 1
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -1169.438449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.438449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.438449 (E_RNA)
where:
Base-Base interactions energy: -796.867
where: short stacking energy: -368.105
Base-Backbone interact. energy: -1.420
local terms energy: -371.150677
where:
bonds (distance) C4'-P energy: -69.908
bonds (distance) P-C4' energy: -65.592
flat angles C4'-P-C4' energy: -78.700
flat angles P-C4'-P energy: -50.990
tors. eta vs tors. theta energy: -105.960
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: 8
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -1121.758901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.758901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.758901 (E_RNA)
where:
Base-Base interactions energy: -782.615
where: short stacking energy: -337.028
Base-Backbone interact. energy: -2.390
local terms energy: -336.754102
where:
bonds (distance) C4'-P energy: -69.297
bonds (distance) P-C4' energy: -62.961
flat angles C4'-P-C4' energy: -65.489
flat angles P-C4'-P energy: -45.822
tors. eta vs tors. theta energy: -93.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -1056.746998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.746998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.746998 (E_RNA)
where:
Base-Base interactions energy: -728.570
where: short stacking energy: -309.341
Base-Backbone interact. energy: -1.253
local terms energy: -326.924316
where:
bonds (distance) C4'-P energy: -62.104
bonds (distance) P-C4' energy: -57.986
flat angles C4'-P-C4' energy: -71.468
flat angles P-C4'-P energy: -47.392
tors. eta vs tors. theta energy: -87.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -987.809316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.809316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.809316 (E_RNA)
where:
Base-Base interactions energy: -660.463
where: short stacking energy: -311.354
Base-Backbone interact. energy: -1.269
local terms energy: -326.076805
where:
bonds (distance) C4'-P energy: -58.763
bonds (distance) P-C4' energy: -56.517
flat angles C4'-P-C4' energy: -73.895
flat angles P-C4'-P energy: -46.307
tors. eta vs tors. theta energy: -90.595
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: 4
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -952.379853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.379853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.379853 (E_RNA)
where:
Base-Base interactions energy: -645.845
where: short stacking energy: -299.017
Base-Backbone interact. energy: -1.978
local terms energy: -304.556824
where:
bonds (distance) C4'-P energy: -53.680
bonds (distance) P-C4' energy: -69.408
flat angles C4'-P-C4' energy: -59.640
flat angles P-C4'-P energy: -45.691
tors. eta vs tors. theta energy: -76.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -834.494690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.494690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.494690 (E_RNA)
where:
Base-Base interactions energy: -573.313
where: short stacking energy: -232.076
Base-Backbone interact. energy: 1.335
local terms energy: -262.516327
where:
bonds (distance) C4'-P energy: -54.858
bonds (distance) P-C4' energy: -63.616
flat angles C4'-P-C4' energy: -45.514
flat angles P-C4'-P energy: -47.028
tors. eta vs tors. theta energy: -51.501
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: 7, replica: 6
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -753.026695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.026695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.026695 (E_RNA)
where:
Base-Base interactions energy: -482.028
where: short stacking energy: -221.579
Base-Backbone interact. energy: -1.293
local terms energy: -269.706022
where:
bonds (distance) C4'-P energy: -49.216
bonds (distance) P-C4' energy: -67.176
flat angles C4'-P-C4' energy: -63.258
flat angles P-C4'-P energy: -40.220
tors. eta vs tors. theta energy: -49.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -770.732773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.732773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.732773 (E_RNA)
where:
Base-Base interactions energy: -508.711
where: short stacking energy: -221.185
Base-Backbone interact. energy: -1.596
local terms energy: -260.426188
where:
bonds (distance) C4'-P energy: -58.313
bonds (distance) P-C4' energy: -50.751
flat angles C4'-P-C4' energy: -44.432
flat angles P-C4'-P energy: -51.560
tors. eta vs tors. theta energy: -55.370
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: 5
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -436.914657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.914657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.914657 (E_RNA)
where:
Base-Base interactions energy: -238.146
where: short stacking energy: -134.463
Base-Backbone interact. energy: 7.728
local terms energy: -206.496148
where:
bonds (distance) C4'-P energy: -51.886
bonds (distance) P-C4' energy: -59.950
flat angles C4'-P-C4' energy: -53.233
flat angles P-C4'-P energy: -23.213
tors. eta vs tors. theta energy: -18.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -307.491515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.491515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.491515 (E_RNA)
where:
Base-Base interactions energy: -123.397
where: short stacking energy: -92.623
Base-Backbone interact. energy: 6.972
local terms energy: -191.066622
where:
bonds (distance) C4'-P energy: -58.699
bonds (distance) P-C4' energy: -42.779
flat angles C4'-P-C4' energy: -50.157
flat angles P-C4'-P energy: -33.481
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: 1
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -1162.863889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.863889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.863889 (E_RNA)
where:
Base-Base interactions energy: -790.629
where: short stacking energy: -346.951
Base-Backbone interact. energy: -0.999
local terms energy: -371.235927
where:
bonds (distance) C4'-P energy: -66.145
bonds (distance) P-C4' energy: -70.197
flat angles C4'-P-C4' energy: -73.596
flat angles P-C4'-P energy: -57.474
tors. eta vs tors. theta energy: -103.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -1133.352867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.352867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.352867 (E_RNA)
where:
Base-Base interactions energy: -783.626
where: short stacking energy: -308.161
Base-Backbone interact. energy: -1.847
local terms energy: -347.879888
where:
bonds (distance) C4'-P energy: -73.365
bonds (distance) P-C4' energy: -65.896
flat angles C4'-P-C4' energy: -71.088
flat angles P-C4'-P energy: -51.973
tors. eta vs tors. theta energy: -85.557
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: 3, replica: 10
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -1046.844934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.844934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.844934 (E_RNA)
where:
Base-Base interactions energy: -721.620
where: short stacking energy: -315.809
Base-Backbone interact. energy: -1.231
local terms energy: -323.993625
where:
bonds (distance) C4'-P energy: -61.046
bonds (distance) P-C4' energy: -57.140
flat angles C4'-P-C4' energy: -74.901
flat angles P-C4'-P energy: -46.975
tors. eta vs tors. theta energy: -83.931
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: 4, replica: 2
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -1001.257780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.257780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.257780 (E_RNA)
where:
Base-Base interactions energy: -672.366
where: short stacking energy: -308.859
Base-Backbone interact. energy: -2.790
local terms energy: -326.101954
where:
bonds (distance) C4'-P energy: -67.788
bonds (distance) P-C4' energy: -64.142
flat angles C4'-P-C4' energy: -65.301
flat angles P-C4'-P energy: -46.841
tors. eta vs tors. theta energy: -82.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -982.190654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.190654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.190654 (E_RNA)
where:
Base-Base interactions energy: -693.030
where: short stacking energy: -295.146
Base-Backbone interact. energy: -0.837
local terms energy: -288.323465
where:
bonds (distance) C4'-P energy: -50.402
bonds (distance) P-C4' energy: -54.820
flat angles C4'-P-C4' energy: -67.599
flat angles P-C4'-P energy: -37.427
tors. eta vs tors. theta energy: -78.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -859.388721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.388721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.388721 (E_RNA)
where:
Base-Base interactions energy: -591.532
where: short stacking energy: -259.603
Base-Backbone interact. energy: -3.848
local terms energy: -264.008744
where:
bonds (distance) C4'-P energy: -53.029
bonds (distance) P-C4' energy: -52.968
flat angles C4'-P-C4' energy: -59.955
flat angles P-C4'-P energy: -32.474
tors. eta vs tors. theta energy: -65.582
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: 7, replica: 6
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -744.658578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.658578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.658578 (E_RNA)
where:
Base-Base interactions energy: -512.059
where: short stacking energy: -234.001
Base-Backbone interact. energy: 0.516
local terms energy: -233.115052
where:
bonds (distance) C4'-P energy: -47.079
bonds (distance) P-C4' energy: -67.336
flat angles C4'-P-C4' energy: -52.676
flat angles P-C4'-P energy: -30.998
tors. eta vs tors. theta energy: -35.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -760.722255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.722255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.722255 (E_RNA)
where:
Base-Base interactions energy: -505.987
where: short stacking energy: -228.770
Base-Backbone interact. energy: -1.275
local terms energy: -253.460283
where:
bonds (distance) C4'-P energy: -56.409
bonds (distance) P-C4' energy: -60.752
flat angles C4'-P-C4' energy: -52.391
flat angles P-C4'-P energy: -32.950
tors. eta vs tors. theta energy: -50.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -447.469747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.469747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.469747 (E_RNA)
where:
Base-Base interactions energy: -241.407
where: short stacking energy: -139.370
Base-Backbone interact. energy: -2.576
local terms energy: -203.487216
where:
bonds (distance) C4'-P energy: -53.080
bonds (distance) P-C4' energy: -54.675
flat angles C4'-P-C4' energy: -46.433
flat angles P-C4'-P energy: -33.828
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: 10, replica: 7
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -272.794318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.794318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.794318 (E_RNA)
where:
Base-Base interactions energy: -92.464
where: short stacking energy: -83.476
Base-Backbone interact. energy: -2.485
local terms energy: -177.845129
where:
bonds (distance) C4'-P energy: -30.707
bonds (distance) P-C4' energy: -74.069
flat angles C4'-P-C4' energy: -49.851
flat angles P-C4'-P energy: -26.054
tors. eta vs tors. theta energy: 2.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -1153.802116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.802116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.802116 (E_RNA)
where:
Base-Base interactions energy: -798.778
where: short stacking energy: -356.540
Base-Backbone interact. energy: -0.490
local terms energy: -354.533656
where:
bonds (distance) C4'-P energy: -65.484
bonds (distance) P-C4' energy: -60.189
flat angles C4'-P-C4' energy: -71.820
flat angles P-C4'-P energy: -55.690
tors. eta vs tors. theta energy: -101.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -1123.844379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.844379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.844379 (E_RNA)
where:
Base-Base interactions energy: -779.524
where: short stacking energy: -318.476
Base-Backbone interact. energy: -0.414
local terms energy: -343.906384
where:
bonds (distance) C4'-P energy: -64.645
bonds (distance) P-C4' energy: -59.911
flat angles C4'-P-C4' energy: -81.924
flat angles P-C4'-P energy: -48.678
tors. eta vs tors. theta energy: -88.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -1046.416831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.416831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.416831 (E_RNA)
where:
Base-Base interactions energy: -704.984
where: short stacking energy: -302.385
Base-Backbone interact. energy: -1.629
local terms energy: -339.803870
where:
bonds (distance) C4'-P energy: -63.419
bonds (distance) P-C4' energy: -72.339
flat angles C4'-P-C4' energy: -67.941
flat angles P-C4'-P energy: -50.850
tors. eta vs tors. theta energy: -85.255
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: 4, replica: 2
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -1017.127192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.127192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.127192 (E_RNA)
where:
Base-Base interactions energy: -697.537
where: short stacking energy: -303.152
Base-Backbone interact. energy: -1.640
local terms energy: -317.950070
where:
bonds (distance) C4'-P energy: -51.960
bonds (distance) P-C4' energy: -61.383
flat angles C4'-P-C4' energy: -70.845
flat angles P-C4'-P energy: -50.721
tors. eta vs tors. theta energy: -83.041
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: 5, replica: 4
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -950.263817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.263817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.263817 (E_RNA)
where:
Base-Base interactions energy: -636.599
where: short stacking energy: -282.282
Base-Backbone interact. energy: -1.052
local terms energy: -312.612778
where:
bonds (distance) C4'-P energy: -58.942
bonds (distance) P-C4' energy: -56.476
flat angles C4'-P-C4' energy: -68.693
flat angles P-C4'-P energy: -55.331
tors. eta vs tors. theta energy: -73.171
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: 9
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -868.625083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.625083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.625083 (E_RNA)
where:
Base-Base interactions energy: -586.491
where: short stacking energy: -256.934
Base-Backbone interact. energy: -1.822
local terms energy: -280.311828
where:
bonds (distance) C4'-P energy: -55.714
bonds (distance) P-C4' energy: -62.266
flat angles C4'-P-C4' energy: -67.400
flat angles P-C4'-P energy: -37.078
tors. eta vs tors. theta energy: -57.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -750.378969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.378969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.378969 (E_RNA)
where:
Base-Base interactions energy: -471.994
where: short stacking energy: -216.151
Base-Backbone interact. energy: -0.045
local terms energy: -278.340698
where:
bonds (distance) C4'-P energy: -63.365
bonds (distance) P-C4' energy: -69.096
flat angles C4'-P-C4' energy: -56.566
flat angles P-C4'-P energy: -38.348
tors. eta vs tors. theta energy: -50.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -736.415696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.415696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.415696 (E_RNA)
where:
Base-Base interactions energy: -492.046
where: short stacking energy: -201.304
Base-Backbone interact. energy: 0.316
local terms energy: -244.685785
where:
bonds (distance) C4'-P energy: -49.556
bonds (distance) P-C4' energy: -40.658
flat angles C4'-P-C4' energy: -65.883
flat angles P-C4'-P energy: -35.612
tors. eta vs tors. theta energy: -52.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -465.383216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.383216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.383216 (E_RNA)
where:
Base-Base interactions energy: -244.582
where: short stacking energy: -145.156
Base-Backbone interact. energy: -0.603
local terms energy: -220.198603
where:
bonds (distance) C4'-P energy: -48.966
bonds (distance) P-C4' energy: -67.925
flat angles C4'-P-C4' energy: -52.547
flat angles P-C4'-P energy: -25.170
tors. eta vs tors. theta energy: -25.590
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: 7
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -279.704464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.704464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.704464 (E_RNA)
where:
Base-Base interactions energy: -95.864
where: short stacking energy: -81.537
Base-Backbone interact. energy: 2.579
local terms energy: -186.419916
where:
bonds (distance) C4'-P energy: -49.260
bonds (distance) P-C4' energy: -59.971
flat angles C4'-P-C4' energy: -45.163
flat angles P-C4'-P energy: -37.865
tors. eta vs tors. theta energy: 5.839
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: 1, replica: 1
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -1165.700784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.700784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.700784 (E_RNA)
where:
Base-Base interactions energy: -805.290
where: short stacking energy: -356.388
Base-Backbone interact. energy: -0.152
local terms energy: -360.258932
where:
bonds (distance) C4'-P energy: -66.738
bonds (distance) P-C4' energy: -63.759
flat angles C4'-P-C4' energy: -75.743
flat angles P-C4'-P energy: -50.780
tors. eta vs tors. theta energy: -103.238
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: 8
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -1126.145836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.145836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.145836 (E_RNA)
where:
Base-Base interactions energy: -773.148
where: short stacking energy: -337.096
Base-Backbone interact. energy: -3.010
local terms energy: -349.988377
where:
bonds (distance) C4'-P energy: -62.800
bonds (distance) P-C4' energy: -68.828
flat angles C4'-P-C4' energy: -72.941
flat angles P-C4'-P energy: -54.688
tors. eta vs tors. theta energy: -90.731
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: 10
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -1085.289110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.289110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.289110 (E_RNA)
where:
Base-Base interactions energy: -751.406
where: short stacking energy: -342.586
Base-Backbone interact. energy: -1.817
local terms energy: -332.066846
where:
bonds (distance) C4'-P energy: -63.057
bonds (distance) P-C4' energy: -64.639
flat angles C4'-P-C4' energy: -66.877
flat angles P-C4'-P energy: -49.337
tors. eta vs tors. theta energy: -88.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -1012.931646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.931646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.931646 (E_RNA)
where:
Base-Base interactions energy: -700.590
where: short stacking energy: -312.272
Base-Backbone interact. energy: -0.488
local terms energy: -311.854008
where:
bonds (distance) C4'-P energy: -64.145
bonds (distance) P-C4' energy: -50.373
flat angles C4'-P-C4' energy: -65.592
flat angles P-C4'-P energy: -48.367
tors. eta vs tors. theta energy: -83.376
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: 4
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -973.210227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.210227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.210227 (E_RNA)
where:
Base-Base interactions energy: -660.176
where: short stacking energy: -286.913
Base-Backbone interact. energy: 2.558
local terms energy: -315.591872
where:
bonds (distance) C4'-P energy: -57.324
bonds (distance) P-C4' energy: -70.021
flat angles C4'-P-C4' energy: -71.201
flat angles P-C4'-P energy: -42.361
tors. eta vs tors. theta energy: -74.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -845.479796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.479796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.479796 (E_RNA)
where:
Base-Base interactions energy: -575.047
where: short stacking energy: -228.142
Base-Backbone interact. energy: -1.279
local terms energy: -269.154305
where:
bonds (distance) C4'-P energy: -57.988
bonds (distance) P-C4' energy: -56.066
flat angles C4'-P-C4' energy: -64.411
flat angles P-C4'-P energy: -34.592
tors. eta vs tors. theta energy: -56.097
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: 282
Temperature: 1.200000
Total energy: -768.908150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.908150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.908150 (E_RNA)
where:
Base-Base interactions energy: -510.581
where: short stacking energy: -239.488
Base-Backbone interact. energy: 1.499
local terms energy: -259.826127
where:
bonds (distance) C4'-P energy: -41.303
bonds (distance) P-C4' energy: -57.815
flat angles C4'-P-C4' energy: -61.512
flat angles P-C4'-P energy: -43.772
tors. eta vs tors. theta energy: -55.424
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: 8, replica: 6
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -715.312442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.312442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.312442 (E_RNA)
where:
Base-Base interactions energy: -474.651
where: short stacking energy: -214.997
Base-Backbone interact. energy: -1.475
local terms energy: -239.186288
where:
bonds (distance) C4'-P energy: -55.993
bonds (distance) P-C4' energy: -57.049
flat angles C4'-P-C4' energy: -61.091
flat angles P-C4'-P energy: -33.880
tors. eta vs tors. theta energy: -31.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -448.318094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.318094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.318094 (E_RNA)
where:
Base-Base interactions energy: -233.290
where: short stacking energy: -129.187
Base-Backbone interact. energy: -1.457
local terms energy: -213.570566
where:
bonds (distance) C4'-P energy: -48.330
bonds (distance) P-C4' energy: -61.358
flat angles C4'-P-C4' energy: -51.533
flat angles P-C4'-P energy: -35.682
tors. eta vs tors. theta energy: -16.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -340.185515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.185515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.185515 (E_RNA)
where:
Base-Base interactions energy: -146.631
where: short stacking energy: -73.712
Base-Backbone interact. energy: -0.212
local terms energy: -193.342905
where:
bonds (distance) C4'-P energy: -59.677
bonds (distance) P-C4' energy: -45.614
flat angles C4'-P-C4' energy: -64.201
flat angles P-C4'-P energy: -36.930
tors. eta vs tors. theta energy: 13.079
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: 1
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -1156.989507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.989507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.989507 (E_RNA)
where:
Base-Base interactions energy: -782.257
where: short stacking energy: -352.917
Base-Backbone interact. energy: -2.823
local terms energy: -371.909895
where:
bonds (distance) C4'-P energy: -66.106
bonds (distance) P-C4' energy: -77.498
flat angles C4'-P-C4' energy: -80.261
flat angles P-C4'-P energy: -47.994
tors. eta vs tors. theta energy: -100.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -1117.063604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.063604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.063604 (E_RNA)
where:
Base-Base interactions energy: -780.954
where: short stacking energy: -323.421
Base-Backbone interact. energy: -0.631
local terms energy: -335.478954
where:
bonds (distance) C4'-P energy: -68.124
bonds (distance) P-C4' energy: -65.177
flat angles C4'-P-C4' energy: -68.788
flat angles P-C4'-P energy: -46.208
tors. eta vs tors. theta energy: -87.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -1056.306680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.306680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.306680 (E_RNA)
where:
Base-Base interactions energy: -723.369
where: short stacking energy: -308.719
Base-Backbone interact. energy: -1.881
local terms energy: -331.056178
where:
bonds (distance) C4'-P energy: -55.268
bonds (distance) P-C4' energy: -64.294
flat angles C4'-P-C4' energy: -73.510
flat angles P-C4'-P energy: -47.193
tors. eta vs tors. theta energy: -90.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -999.375811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.375811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.375811 (E_RNA)
where:
Base-Base interactions energy: -682.881
where: short stacking energy: -304.750
Base-Backbone interact. energy: -1.910
local terms energy: -314.584853
where:
bonds (distance) C4'-P energy: -63.103
bonds (distance) P-C4' energy: -53.175
flat angles C4'-P-C4' energy: -70.960
flat angles P-C4'-P energy: -47.597
tors. eta vs tors. theta energy: -79.749
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: 5, replica: 2
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -963.200593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.200593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.200593 (E_RNA)
where:
Base-Base interactions energy: -655.858
where: short stacking energy: -304.430
Base-Backbone interact. energy: -0.493
local terms energy: -306.850069
where:
bonds (distance) C4'-P energy: -50.009
bonds (distance) P-C4' energy: -51.716
flat angles C4'-P-C4' energy: -72.251
flat angles P-C4'-P energy: -39.809
tors. eta vs tors. theta energy: -93.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -906.149349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.149349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.149349 (E_RNA)
where:
Base-Base interactions energy: -611.884
where: short stacking energy: -244.596
Base-Backbone interact. energy: -0.038
local terms energy: -294.226882
where:
bonds (distance) C4'-P energy: -59.445
bonds (distance) P-C4' energy: -64.254
flat angles C4'-P-C4' energy: -62.563
flat angles P-C4'-P energy: -37.903
tors. eta vs tors. theta energy: -70.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -774.406634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.406634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.406634 (E_RNA)
where:
Base-Base interactions energy: -495.856
where: short stacking energy: -233.021
Base-Backbone interact. energy: -1.406
local terms energy: -277.144569
where:
bonds (distance) C4'-P energy: -60.685
bonds (distance) P-C4' energy: -56.587
flat angles C4'-P-C4' energy: -61.615
flat angles P-C4'-P energy: -41.879
tors. eta vs tors. theta energy: -56.379
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: 6
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -806.490252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.490252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.490252 (E_RNA)
where:
Base-Base interactions energy: -529.740
where: short stacking energy: -250.881
Base-Backbone interact. energy: 0.722
local terms energy: -277.472793
where:
bonds (distance) C4'-P energy: -43.903
bonds (distance) P-C4' energy: -63.948
flat angles C4'-P-C4' energy: -59.821
flat angles P-C4'-P energy: -45.093
tors. eta vs tors. theta energy: -64.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -456.207923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.207923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.207923 (E_RNA)
where:
Base-Base interactions energy: -237.374
where: short stacking energy: -139.614
Base-Backbone interact. energy: -0.804
local terms energy: -218.030185
where:
bonds (distance) C4'-P energy: -55.618
bonds (distance) P-C4' energy: -56.807
flat angles C4'-P-C4' energy: -58.058
flat angles P-C4'-P energy: -31.738
tors. eta vs tors. theta energy: -15.809
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: 7
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -324.208062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.208062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.208062 (E_RNA)
where:
Base-Base interactions energy: -143.650
where: short stacking energy: -64.535
Base-Backbone interact. energy: -1.437
local terms energy: -179.121604
where:
bonds (distance) C4'-P energy: -46.093
bonds (distance) P-C4' energy: -73.144
flat angles C4'-P-C4' energy: -50.315
flat angles P-C4'-P energy: -24.464
tors. eta vs tors. theta energy: 14.893
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: 1, replica: 1
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -1153.896659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.896659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.896659 (E_RNA)
where:
Base-Base interactions energy: -803.292
where: short stacking energy: -342.769
Base-Backbone interact. energy: -0.486
local terms energy: -350.119170
where:
bonds (distance) C4'-P energy: -63.923
bonds (distance) P-C4' energy: -76.330
flat angles C4'-P-C4' energy: -68.770
flat angles P-C4'-P energy: -42.791
tors. eta vs tors. theta energy: -98.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -1105.697497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.697497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.697497 (E_RNA)
where:
Base-Base interactions energy: -766.317
where: short stacking energy: -316.441
Base-Backbone interact. energy: -0.369
local terms energy: -339.012164
where:
bonds (distance) C4'-P energy: -68.302
bonds (distance) P-C4' energy: -67.243
flat angles C4'-P-C4' energy: -74.271
flat angles P-C4'-P energy: -43.850
tors. eta vs tors. theta energy: -85.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -1048.256557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.256557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.256557 (E_RNA)
where:
Base-Base interactions energy: -725.637
where: short stacking energy: -313.296
Base-Backbone interact. energy: -0.024
local terms energy: -322.595239
where:
bonds (distance) C4'-P energy: -63.612
bonds (distance) P-C4' energy: -47.912
flat angles C4'-P-C4' energy: -77.895
flat angles P-C4'-P energy: -51.806
tors. eta vs tors. theta energy: -81.371
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: 4
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -1004.530748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.530748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.530748 (E_RNA)
where:
Base-Base interactions energy: -669.192
where: short stacking energy: -316.988
Base-Backbone interact. energy: -1.689
local terms energy: -333.649700
where:
bonds (distance) C4'-P energy: -65.656
bonds (distance) P-C4' energy: -57.305
flat angles C4'-P-C4' energy: -69.223
flat angles P-C4'-P energy: -47.972
tors. eta vs tors. theta energy: -93.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -956.192415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.192415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.192415 (E_RNA)
where:
Base-Base interactions energy: -647.556
where: short stacking energy: -289.494
Base-Backbone interact. energy: -0.836
local terms energy: -307.800115
where:
bonds (distance) C4'-P energy: -51.493
bonds (distance) P-C4' energy: -62.515
flat angles C4'-P-C4' energy: -65.474
flat angles P-C4'-P energy: -44.581
tors. eta vs tors. theta energy: -83.737
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: 6, replica: 9
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -889.441881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.441881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.441881 (E_RNA)
where:
Base-Base interactions energy: -604.833
where: short stacking energy: -249.922
Base-Backbone interact. energy: -1.242
local terms energy: -283.367328
where:
bonds (distance) C4'-P energy: -51.885
bonds (distance) P-C4' energy: -64.414
flat angles C4'-P-C4' energy: -65.098
flat angles P-C4'-P energy: -34.540
tors. eta vs tors. theta energy: -67.431
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: 7, replica: 6
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -798.244975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.244975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.244975 (E_RNA)
where:
Base-Base interactions energy: -531.107
where: short stacking energy: -265.410
Base-Backbone interact. energy: -1.737
local terms energy: -265.400815
where:
bonds (distance) C4'-P energy: -43.590
bonds (distance) P-C4' energy: -51.383
flat angles C4'-P-C4' energy: -64.236
flat angles P-C4'-P energy: -45.125
tors. eta vs tors. theta energy: -61.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -750.604673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.604673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.604673 (E_RNA)
where:
Base-Base interactions energy: -499.412
where: short stacking energy: -233.698
Base-Backbone interact. energy: 0.438
local terms energy: -251.630020
where:
bonds (distance) C4'-P energy: -63.157
bonds (distance) P-C4' energy: -57.973
flat angles C4'-P-C4' energy: -40.281
flat angles P-C4'-P energy: -32.199
tors. eta vs tors. theta energy: -58.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -452.175589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.175589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.175589 (E_RNA)
where:
Base-Base interactions energy: -244.662
where: short stacking energy: -148.669
Base-Backbone interact. energy: 1.437
local terms energy: -208.950447
where:
bonds (distance) C4'-P energy: -40.090
bonds (distance) P-C4' energy: -55.507
flat angles C4'-P-C4' energy: -51.623
flat angles P-C4'-P energy: -34.760
tors. eta vs tors. theta energy: -26.971
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: 7
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -358.505561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.505561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.505561 (E_RNA)
where:
Base-Base interactions energy: -183.891
where: short stacking energy: -133.946
Base-Backbone interact. energy: 0.943
local terms energy: -175.556981
where:
bonds (distance) C4'-P energy: -49.671
bonds (distance) P-C4' energy: -46.457
flat angles C4'-P-C4' energy: -49.965
flat angles P-C4'-P energy: -31.803
tors. eta vs tors. theta energy: 2.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -1160.633102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.633102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.633102 (E_RNA)
where:
Base-Base interactions energy: -794.536
where: short stacking energy: -368.116
Base-Backbone interact. energy: 0.728
local terms energy: -366.824316
where:
bonds (distance) C4'-P energy: -68.308
bonds (distance) P-C4' energy: -68.172
flat angles C4'-P-C4' energy: -73.931
flat angles P-C4'-P energy: -55.646
tors. eta vs tors. theta energy: -100.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -1104.920623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.920623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.920623 (E_RNA)
where:
Base-Base interactions energy: -782.707
where: short stacking energy: -326.238
Base-Backbone interact. energy: -1.508
local terms energy: -320.705281
where:
bonds (distance) C4'-P energy: -62.585
bonds (distance) P-C4' energy: -59.810
flat angles C4'-P-C4' energy: -72.059
flat angles P-C4'-P energy: -40.991
tors. eta vs tors. theta energy: -85.260
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: 3, replica: 10
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -1066.727168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.727168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.727168 (E_RNA)
where:
Base-Base interactions energy: -730.696
where: short stacking energy: -321.746
Base-Backbone interact. energy: -2.581
local terms energy: -333.450487
where:
bonds (distance) C4'-P energy: -55.935
bonds (distance) P-C4' energy: -60.342
flat angles C4'-P-C4' energy: -66.355
flat angles P-C4'-P energy: -50.381
tors. eta vs tors. theta energy: -100.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -996.877122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.877122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.877122 (E_RNA)
where:
Base-Base interactions energy: -672.876
where: short stacking energy: -307.607
Base-Backbone interact. energy: -1.134
local terms energy: -322.867122
where:
bonds (distance) C4'-P energy: -57.740
bonds (distance) P-C4' energy: -60.867
flat angles C4'-P-C4' energy: -80.641
flat angles P-C4'-P energy: -39.397
tors. eta vs tors. theta energy: -84.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -958.869855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.869855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.869855 (E_RNA)
where:
Base-Base interactions energy: -640.856
where: short stacking energy: -294.861
Base-Backbone interact. energy: -1.858
local terms energy: -316.155626
where:
bonds (distance) C4'-P energy: -52.215
bonds (distance) P-C4' energy: -70.539
flat angles C4'-P-C4' energy: -74.932
flat angles P-C4'-P energy: -41.995
tors. eta vs tors. theta energy: -76.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -877.139113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.139113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.139113 (E_RNA)
where:
Base-Base interactions energy: -582.828
where: short stacking energy: -253.671
Base-Backbone interact. energy: -0.830
local terms energy: -293.481170
where:
bonds (distance) C4'-P energy: -61.509
bonds (distance) P-C4' energy: -57.851
flat angles C4'-P-C4' energy: -67.535
flat angles P-C4'-P energy: -31.974
tors. eta vs tors. theta energy: -74.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -777.702221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.702221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.702221 (E_RNA)
where:
Base-Base interactions energy: -509.042
where: short stacking energy: -240.566
Base-Backbone interact. energy: -1.261
local terms energy: -267.398976
where:
bonds (distance) C4'-P energy: -61.142
bonds (distance) P-C4' energy: -45.090
flat angles C4'-P-C4' energy: -62.515
flat angles P-C4'-P energy: -42.817
tors. eta vs tors. theta energy: -55.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -752.877277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.877277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.877277 (E_RNA)
where:
Base-Base interactions energy: -517.833
where: short stacking energy: -219.934
Base-Backbone interact. energy: -1.089
local terms energy: -233.954788
where:
bonds (distance) C4'-P energy: -56.991
bonds (distance) P-C4' energy: -48.242
flat angles C4'-P-C4' energy: -50.510
flat angles P-C4'-P energy: -33.244
tors. eta vs tors. theta energy: -44.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -498.574064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.574064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.574064 (E_RNA)
where:
Base-Base interactions energy: -292.686
where: short stacking energy: -135.640
Base-Backbone interact. energy: -0.084
local terms energy: -205.804208
where:
bonds (distance) C4'-P energy: -44.576
bonds (distance) P-C4' energy: -53.479
flat angles C4'-P-C4' energy: -50.412
flat angles P-C4'-P energy: -34.996
tors. eta vs tors. theta energy: -22.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -351.118346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.118346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.118346 (E_RNA)
where:
Base-Base interactions energy: -177.413
where: short stacking energy: -119.684
Base-Backbone interact. energy: -2.036
local terms energy: -171.669459
where:
bonds (distance) C4'-P energy: -38.894
bonds (distance) P-C4' energy: -57.560
flat angles C4'-P-C4' energy: -49.837
flat angles P-C4'-P energy: -25.090
tors. eta vs tors. theta energy: -0.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -1161.990116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.990116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.990116 (E_RNA)
where:
Base-Base interactions energy: -800.124
where: short stacking energy: -361.982
Base-Backbone interact. energy: 0.028
local terms energy: -361.894042
where:
bonds (distance) C4'-P energy: -59.477
bonds (distance) P-C4' energy: -66.899
flat angles C4'-P-C4' energy: -75.221
flat angles P-C4'-P energy: -54.141
tors. eta vs tors. theta energy: -106.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -1115.265696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.265696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.265696 (E_RNA)
where:
Base-Base interactions energy: -798.819
where: short stacking energy: -336.697
Base-Backbone interact. energy: 0.514
local terms energy: -316.961110
where:
bonds (distance) C4'-P energy: -64.111
bonds (distance) P-C4' energy: -59.730
flat angles C4'-P-C4' energy: -61.818
flat angles P-C4'-P energy: -46.510
tors. eta vs tors. theta energy: -84.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -1080.859498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.859498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.859498 (E_RNA)
where:
Base-Base interactions energy: -717.502
where: short stacking energy: -326.304
Base-Backbone interact. energy: 1.009
local terms energy: -364.366752
where:
bonds (distance) C4'-P energy: -65.665
bonds (distance) P-C4' energy: -74.938
flat angles C4'-P-C4' energy: -65.528
flat angles P-C4'-P energy: -56.710
tors. eta vs tors. theta energy: -101.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -1010.109255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.109255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.109255 (E_RNA)
where:
Base-Base interactions energy: -673.983
where: short stacking energy: -312.022
Base-Backbone interact. energy: 1.967
local terms energy: -338.093709
where:
bonds (distance) C4'-P energy: -58.372
bonds (distance) P-C4' energy: -71.237
flat angles C4'-P-C4' energy: -70.340
flat angles P-C4'-P energy: -46.292
tors. eta vs tors. theta energy: -91.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -950.350050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.350050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.350050 (E_RNA)
where:
Base-Base interactions energy: -645.539
where: short stacking energy: -294.800
Base-Backbone interact. energy: -0.290
local terms energy: -304.521858
where:
bonds (distance) C4'-P energy: -48.384
bonds (distance) P-C4' energy: -57.821
flat angles C4'-P-C4' energy: -69.954
flat angles P-C4'-P energy: -42.484
tors. eta vs tors. theta energy: -85.879
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: 6, replica: 9
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -861.311007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.311007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.311007 (E_RNA)
where:
Base-Base interactions energy: -592.279
where: short stacking energy: -261.972
Base-Backbone interact. energy: 1.486
local terms energy: -270.517919
where:
bonds (distance) C4'-P energy: -56.379
bonds (distance) P-C4' energy: -45.450
flat angles C4'-P-C4' energy: -64.097
flat angles P-C4'-P energy: -37.640
tors. eta vs tors. theta energy: -66.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -789.688259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.688259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.688259 (E_RNA)
where:
Base-Base interactions energy: -532.310
where: short stacking energy: -249.948
Base-Backbone interact. energy: -1.143
local terms energy: -256.235652
where:
bonds (distance) C4'-P energy: -57.735
bonds (distance) P-C4' energy: -52.462
flat angles C4'-P-C4' energy: -62.720
flat angles P-C4'-P energy: -33.160
tors. eta vs tors. theta energy: -50.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -780.475363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.475363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.475363 (E_RNA)
where:
Base-Base interactions energy: -512.877
where: short stacking energy: -219.311
Base-Backbone interact. energy: 1.058
local terms energy: -268.655734
where:
bonds (distance) C4'-P energy: -43.801
bonds (distance) P-C4' energy: -63.138
flat angles C4'-P-C4' energy: -65.737
flat angles P-C4'-P energy: -41.636
tors. eta vs tors. theta energy: -54.344
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: 7
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -374.080878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.080878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.080878 (E_RNA)
where:
Base-Base interactions energy: -176.592
where: short stacking energy: -128.270
Base-Backbone interact. energy: 2.772
local terms energy: -200.260493
where:
bonds (distance) C4'-P energy: -64.180
bonds (distance) P-C4' energy: -58.078
flat angles C4'-P-C4' energy: -44.321
flat angles P-C4'-P energy: -27.022
tors. eta vs tors. theta energy: -6.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -439.773340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.773340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.773340 (E_RNA)
where:
Base-Base interactions energy: -245.311
where: short stacking energy: -136.087
Base-Backbone interact. energy: 0.269
local terms energy: -194.731834
where:
bonds (distance) C4'-P energy: -41.724
bonds (distance) P-C4' energy: -62.765
flat angles C4'-P-C4' energy: -47.474
flat angles P-C4'-P energy: -36.008
tors. eta vs tors. theta energy: -6.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -1160.264667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.264667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.264667 (E_RNA)
where:
Base-Base interactions energy: -783.308
where: short stacking energy: -354.003
Base-Backbone interact. energy: -0.671
local terms energy: -376.285580
where:
bonds (distance) C4'-P energy: -67.091
bonds (distance) P-C4' energy: -62.637
flat angles C4'-P-C4' energy: -78.737
flat angles P-C4'-P energy: -55.982
tors. eta vs tors. theta energy: -111.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -1128.919352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.919352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.919352 (E_RNA)
where:
Base-Base interactions energy: -803.170
where: short stacking energy: -309.790
Base-Backbone interact. energy: 5.104
local terms energy: -330.853813
where:
bonds (distance) C4'-P energy: -55.351
bonds (distance) P-C4' energy: -71.524
flat angles C4'-P-C4' energy: -78.230
flat angles P-C4'-P energy: -46.968
tors. eta vs tors. theta energy: -78.781
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: 287
Temperature: 1.000000
Total energy: -1084.971298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.971298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.971298 (E_RNA)
where:
Base-Base interactions energy: -727.972
where: short stacking energy: -335.589
Base-Backbone interact. energy: -1.593
local terms energy: -355.406381
where:
bonds (distance) C4'-P energy: -62.107
bonds (distance) P-C4' energy: -66.343
flat angles C4'-P-C4' energy: -68.611
flat angles P-C4'-P energy: -57.447
tors. eta vs tors. theta energy: -100.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -1002.619882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.619882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.619882 (E_RNA)
where:
Base-Base interactions energy: -663.893
where: short stacking energy: -296.977
Base-Backbone interact. energy: -0.761
local terms energy: -337.965776
where:
bonds (distance) C4'-P energy: -58.451
bonds (distance) P-C4' energy: -70.654
flat angles C4'-P-C4' energy: -69.867
flat angles P-C4'-P energy: -39.230
tors. eta vs tors. theta energy: -99.763
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: 2
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -952.814162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.814162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.814162 (E_RNA)
where:
Base-Base interactions energy: -639.324
where: short stacking energy: -295.274
Base-Backbone interact. energy: -0.473
local terms energy: -313.017446
where:
bonds (distance) C4'-P energy: -52.230
bonds (distance) P-C4' energy: -58.977
flat angles C4'-P-C4' energy: -68.565
flat angles P-C4'-P energy: -45.162
tors. eta vs tors. theta energy: -88.084
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: 9
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -860.896931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.896931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.896931 (E_RNA)
where:
Base-Base interactions energy: -599.110
where: short stacking energy: -231.966
Base-Backbone interact. energy: -1.457
local terms energy: -260.329407
where:
bonds (distance) C4'-P energy: -54.348
bonds (distance) P-C4' energy: -57.240
flat angles C4'-P-C4' energy: -65.592
flat angles P-C4'-P energy: -32.902
tors. eta vs tors. theta energy: -50.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -811.876462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.876462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.876462 (E_RNA)
where:
Base-Base interactions energy: -548.915
where: short stacking energy: -245.487
Base-Backbone interact. energy: 1.046
local terms energy: -264.007354
where:
bonds (distance) C4'-P energy: -43.406
bonds (distance) P-C4' energy: -53.637
flat angles C4'-P-C4' energy: -70.636
flat angles P-C4'-P energy: -35.287
tors. eta vs tors. theta energy: -61.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -741.440968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.440968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.440968 (E_RNA)
where:
Base-Base interactions energy: -494.159
where: short stacking energy: -223.841
Base-Backbone interact. energy: -0.550
local terms energy: -246.732150
where:
bonds (distance) C4'-P energy: -51.582
bonds (distance) P-C4' energy: -65.763
flat angles C4'-P-C4' energy: -43.225
flat angles P-C4'-P energy: -38.273
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: 9, replica: 7
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -396.642002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.642002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.642002 (E_RNA)
where:
Base-Base interactions energy: -191.170
where: short stacking energy: -118.428
Base-Backbone interact. energy: -0.989
local terms energy: -204.482942
where:
bonds (distance) C4'-P energy: -61.588
bonds (distance) P-C4' energy: -44.945
flat angles C4'-P-C4' energy: -56.217
flat angles P-C4'-P energy: -38.891
tors. eta vs tors. theta energy: -2.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -424.433978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.433978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.433978 (E_RNA)
where:
Base-Base interactions energy: -236.596
where: short stacking energy: -116.234
Base-Backbone interact. energy: -0.479
local terms energy: -187.359323
where:
bonds (distance) C4'-P energy: -40.981
bonds (distance) P-C4' energy: -62.507
flat angles C4'-P-C4' energy: -51.338
flat angles P-C4'-P energy: -24.623
tors. eta vs tors. theta energy: -7.910
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: 1, replica: 8
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -1169.448328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.448328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.448328 (E_RNA)
where:
Base-Base interactions energy: -830.256
where: short stacking energy: -344.858
Base-Backbone interact. energy: -0.520
local terms energy: -338.671570
where:
bonds (distance) C4'-P energy: -59.001
bonds (distance) P-C4' energy: -61.210
flat angles C4'-P-C4' energy: -80.775
flat angles P-C4'-P energy: -48.660
tors. eta vs tors. theta energy: -89.026
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: 1
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -1122.869845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.869845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.869845 (E_RNA)
where:
Base-Base interactions energy: -763.715
where: short stacking energy: -342.551
Base-Backbone interact. energy: -0.488
local terms energy: -358.667054
where:
bonds (distance) C4'-P energy: -58.437
bonds (distance) P-C4' energy: -71.106
flat angles C4'-P-C4' energy: -74.210
flat angles P-C4'-P energy: -53.000
tors. eta vs tors. theta energy: -101.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -1084.942051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.942051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.942051 (E_RNA)
where:
Base-Base interactions energy: -732.412
where: short stacking energy: -328.503
Base-Backbone interact. energy: -0.903
local terms energy: -351.627417
where:
bonds (distance) C4'-P energy: -72.984
bonds (distance) P-C4' energy: -55.817
flat angles C4'-P-C4' energy: -70.724
flat angles P-C4'-P energy: -51.583
tors. eta vs tors. theta energy: -100.520
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: 4
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -1000.330446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.330446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.330446 (E_RNA)
where:
Base-Base interactions energy: -685.461
where: short stacking energy: -287.927
Base-Backbone interact. energy: 0.067
local terms energy: -314.936540
where:
bonds (distance) C4'-P energy: -45.841
bonds (distance) P-C4' energy: -58.059
flat angles C4'-P-C4' energy: -78.174
flat angles P-C4'-P energy: -48.345
tors. eta vs tors. theta energy: -84.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -943.935271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.935271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.935271 (E_RNA)
where:
Base-Base interactions energy: -644.741
where: short stacking energy: -276.719
Base-Backbone interact. energy: -0.160
local terms energy: -299.034385
where:
bonds (distance) C4'-P energy: -55.484
bonds (distance) P-C4' energy: -65.935
flat angles C4'-P-C4' energy: -69.546
flat angles P-C4'-P energy: -35.503
tors. eta vs tors. theta energy: -72.568
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: 2
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -923.933191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.933191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.933191 (E_RNA)
where:
Base-Base interactions energy: -636.003
where: short stacking energy: -307.606
Base-Backbone interact. energy: 0.103
local terms energy: -288.033545
where:
bonds (distance) C4'-P energy: -54.789
bonds (distance) P-C4' energy: -43.022
flat angles C4'-P-C4' energy: -57.055
flat angles P-C4'-P energy: -46.177
tors. eta vs tors. theta energy: -86.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -809.246462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.246462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.246462 (E_RNA)
where:
Base-Base interactions energy: -547.244
where: short stacking energy: -253.484
Base-Backbone interact. energy: -0.969
local terms energy: -261.033622
where:
bonds (distance) C4'-P energy: -41.978
bonds (distance) P-C4' energy: -41.778
flat angles C4'-P-C4' energy: -68.764
flat angles P-C4'-P energy: -41.117
tors. eta vs tors. theta energy: -67.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -740.062049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.062049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.062049 (E_RNA)
where:
Base-Base interactions energy: -495.264
where: short stacking energy: -212.473
Base-Backbone interact. energy: -1.417
local terms energy: -243.380972
where:
bonds (distance) C4'-P energy: -55.739
bonds (distance) P-C4' energy: -53.081
flat angles C4'-P-C4' energy: -54.526
flat angles P-C4'-P energy: -31.580
tors. eta vs tors. theta energy: -48.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -469.406858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.406858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.406858 (E_RNA)
where:
Base-Base interactions energy: -255.804
where: short stacking energy: -133.230
Base-Backbone interact. energy: 1.743
local terms energy: -215.346692
where:
bonds (distance) C4'-P energy: -62.149
bonds (distance) P-C4' energy: -51.224
flat angles C4'-P-C4' energy: -61.115
flat angles P-C4'-P energy: -22.927
tors. eta vs tors. theta energy: -17.931
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: 10, replica: 7
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -348.886433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.886433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.886433 (E_RNA)
where:
Base-Base interactions energy: -170.276
where: short stacking energy: -118.662
Base-Backbone interact. energy: 0.336
local terms energy: -178.946195
where:
bonds (distance) C4'-P energy: -50.624
bonds (distance) P-C4' energy: -55.875
flat angles C4'-P-C4' energy: -42.474
flat angles P-C4'-P energy: -29.477
tors. eta vs tors. theta energy: -0.497
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: 8
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -1143.791058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.791058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.791058 (E_RNA)
where:
Base-Base interactions energy: -814.878
where: short stacking energy: -331.869
Base-Backbone interact. energy: 5.110
local terms energy: -334.023026
where:
bonds (distance) C4'-P energy: -56.383
bonds (distance) P-C4' energy: -64.393
flat angles C4'-P-C4' energy: -75.317
flat angles P-C4'-P energy: -52.489
tors. eta vs tors. theta energy: -85.443
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: 1
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -1140.468115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.468115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.468115 (E_RNA)
where:
Base-Base interactions energy: -784.254
where: short stacking energy: -332.672
Base-Backbone interact. energy: -1.392
local terms energy: -354.822234
where:
bonds (distance) C4'-P energy: -65.249
bonds (distance) P-C4' energy: -68.738
flat angles C4'-P-C4' energy: -79.015
flat angles P-C4'-P energy: -45.989
tors. eta vs tors. theta energy: -95.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -1068.231010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.231010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.231010 (E_RNA)
where:
Base-Base interactions energy: -712.055
where: short stacking energy: -335.939
Base-Backbone interact. energy: -1.225
local terms energy: -354.950520
where:
bonds (distance) C4'-P energy: -63.331
bonds (distance) P-C4' energy: -64.371
flat angles C4'-P-C4' energy: -74.599
flat angles P-C4'-P energy: -51.338
tors. eta vs tors. theta energy: -101.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -1023.234889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.234889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.234889 (E_RNA)
where:
Base-Base interactions energy: -697.418
where: short stacking energy: -316.152
Base-Backbone interact. energy: -0.220
local terms energy: -325.597012
where:
bonds (distance) C4'-P energy: -58.034
bonds (distance) P-C4' energy: -62.105
flat angles C4'-P-C4' energy: -73.040
flat angles P-C4'-P energy: -45.268
tors. eta vs tors. theta energy: -87.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -903.352667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.352667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.352667 (E_RNA)
where:
Base-Base interactions energy: -592.084
where: short stacking energy: -269.168
Base-Backbone interact. energy: -0.025
local terms energy: -311.243916
where:
bonds (distance) C4'-P energy: -63.641
bonds (distance) P-C4' energy: -60.461
flat angles C4'-P-C4' energy: -73.017
flat angles P-C4'-P energy: -42.586
tors. eta vs tors. theta energy: -71.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -902.365777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.365777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.365777 (E_RNA)
where:
Base-Base interactions energy: -602.079
where: short stacking energy: -279.844
Base-Backbone interact. energy: -3.224
local terms energy: -297.062935
where:
bonds (distance) C4'-P energy: -65.361
bonds (distance) P-C4' energy: -49.639
flat angles C4'-P-C4' energy: -63.566
flat angles P-C4'-P energy: -39.982
tors. eta vs tors. theta energy: -78.516
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: 3
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -826.746739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.746739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.746739 (E_RNA)
where:
Base-Base interactions energy: -552.887
where: short stacking energy: -250.362
Base-Backbone interact. energy: 0.628
local terms energy: -274.488257
where:
bonds (distance) C4'-P energy: -41.961
bonds (distance) P-C4' energy: -62.909
flat angles C4'-P-C4' energy: -58.835
flat angles P-C4'-P energy: -42.494
tors. eta vs tors. theta energy: -68.288
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: 6
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -718.904261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.904261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.904261 (E_RNA)
where:
Base-Base interactions energy: -453.389
where: short stacking energy: -205.800
Base-Backbone interact. energy: -2.238
local terms energy: -263.277098
where:
bonds (distance) C4'-P energy: -53.923
bonds (distance) P-C4' energy: -62.231
flat angles C4'-P-C4' energy: -59.113
flat angles P-C4'-P energy: -37.339
tors. eta vs tors. theta energy: -50.671
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: 5
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -459.061587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.061587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.061587 (E_RNA)
where:
Base-Base interactions energy: -244.478
where: short stacking energy: -133.952
Base-Backbone interact. energy: 2.608
local terms energy: -217.191789
where:
bonds (distance) C4'-P energy: -49.224
bonds (distance) P-C4' energy: -63.934
flat angles C4'-P-C4' energy: -39.335
flat angles P-C4'-P energy: -44.169
tors. eta vs tors. theta energy: -20.531
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: 10, replica: 7
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -387.305972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.305972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.305972 (E_RNA)
where:
Base-Base interactions energy: -188.407
where: short stacking energy: -110.073
Base-Backbone interact. energy: 0.647
local terms energy: -199.546431
where:
bonds (distance) C4'-P energy: -54.042
bonds (distance) P-C4' energy: -50.802
flat angles C4'-P-C4' energy: -50.004
flat angles P-C4'-P energy: -31.864
tors. eta vs tors. theta energy: -12.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -1159.926900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.926900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.926900 (E_RNA)
where:
Base-Base interactions energy: -785.543
where: short stacking energy: -365.988
Base-Backbone interact. energy: -0.703
local terms energy: -373.680936
where:
bonds (distance) C4'-P energy: -70.122
bonds (distance) P-C4' energy: -71.642
flat angles C4'-P-C4' energy: -75.702
flat angles P-C4'-P energy: -48.656
tors. eta vs tors. theta energy: -107.559
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: 8
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -1134.345351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.345351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.345351 (E_RNA)
where:
Base-Base interactions energy: -786.432
where: short stacking energy: -312.855
Base-Backbone interact. energy: -2.725
local terms energy: -345.188646
where:
bonds (distance) C4'-P energy: -70.670
bonds (distance) P-C4' energy: -65.362
flat angles C4'-P-C4' energy: -71.039
flat angles P-C4'-P energy: -45.312
tors. eta vs tors. theta energy: -92.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -1066.059738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.059738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.059738 (E_RNA)
where:
Base-Base interactions energy: -728.760
where: short stacking energy: -334.367
Base-Backbone interact. energy: -1.471
local terms energy: -335.828794
where:
bonds (distance) C4'-P energy: -60.127
bonds (distance) P-C4' energy: -64.811
flat angles C4'-P-C4' energy: -76.942
flat angles P-C4'-P energy: -39.902
tors. eta vs tors. theta energy: -94.047
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: 4
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -999.010703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.010703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.010703 (E_RNA)
where:
Base-Base interactions energy: -683.970
where: short stacking energy: -302.030
Base-Backbone interact. energy: -0.809
local terms energy: -314.232166
where:
bonds (distance) C4'-P energy: -60.682
bonds (distance) P-C4' energy: -54.805
flat angles C4'-P-C4' energy: -67.940
flat angles P-C4'-P energy: -43.400
tors. eta vs tors. theta energy: -87.405
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: 9
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -896.565148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.565148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.565148 (E_RNA)
where:
Base-Base interactions energy: -606.056
where: short stacking energy: -272.177
Base-Backbone interact. energy: -2.391
local terms energy: -288.117859
where:
bonds (distance) C4'-P energy: -63.176
bonds (distance) P-C4' energy: -53.756
flat angles C4'-P-C4' energy: -67.827
flat angles P-C4'-P energy: -34.461
tors. eta vs tors. theta energy: -68.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -952.773727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.773727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.773727 (E_RNA)
where:
Base-Base interactions energy: -625.799
where: short stacking energy: -287.292
Base-Backbone interact. energy: -0.927
local terms energy: -326.047035
where:
bonds (distance) C4'-P energy: -55.436
bonds (distance) P-C4' energy: -65.508
flat angles C4'-P-C4' energy: -71.075
flat angles P-C4'-P energy: -47.328
tors. eta vs tors. theta energy: -86.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -757.568671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.568671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.568671 (E_RNA)
where:
Base-Base interactions energy: -494.373
where: short stacking energy: -220.918
Base-Backbone interact. energy: -1.704
local terms energy: -261.491637
where:
bonds (distance) C4'-P energy: -58.940
bonds (distance) P-C4' energy: -55.869
flat angles C4'-P-C4' energy: -51.938
flat angles P-C4'-P energy: -36.094
tors. eta vs tors. theta energy: -58.651
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: 3
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -776.778417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.778417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.778417 (E_RNA)
where:
Base-Base interactions energy: -511.245
where: short stacking energy: -226.090
Base-Backbone interact. energy: -1.287
local terms energy: -264.246422
where:
bonds (distance) C4'-P energy: -64.103
bonds (distance) P-C4' energy: -56.711
flat angles C4'-P-C4' energy: -66.639
flat angles P-C4'-P energy: -22.730
tors. eta vs tors. theta energy: -54.064
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: 9, replica: 5
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -460.318887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.318887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.318887 (E_RNA)
where:
Base-Base interactions energy: -242.048
where: short stacking energy: -149.123
Base-Backbone interact. energy: -0.987
local terms energy: -217.283304
where:
bonds (distance) C4'-P energy: -63.591
bonds (distance) P-C4' energy: -48.891
flat angles C4'-P-C4' energy: -44.464
flat angles P-C4'-P energy: -36.794
tors. eta vs tors. theta energy: -23.544
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: 7
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -323.109106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.109106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.109106 (E_RNA)
where:
Base-Base interactions energy: -136.079
where: short stacking energy: -82.103
Base-Backbone interact. energy: -0.677
local terms energy: -186.353241
where:
bonds (distance) C4'-P energy: -65.452
bonds (distance) P-C4' energy: -60.814
flat angles C4'-P-C4' energy: -48.373
flat angles P-C4'-P energy: -27.359
tors. eta vs tors. theta energy: 15.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -1170.556017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.556017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.556017 (E_RNA)
where:
Base-Base interactions energy: -814.222
where: short stacking energy: -376.552
Base-Backbone interact. energy: -2.198
local terms energy: -354.135806
where:
bonds (distance) C4'-P energy: -72.581
bonds (distance) P-C4' energy: -66.021
flat angles C4'-P-C4' energy: -65.407
flat angles P-C4'-P energy: -45.545
tors. eta vs tors. theta energy: -104.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -1133.530322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.530322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.530322 (E_RNA)
where:
Base-Base interactions energy: -788.878
where: short stacking energy: -324.568
Base-Backbone interact. energy: -0.858
local terms energy: -343.793738
where:
bonds (distance) C4'-P energy: -65.583
bonds (distance) P-C4' energy: -65.709
flat angles C4'-P-C4' energy: -77.826
flat angles P-C4'-P energy: -47.956
tors. eta vs tors. theta energy: -86.720
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: 3, replica: 10
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -1051.610467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.610467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.610467 (E_RNA)
where:
Base-Base interactions energy: -705.857
where: short stacking energy: -326.610
Base-Backbone interact. energy: -1.594
local terms energy: -344.159370
where:
bonds (distance) C4'-P energy: -65.738
bonds (distance) P-C4' energy: -60.501
flat angles C4'-P-C4' energy: -68.663
flat angles P-C4'-P energy: -49.727
tors. eta vs tors. theta energy: -99.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -1011.582308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.582308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.582308 (E_RNA)
where:
Base-Base interactions energy: -681.408
where: short stacking energy: -304.654
Base-Backbone interact. energy: -0.763
local terms energy: -329.410974
where:
bonds (distance) C4'-P energy: -62.510
bonds (distance) P-C4' energy: -56.039
flat angles C4'-P-C4' energy: -71.626
flat angles P-C4'-P energy: -46.471
tors. eta vs tors. theta energy: -92.765
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: 291
Temperature: 1.100000
Total energy: -903.926822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.926822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.926822 (E_RNA)
where:
Base-Base interactions energy: -609.218
where: short stacking energy: -246.844
Base-Backbone interact. energy: -0.060
local terms energy: -294.649093
where:
bonds (distance) C4'-P energy: -65.379
bonds (distance) P-C4' energy: -63.296
flat angles C4'-P-C4' energy: -58.397
flat angles P-C4'-P energy: -47.080
tors. eta vs tors. theta energy: -60.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -922.553017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.553017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.553017 (E_RNA)
where:
Base-Base interactions energy: -621.334
where: short stacking energy: -258.694
Base-Backbone interact. energy: -0.656
local terms energy: -300.562862
where:
bonds (distance) C4'-P energy: -49.824
bonds (distance) P-C4' energy: -62.741
flat angles C4'-P-C4' energy: -67.663
flat angles P-C4'-P energy: -47.253
tors. eta vs tors. theta energy: -73.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -746.534495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.534495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.534495 (E_RNA)
where:
Base-Base interactions energy: -489.963
where: short stacking energy: -225.771
Base-Backbone interact. energy: -0.420
local terms energy: -256.151672
where:
bonds (distance) C4'-P energy: -54.444
bonds (distance) P-C4' energy: -59.470
flat angles C4'-P-C4' energy: -55.616
flat angles P-C4'-P energy: -38.228
tors. eta vs tors. theta energy: -48.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -728.540055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.540055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.540055 (E_RNA)
where:
Base-Base interactions energy: -473.310
where: short stacking energy: -204.425
Base-Backbone interact. energy: -2.533
local terms energy: -252.697824
where:
bonds (distance) C4'-P energy: -51.664
bonds (distance) P-C4' energy: -60.769
flat angles C4'-P-C4' energy: -58.146
flat angles P-C4'-P energy: -27.302
tors. eta vs tors. theta energy: -54.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -445.828658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.828658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.828658 (E_RNA)
where:
Base-Base interactions energy: -235.858
where: short stacking energy: -137.278
Base-Backbone interact. energy: 0.140
local terms energy: -210.110695
where:
bonds (distance) C4'-P energy: -55.736
bonds (distance) P-C4' energy: -54.782
flat angles C4'-P-C4' energy: -57.098
flat angles P-C4'-P energy: -30.542
tors. eta vs tors. theta energy: -11.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -337.099937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.099937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.099937 (E_RNA)
where:
Base-Base interactions energy: -164.730
where: short stacking energy: -100.682
Base-Backbone interact. energy: -1.298
local terms energy: -171.072705
where:
bonds (distance) C4'-P energy: -50.248
bonds (distance) P-C4' energy: -58.463
flat angles C4'-P-C4' energy: -45.742
flat angles P-C4'-P energy: -21.840
tors. eta vs tors. theta energy: 5.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -1155.296655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.296655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.296655 (E_RNA)
where:
Base-Base interactions energy: -790.851
where: short stacking energy: -348.025
Base-Backbone interact. energy: -1.750
local terms energy: -362.695412
where:
bonds (distance) C4'-P energy: -68.836
bonds (distance) P-C4' energy: -70.138
flat angles C4'-P-C4' energy: -75.054
flat angles P-C4'-P energy: -43.714
tors. eta vs tors. theta energy: -104.953
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: 2, replica: 8
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -1132.942618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.942618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.942618 (E_RNA)
where:
Base-Base interactions energy: -797.726
where: short stacking energy: -318.098
Base-Backbone interact. energy: -0.005
local terms energy: -335.211086
where:
bonds (distance) C4'-P energy: -66.761
bonds (distance) P-C4' energy: -64.259
flat angles C4'-P-C4' energy: -67.023
flat angles P-C4'-P energy: -49.236
tors. eta vs tors. theta energy: -87.932
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: 3, replica: 4
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -1050.647485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.647485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.647485 (E_RNA)
where:
Base-Base interactions energy: -719.322
where: short stacking energy: -310.818
Base-Backbone interact. energy: 1.726
local terms energy: -333.050835
where:
bonds (distance) C4'-P energy: -59.821
bonds (distance) P-C4' energy: -69.291
flat angles C4'-P-C4' energy: -73.491
flat angles P-C4'-P energy: -41.598
tors. eta vs tors. theta energy: -88.851
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: 10
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -1028.562688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.562688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.562688 (E_RNA)
where:
Base-Base interactions energy: -692.732
where: short stacking energy: -306.314
Base-Backbone interact. energy: -0.943
local terms energy: -334.886922
where:
bonds (distance) C4'-P energy: -60.339
bonds (distance) P-C4' energy: -66.508
flat angles C4'-P-C4' energy: -74.275
flat angles P-C4'-P energy: -49.629
tors. eta vs tors. theta energy: -84.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -940.775346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.775346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.775346 (E_RNA)
where:
Base-Base interactions energy: -643.839
where: short stacking energy: -287.165
Base-Backbone interact. energy: -0.989
local terms energy: -295.947557
where:
bonds (distance) C4'-P energy: -49.112
bonds (distance) P-C4' energy: -54.679
flat angles C4'-P-C4' energy: -73.018
flat angles P-C4'-P energy: -45.725
tors. eta vs tors. theta energy: -73.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -862.544486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.544486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.544486 (E_RNA)
where:
Base-Base interactions energy: -599.203
where: short stacking energy: -249.327
Base-Backbone interact. energy: -0.529
local terms energy: -262.812349
where:
bonds (distance) C4'-P energy: -40.511
bonds (distance) P-C4' energy: -60.497
flat angles C4'-P-C4' energy: -61.760
flat angles P-C4'-P energy: -42.681
tors. eta vs tors. theta energy: -57.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -834.694878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.694878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.694878 (E_RNA)
where:
Base-Base interactions energy: -538.675
where: short stacking energy: -241.557
Base-Backbone interact. energy: 2.027
local terms energy: -298.046826
where:
bonds (distance) C4'-P energy: -68.805
bonds (distance) P-C4' energy: -59.573
flat angles C4'-P-C4' energy: -65.998
flat angles P-C4'-P energy: -40.486
tors. eta vs tors. theta energy: -63.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -734.727593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.727593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.727593 (E_RNA)
where:
Base-Base interactions energy: -472.848
where: short stacking energy: -221.255
Base-Backbone interact. energy: -0.448
local terms energy: -261.430787
where:
bonds (distance) C4'-P energy: -50.904
bonds (distance) P-C4' energy: -60.314
flat angles C4'-P-C4' energy: -60.478
flat angles P-C4'-P energy: -37.767
tors. eta vs tors. theta energy: -51.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -463.798957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.798957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.798957 (E_RNA)
where:
Base-Base interactions energy: -263.289
where: short stacking energy: -148.583
Base-Backbone interact. energy: -1.601
local terms energy: -198.909732
where:
bonds (distance) C4'-P energy: -45.207
bonds (distance) P-C4' energy: -55.969
flat angles C4'-P-C4' energy: -40.699
flat angles P-C4'-P energy: -40.183
tors. eta vs tors. theta energy: -16.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -360.390501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.390501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.390501 (E_RNA)
where:
Base-Base interactions energy: -163.684
where: short stacking energy: -89.980
Base-Backbone interact. energy: -1.656
local terms energy: -195.049983
where:
bonds (distance) C4'-P energy: -66.357
bonds (distance) P-C4' energy: -62.023
flat angles C4'-P-C4' energy: -38.088
flat angles P-C4'-P energy: -27.199
tors. eta vs tors. theta energy: -1.384
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: 1
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -1172.078081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.078081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.078081 (E_RNA)
where:
Base-Base interactions energy: -799.012
where: short stacking energy: -364.616
Base-Backbone interact. energy: -0.859
local terms energy: -372.207797
where:
bonds (distance) C4'-P energy: -67.626
bonds (distance) P-C4' energy: -73.405
flat angles C4'-P-C4' energy: -71.803
flat angles P-C4'-P energy: -52.503
tors. eta vs tors. theta energy: -106.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -1135.380343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.380343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.380343 (E_RNA)
where:
Base-Base interactions energy: -786.090
where: short stacking energy: -319.771
Base-Backbone interact. energy: 3.719
local terms energy: -353.009536
where:
bonds (distance) C4'-P energy: -67.606
bonds (distance) P-C4' energy: -74.386
flat angles C4'-P-C4' energy: -75.165
flat angles P-C4'-P energy: -48.267
tors. eta vs tors. theta energy: -87.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -1066.879069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.879069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.879069 (E_RNA)
where:
Base-Base interactions energy: -716.278
where: short stacking energy: -327.779
Base-Backbone interact. energy: -0.477
local terms energy: -350.123427
where:
bonds (distance) C4'-P energy: -64.786
bonds (distance) P-C4' energy: -69.629
flat angles C4'-P-C4' energy: -77.080
flat angles P-C4'-P energy: -45.517
tors. eta vs tors. theta energy: -93.111
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: 293
Temperature: 1.050000
Total energy: -1035.161748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.161748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.161748 (E_RNA)
where:
Base-Base interactions energy: -698.884
where: short stacking energy: -296.026
Base-Backbone interact. energy: -0.208
local terms energy: -336.069660
where:
bonds (distance) C4'-P energy: -59.432
bonds (distance) P-C4' energy: -62.436
flat angles C4'-P-C4' energy: -79.891
flat angles P-C4'-P energy: -44.149
tors. eta vs tors. theta energy: -90.162
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: 2
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -931.043917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.043917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.043917 (E_RNA)
where:
Base-Base interactions energy: -642.546
where: short stacking energy: -297.835
Base-Backbone interact. energy: -1.769
local terms energy: -286.728957
where:
bonds (distance) C4'-P energy: -40.842
bonds (distance) P-C4' energy: -60.843
flat angles C4'-P-C4' energy: -61.659
flat angles P-C4'-P energy: -45.492
tors. eta vs tors. theta energy: -77.893
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: 293
Temperature: 1.150000
Total energy: -825.122861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.122861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.122861 (E_RNA)
where:
Base-Base interactions energy: -564.865
where: short stacking energy: -260.052
Base-Backbone interact. energy: -0.678
local terms energy: -259.579652
where:
bonds (distance) C4'-P energy: -48.330
bonds (distance) P-C4' energy: -53.264
flat angles C4'-P-C4' energy: -60.429
flat angles P-C4'-P energy: -45.764
tors. eta vs tors. theta energy: -51.793
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: 9
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -827.136617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.136617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.136617 (E_RNA)
where:
Base-Base interactions energy: -546.684
where: short stacking energy: -222.723
Base-Backbone interact. energy: -0.381
local terms energy: -280.071995
where:
bonds (distance) C4'-P energy: -63.498
bonds (distance) P-C4' energy: -53.300
flat angles C4'-P-C4' energy: -65.695
flat angles P-C4'-P energy: -41.877
tors. eta vs tors. theta energy: -55.702
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: 6
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -717.006999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.006999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.006999 (E_RNA)
where:
Base-Base interactions energy: -474.581
where: short stacking energy: -205.043
Base-Backbone interact. energy: -2.441
local terms energy: -239.984653
where:
bonds (distance) C4'-P energy: -56.928
bonds (distance) P-C4' energy: -45.068
flat angles C4'-P-C4' energy: -69.239
flat angles P-C4'-P energy: -29.919
tors. eta vs tors. theta energy: -38.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -511.009887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.009887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.009887 (E_RNA)
where:
Base-Base interactions energy: -323.445
where: short stacking energy: -177.966
Base-Backbone interact. energy: -1.385
local terms energy: -186.180730
where:
bonds (distance) C4'-P energy: -55.760
bonds (distance) P-C4' energy: -34.847
flat angles C4'-P-C4' energy: -40.292
flat angles P-C4'-P energy: -30.500
tors. eta vs tors. theta energy: -24.782
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: 7
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -369.000181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.000181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.000181 (E_RNA)
where:
Base-Base interactions energy: -164.147
where: short stacking energy: -100.804
Base-Backbone interact. energy: 2.681
local terms energy: -207.535076
where:
bonds (distance) C4'-P energy: -58.015
bonds (distance) P-C4' energy: -49.488
flat angles C4'-P-C4' energy: -53.871
flat angles P-C4'-P energy: -27.238
tors. eta vs tors. theta energy: -18.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -1199.618095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.618095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.618095 (E_RNA)
where:
Base-Base interactions energy: -835.108
where: short stacking energy: -363.221
Base-Backbone interact. energy: -2.061
local terms energy: -362.449020
where:
bonds (distance) C4'-P energy: -72.382
bonds (distance) P-C4' energy: -66.162
flat angles C4'-P-C4' energy: -76.786
flat angles P-C4'-P energy: -42.157
tors. eta vs tors. theta energy: -104.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -1135.909551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.909551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.909551 (E_RNA)
where:
Base-Base interactions energy: -809.567
where: short stacking energy: -323.701
Base-Backbone interact. energy: -1.078
local terms energy: -325.264302
where:
bonds (distance) C4'-P energy: -52.798
bonds (distance) P-C4' energy: -61.653
flat angles C4'-P-C4' energy: -76.734
flat angles P-C4'-P energy: -46.816
tors. eta vs tors. theta energy: -87.264
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: 294
Temperature: 1.000000
Total energy: -1080.505087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.505087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.505087 (E_RNA)
where:
Base-Base interactions energy: -734.845
where: short stacking energy: -327.011
Base-Backbone interact. energy: -0.946
local terms energy: -344.714375
where:
bonds (distance) C4'-P energy: -55.819
bonds (distance) P-C4' energy: -68.745
flat angles C4'-P-C4' energy: -74.435
flat angles P-C4'-P energy: -52.003
tors. eta vs tors. theta energy: -93.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -1011.418032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.418032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.418032 (E_RNA)
where:
Base-Base interactions energy: -692.166
where: short stacking energy: -320.814
Base-Backbone interact. energy: 2.451
local terms energy: -321.703307
where:
bonds (distance) C4'-P energy: -54.905
bonds (distance) P-C4' energy: -47.830
flat angles C4'-P-C4' energy: -77.165
flat angles P-C4'-P energy: -47.997
tors. eta vs tors. theta energy: -93.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -928.387909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.387909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.387909 (E_RNA)
where:
Base-Base interactions energy: -637.544
where: short stacking energy: -280.345
Base-Backbone interact. energy: -0.891
local terms energy: -289.952093
where:
bonds (distance) C4'-P energy: -51.169
bonds (distance) P-C4' energy: -56.963
flat angles C4'-P-C4' energy: -70.709
flat angles P-C4'-P energy: -43.447
tors. eta vs tors. theta energy: -67.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -848.252155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.252155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.252155 (E_RNA)
where:
Base-Base interactions energy: -586.937
where: short stacking energy: -259.176
Base-Backbone interact. energy: 1.735
local terms energy: -263.050536
where:
bonds (distance) C4'-P energy: -42.507
bonds (distance) P-C4' energy: -55.023
flat angles C4'-P-C4' energy: -54.246
flat angles P-C4'-P energy: -47.815
tors. eta vs tors. theta energy: -63.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -854.247806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.247806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.247806 (E_RNA)
where:
Base-Base interactions energy: -573.698
where: short stacking energy: -232.840
Base-Backbone interact. energy: -0.914
local terms energy: -279.636074
where:
bonds (distance) C4'-P energy: -49.548
bonds (distance) P-C4' energy: -70.358
flat angles C4'-P-C4' energy: -63.328
flat angles P-C4'-P energy: -38.176
tors. eta vs tors. theta energy: -58.226
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: 8, replica: 6
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -729.152398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.152398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.152398 (E_RNA)
where:
Base-Base interactions energy: -483.070
where: short stacking energy: -230.261
Base-Backbone interact. energy: -2.189
local terms energy: -243.892522
where:
bonds (distance) C4'-P energy: -51.442
bonds (distance) P-C4' energy: -56.046
flat angles C4'-P-C4' energy: -59.891
flat angles P-C4'-P energy: -24.364
tors. eta vs tors. theta energy: -52.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -498.012263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.012263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.012263 (E_RNA)
where:
Base-Base interactions energy: -300.586
where: short stacking energy: -155.731
Base-Backbone interact. energy: 0.088
local terms energy: -197.514081
where:
bonds (distance) C4'-P energy: -48.282
bonds (distance) P-C4' energy: -65.000
flat angles C4'-P-C4' energy: -46.562
flat angles P-C4'-P energy: -17.970
tors. eta vs tors. theta energy: -19.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -347.333028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.333028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.333028 (E_RNA)
where:
Base-Base interactions energy: -141.992
where: short stacking energy: -83.453
Base-Backbone interact. energy: 3.075
local terms energy: -208.415798
where:
bonds (distance) C4'-P energy: -64.918
bonds (distance) P-C4' energy: -70.179
flat angles C4'-P-C4' energy: -47.022
flat angles P-C4'-P energy: -37.852
tors. eta vs tors. theta energy: 11.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -1153.028862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.028862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.028862 (E_RNA)
where:
Base-Base interactions energy: -789.600
where: short stacking energy: -344.738
Base-Backbone interact. energy: -1.072
local terms energy: -362.357263
where:
bonds (distance) C4'-P energy: -69.978
bonds (distance) P-C4' energy: -69.881
flat angles C4'-P-C4' energy: -76.139
flat angles P-C4'-P energy: -44.303
tors. eta vs tors. theta energy: -102.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -1106.444798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.444798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.444798 (E_RNA)
where:
Base-Base interactions energy: -738.596
where: short stacking energy: -334.124
Base-Backbone interact. energy: -3.571
local terms energy: -364.277472
where:
bonds (distance) C4'-P energy: -74.936
bonds (distance) P-C4' energy: -67.699
flat angles C4'-P-C4' energy: -73.551
flat angles P-C4'-P energy: -47.259
tors. eta vs tors. theta energy: -100.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -1104.406440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.406440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.406440 (E_RNA)
where:
Base-Base interactions energy: -777.192
where: short stacking energy: -327.462
Base-Backbone interact. energy: -2.482
local terms energy: -324.732568
where:
bonds (distance) C4'-P energy: -58.382
bonds (distance) P-C4' energy: -65.636
flat angles C4'-P-C4' energy: -75.502
flat angles P-C4'-P energy: -39.978
tors. eta vs tors. theta energy: -85.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -994.179892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.179892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.179892 (E_RNA)
where:
Base-Base interactions energy: -673.812
where: short stacking energy: -302.515
Base-Backbone interact. energy: -2.209
local terms energy: -318.158645
where:
bonds (distance) C4'-P energy: -56.389
bonds (distance) P-C4' energy: -64.384
flat angles C4'-P-C4' energy: -72.091
flat angles P-C4'-P energy: -41.944
tors. eta vs tors. theta energy: -83.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -966.178271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.178271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.178271 (E_RNA)
where:
Base-Base interactions energy: -660.279
where: short stacking energy: -305.740
Base-Backbone interact. energy: -1.171
local terms energy: -304.728074
where:
bonds (distance) C4'-P energy: -52.055
bonds (distance) P-C4' energy: -52.140
flat angles C4'-P-C4' energy: -75.719
flat angles P-C4'-P energy: -42.850
tors. eta vs tors. theta energy: -81.965
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: 6, replica: 9
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -841.915700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.915700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.915700 (E_RNA)
where:
Base-Base interactions energy: -563.358
where: short stacking energy: -245.522
Base-Backbone interact. energy: -1.338
local terms energy: -277.219442
where:
bonds (distance) C4'-P energy: -51.731
bonds (distance) P-C4' energy: -67.031
flat angles C4'-P-C4' energy: -59.013
flat angles P-C4'-P energy: -41.749
tors. eta vs tors. theta energy: -57.695
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: 3
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -774.408461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.408461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.408461 (E_RNA)
where:
Base-Base interactions energy: -507.659
where: short stacking energy: -246.590
Base-Backbone interact. energy: 0.250
local terms energy: -266.999487
where:
bonds (distance) C4'-P energy: -60.597
bonds (distance) P-C4' energy: -50.670
flat angles C4'-P-C4' energy: -55.942
flat angles P-C4'-P energy: -43.514
tors. eta vs tors. theta energy: -56.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -762.019133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.019133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.019133 (E_RNA)
where:
Base-Base interactions energy: -496.199
where: short stacking energy: -199.624
Base-Backbone interact. energy: -2.223
local terms energy: -263.596608
where:
bonds (distance) C4'-P energy: -60.151
bonds (distance) P-C4' energy: -56.636
flat angles C4'-P-C4' energy: -55.564
flat angles P-C4'-P energy: -37.945
tors. eta vs tors. theta energy: -53.300
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: 5
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -452.626209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.626209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.626209 (E_RNA)
where:
Base-Base interactions energy: -243.848
where: short stacking energy: -124.197
Base-Backbone interact. energy: 0.434
local terms energy: -209.211985
where:
bonds (distance) C4'-P energy: -50.446
bonds (distance) P-C4' energy: -68.523
flat angles C4'-P-C4' energy: -50.602
flat angles P-C4'-P energy: -33.932
tors. eta vs tors. theta energy: -5.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -356.382975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.382975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.382975 (E_RNA)
where:
Base-Base interactions energy: -178.034
where: short stacking energy: -106.971
Base-Backbone interact. energy: 0.444
local terms energy: -178.792750
where:
bonds (distance) C4'-P energy: -55.157
bonds (distance) P-C4' energy: -58.955
flat angles C4'-P-C4' energy: -35.298
flat angles P-C4'-P energy: -31.551
tors. eta vs tors. theta energy: 2.168
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: 1
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -1176.698610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.698610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.698610 (E_RNA)
where:
Base-Base interactions energy: -810.166
where: short stacking energy: -365.546
Base-Backbone interact. energy: -0.686
local terms energy: -365.846725
where:
bonds (distance) C4'-P energy: -62.425
bonds (distance) P-C4' energy: -68.566
flat angles C4'-P-C4' energy: -81.736
flat angles P-C4'-P energy: -52.953
tors. eta vs tors. theta energy: -100.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -1087.700492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.700492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.700492 (E_RNA)
where:
Base-Base interactions energy: -743.892
where: short stacking energy: -335.823
Base-Backbone interact. energy: -1.547
local terms energy: -342.262088
where:
bonds (distance) C4'-P energy: -65.342
bonds (distance) P-C4' energy: -65.005
flat angles C4'-P-C4' energy: -69.993
flat angles P-C4'-P energy: -46.865
tors. eta vs tors. theta energy: -95.058
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: 8
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -1083.207089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.207089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.207089 (E_RNA)
where:
Base-Base interactions energy: -758.492
where: short stacking energy: -314.769
Base-Backbone interact. energy: 1.457
local terms energy: -326.171979
where:
bonds (distance) C4'-P energy: -56.967
bonds (distance) P-C4' energy: -67.113
flat angles C4'-P-C4' energy: -72.742
flat angles P-C4'-P energy: -43.250
tors. eta vs tors. theta energy: -86.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -980.812452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.812452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.812452 (E_RNA)
where:
Base-Base interactions energy: -658.462
where: short stacking energy: -307.910
Base-Backbone interact. energy: -1.553
local terms energy: -320.797474
where:
bonds (distance) C4'-P energy: -53.306
bonds (distance) P-C4' energy: -68.869
flat angles C4'-P-C4' energy: -65.704
flat angles P-C4'-P energy: -42.171
tors. eta vs tors. theta energy: -90.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -965.352491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.352491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.352491 (E_RNA)
where:
Base-Base interactions energy: -656.371
where: short stacking energy: -294.927
Base-Backbone interact. energy: -1.147
local terms energy: -307.834507
where:
bonds (distance) C4'-P energy: -55.768
bonds (distance) P-C4' energy: -56.894
flat angles C4'-P-C4' energy: -65.340
flat angles P-C4'-P energy: -47.114
tors. eta vs tors. theta energy: -82.719
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: 6, replica: 9
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -835.227444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.227444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.227444 (E_RNA)
where:
Base-Base interactions energy: -540.845
where: short stacking energy: -243.992
Base-Backbone interact. energy: 0.360
local terms energy: -294.742410
where:
bonds (distance) C4'-P energy: -61.099
bonds (distance) P-C4' energy: -66.281
flat angles C4'-P-C4' energy: -66.538
flat angles P-C4'-P energy: -33.397
tors. eta vs tors. theta energy: -67.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -763.948553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.948553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.948553 (E_RNA)
where:
Base-Base interactions energy: -490.795
where: short stacking energy: -206.387
Base-Backbone interact. energy: 0.885
local terms energy: -274.038175
where:
bonds (distance) C4'-P energy: -67.631
bonds (distance) P-C4' energy: -56.352
flat angles C4'-P-C4' energy: -66.900
flat angles P-C4'-P energy: -27.884
tors. eta vs tors. theta energy: -55.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -749.394956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.394956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.394956 (E_RNA)
where:
Base-Base interactions energy: -491.352
where: short stacking energy: -224.268
Base-Backbone interact. energy: 0.772
local terms energy: -258.815171
where:
bonds (distance) C4'-P energy: -56.468
bonds (distance) P-C4' energy: -51.707
flat angles C4'-P-C4' energy: -50.240
flat angles P-C4'-P energy: -47.132
tors. eta vs tors. theta energy: -53.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -446.719762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.719762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.719762 (E_RNA)
where:
Base-Base interactions energy: -229.460
where: short stacking energy: -123.139
Base-Backbone interact. energy: 3.045
local terms energy: -220.304325
where:
bonds (distance) C4'-P energy: -47.867
bonds (distance) P-C4' energy: -65.351
flat angles C4'-P-C4' energy: -57.443
flat angles P-C4'-P energy: -31.354
tors. eta vs tors. theta energy: -18.290
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: 7
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -326.366362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.366362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.366362 (E_RNA)
where:
Base-Base interactions energy: -148.517
where: short stacking energy: -104.298
Base-Backbone interact. energy: -0.986
local terms energy: -176.863097
where:
bonds (distance) C4'-P energy: -52.224
bonds (distance) P-C4' energy: -60.190
flat angles C4'-P-C4' energy: -40.741
flat angles P-C4'-P energy: -24.981
tors. eta vs tors. theta energy: 1.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -1169.924907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.924907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.924907 (E_RNA)
where:
Base-Base interactions energy: -801.343
where: short stacking energy: -352.262
Base-Backbone interact. energy: 0.049
local terms energy: -368.631632
where:
bonds (distance) C4'-P energy: -68.687
bonds (distance) P-C4' energy: -68.024
flat angles C4'-P-C4' energy: -72.843
flat angles P-C4'-P energy: -57.222
tors. eta vs tors. theta energy: -101.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -1118.877424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.877424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.877424 (E_RNA)
where:
Base-Base interactions energy: -777.980
where: short stacking energy: -328.613
Base-Backbone interact. energy: -1.557
local terms energy: -339.340481
where:
bonds (distance) C4'-P energy: -66.621
bonds (distance) P-C4' energy: -65.693
flat angles C4'-P-C4' energy: -68.008
flat angles P-C4'-P energy: -51.156
tors. eta vs tors. theta energy: -87.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -1083.067790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.067790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.067790 (E_RNA)
where:
Base-Base interactions energy: -744.879
where: short stacking energy: -338.975
Base-Backbone interact. energy: -3.127
local terms energy: -335.062003
where:
bonds (distance) C4'-P energy: -55.799
bonds (distance) P-C4' energy: -60.731
flat angles C4'-P-C4' energy: -80.634
flat angles P-C4'-P energy: -42.942
tors. eta vs tors. theta energy: -94.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -1003.362712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.362712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.362712 (E_RNA)
where:
Base-Base interactions energy: -685.880
where: short stacking energy: -296.682
Base-Backbone interact. energy: -0.589
local terms energy: -316.893752
where:
bonds (distance) C4'-P energy: -50.367
bonds (distance) P-C4' energy: -71.199
flat angles C4'-P-C4' energy: -68.528
flat angles P-C4'-P energy: -47.397
tors. eta vs tors. theta energy: -79.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -960.615389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.615389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.615389 (E_RNA)
where:
Base-Base interactions energy: -645.227
where: short stacking energy: -303.360
Base-Backbone interact. energy: -0.180
local terms energy: -315.209097
where:
bonds (distance) C4'-P energy: -70.533
bonds (distance) P-C4' energy: -60.818
flat angles C4'-P-C4' energy: -59.145
flat angles P-C4'-P energy: -39.290
tors. eta vs tors. theta energy: -85.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -840.069995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.069995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.069995 (E_RNA)
where:
Base-Base interactions energy: -568.915
where: short stacking energy: -253.357
Base-Backbone interact. energy: 1.162
local terms energy: -272.317172
where:
bonds (distance) C4'-P energy: -56.775
bonds (distance) P-C4' energy: -62.769
flat angles C4'-P-C4' energy: -59.833
flat angles P-C4'-P energy: -23.421
tors. eta vs tors. theta energy: -69.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -771.858269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.858269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.858269 (E_RNA)
where:
Base-Base interactions energy: -528.248
where: short stacking energy: -237.003
Base-Backbone interact. energy: 4.223
local terms energy: -247.834027
where:
bonds (distance) C4'-P energy: -49.057
bonds (distance) P-C4' energy: -53.503
flat angles C4'-P-C4' energy: -57.427
flat angles P-C4'-P energy: -39.344
tors. eta vs tors. theta energy: -48.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -747.023637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.023637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.023637 (E_RNA)
where:
Base-Base interactions energy: -500.364
where: short stacking energy: -222.785
Base-Backbone interact. energy: -2.380
local terms energy: -244.279094
where:
bonds (distance) C4'-P energy: -48.903
bonds (distance) P-C4' energy: -52.580
flat angles C4'-P-C4' energy: -62.804
flat angles P-C4'-P energy: -28.630
tors. eta vs tors. theta energy: -51.363
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: 5
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -471.785882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.785882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.785882 (E_RNA)
where:
Base-Base interactions energy: -252.086
where: short stacking energy: -144.020
Base-Backbone interact. energy: 3.017
local terms energy: -222.716100
where:
bonds (distance) C4'-P energy: -46.485
bonds (distance) P-C4' energy: -59.972
flat angles C4'-P-C4' energy: -52.038
flat angles P-C4'-P energy: -29.793
tors. eta vs tors. theta energy: -34.428
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: 10, replica: 7
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -355.677546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.677546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.677546 (E_RNA)
where:
Base-Base interactions energy: -147.816
where: short stacking energy: -104.907
Base-Backbone interact. energy: -0.171
local terms energy: -207.690433
where:
bonds (distance) C4'-P energy: -57.219
bonds (distance) P-C4' energy: -58.252
flat angles C4'-P-C4' energy: -40.077
flat angles P-C4'-P energy: -36.409
tors. eta vs tors. theta energy: -15.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -1162.798724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.798724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.798724 (E_RNA)
where:
Base-Base interactions energy: -800.681
where: short stacking energy: -371.640
Base-Backbone interact. energy: -1.598
local terms energy: -360.519684
where:
bonds (distance) C4'-P energy: -68.264
bonds (distance) P-C4' energy: -55.200
flat angles C4'-P-C4' energy: -80.332
flat angles P-C4'-P energy: -51.667
tors. eta vs tors. theta energy: -105.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -1104.971846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.971846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.971846 (E_RNA)
where:
Base-Base interactions energy: -755.525
where: short stacking energy: -311.782
Base-Backbone interact. energy: 1.083
local terms energy: -350.529381
where:
bonds (distance) C4'-P energy: -69.201
bonds (distance) P-C4' energy: -66.009
flat angles C4'-P-C4' energy: -72.485
flat angles P-C4'-P energy: -50.603
tors. eta vs tors. theta energy: -92.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -1092.855347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.855347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.855347 (E_RNA)
where:
Base-Base interactions energy: -738.058
where: short stacking energy: -316.387
Base-Backbone interact. energy: -1.923
local terms energy: -352.874509
where:
bonds (distance) C4'-P energy: -61.971
bonds (distance) P-C4' energy: -65.238
flat angles C4'-P-C4' energy: -78.560
flat angles P-C4'-P energy: -53.754
tors. eta vs tors. theta energy: -93.352
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: 4, replica: 4
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -1023.342736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.342736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.342736 (E_RNA)
where:
Base-Base interactions energy: -696.601
where: short stacking energy: -322.842
Base-Backbone interact. energy: -0.971
local terms energy: -325.770082
where:
bonds (distance) C4'-P energy: -62.102
bonds (distance) P-C4' energy: -61.805
flat angles C4'-P-C4' energy: -70.737
flat angles P-C4'-P energy: -46.515
tors. eta vs tors. theta energy: -84.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -986.907408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.907408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.907408 (E_RNA)
where:
Base-Base interactions energy: -676.910
where: short stacking energy: -306.759
Base-Backbone interact. energy: -1.410
local terms energy: -308.587222
where:
bonds (distance) C4'-P energy: -52.604
bonds (distance) P-C4' energy: -53.247
flat angles C4'-P-C4' energy: -78.186
flat angles P-C4'-P energy: -41.499
tors. eta vs tors. theta energy: -83.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -844.269905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.269905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.269905 (E_RNA)
where:
Base-Base interactions energy: -546.886
where: short stacking energy: -235.750
Base-Backbone interact. energy: -0.292
local terms energy: -297.091962
where:
bonds (distance) C4'-P energy: -55.639
bonds (distance) P-C4' energy: -62.736
flat angles C4'-P-C4' energy: -68.028
flat angles P-C4'-P energy: -49.998
tors. eta vs tors. theta energy: -60.691
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: 6
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -742.835003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.835003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.835003 (E_RNA)
where:
Base-Base interactions energy: -485.764
where: short stacking energy: -214.823
Base-Backbone interact. energy: -0.250
local terms energy: -256.820794
where:
bonds (distance) C4'-P energy: -47.246
bonds (distance) P-C4' energy: -60.335
flat angles C4'-P-C4' energy: -58.010
flat angles P-C4'-P energy: -39.085
tors. eta vs tors. theta energy: -52.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -717.213187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.213187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.213187 (E_RNA)
where:
Base-Base interactions energy: -468.840
where: short stacking energy: -201.152
Base-Backbone interact. energy: 3.496
local terms energy: -251.868576
where:
bonds (distance) C4'-P energy: -46.270
bonds (distance) P-C4' energy: -67.386
flat angles C4'-P-C4' energy: -52.192
flat angles P-C4'-P energy: -39.552
tors. eta vs tors. theta energy: -46.469
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: 5
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -470.355684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.355684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.355684 (E_RNA)
where:
Base-Base interactions energy: -241.019
where: short stacking energy: -144.016
Base-Backbone interact. energy: -0.423
local terms energy: -228.913384
where:
bonds (distance) C4'-P energy: -62.151
bonds (distance) P-C4' energy: -51.740
flat angles C4'-P-C4' energy: -56.311
flat angles P-C4'-P energy: -42.087
tors. eta vs tors. theta energy: -16.623
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: 7
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -366.070734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.070734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.070734 (E_RNA)
where:
Base-Base interactions energy: -169.959
where: short stacking energy: -120.074
Base-Backbone interact. energy: -0.968
local terms energy: -195.144133
where:
bonds (distance) C4'-P energy: -46.776
bonds (distance) P-C4' energy: -68.513
flat angles C4'-P-C4' energy: -51.412
flat angles P-C4'-P energy: -26.497
tors. eta vs tors. theta energy: -1.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -1187.207920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.207920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.207920 (E_RNA)
where:
Base-Base interactions energy: -809.456
where: short stacking energy: -366.423
Base-Backbone interact. energy: -1.727
local terms energy: -376.025683
where:
bonds (distance) C4'-P energy: -67.152
bonds (distance) P-C4' energy: -66.018
flat angles C4'-P-C4' energy: -80.048
flat angles P-C4'-P energy: -53.348
tors. eta vs tors. theta energy: -109.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -1114.255993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.255993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.255993 (E_RNA)
where:
Base-Base interactions energy: -765.106
where: short stacking energy: -317.086
Base-Backbone interact. energy: 1.019
local terms energy: -350.169189
where:
bonds (distance) C4'-P energy: -60.530
bonds (distance) P-C4' energy: -75.720
flat angles C4'-P-C4' energy: -71.985
flat angles P-C4'-P energy: -56.946
tors. eta vs tors. theta energy: -84.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -1058.887315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.887315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.887315 (E_RNA)
where:
Base-Base interactions energy: -706.304
where: short stacking energy: -317.475
Base-Backbone interact. energy: -1.403
local terms energy: -351.179782
where:
bonds (distance) C4'-P energy: -62.523
bonds (distance) P-C4' energy: -66.706
flat angles C4'-P-C4' energy: -71.392
flat angles P-C4'-P energy: -55.573
tors. eta vs tors. theta energy: -94.986
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: 4, replica: 4
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -1012.284782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.284782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.284782 (E_RNA)
where:
Base-Base interactions energy: -682.209
where: short stacking energy: -310.334
Base-Backbone interact. energy: -1.262
local terms energy: -328.814598
where:
bonds (distance) C4'-P energy: -62.456
bonds (distance) P-C4' energy: -58.363
flat angles C4'-P-C4' energy: -74.961
flat angles P-C4'-P energy: -48.009
tors. eta vs tors. theta energy: -85.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -971.599599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.599599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.599599 (E_RNA)
where:
Base-Base interactions energy: -656.942
where: short stacking energy: -312.319
Base-Backbone interact. energy: -0.231
local terms energy: -314.426539
where:
bonds (distance) C4'-P energy: -57.049
bonds (distance) P-C4' energy: -59.496
flat angles C4'-P-C4' energy: -64.003
flat angles P-C4'-P energy: -49.405
tors. eta vs tors. theta energy: -84.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -841.854546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.854546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.854546 (E_RNA)
where:
Base-Base interactions energy: -581.041
where: short stacking energy: -259.732
Base-Backbone interact. energy: -0.729
local terms energy: -260.084909
where:
bonds (distance) C4'-P energy: -50.141
bonds (distance) P-C4' energy: -62.184
flat angles C4'-P-C4' energy: -53.526
flat angles P-C4'-P energy: -43.948
tors. eta vs tors. theta energy: -50.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -758.307070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.307070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.307070 (E_RNA)
where:
Base-Base interactions energy: -513.313
where: short stacking energy: -227.802
Base-Backbone interact. energy: -0.177
local terms energy: -244.817591
where:
bonds (distance) C4'-P energy: -54.639
bonds (distance) P-C4' energy: -50.656
flat angles C4'-P-C4' energy: -57.272
flat angles P-C4'-P energy: -32.488
tors. eta vs tors. theta energy: -49.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -724.581078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.581078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.581078 (E_RNA)
where:
Base-Base interactions energy: -494.301
where: short stacking energy: -211.577
Base-Backbone interact. energy: 1.328
local terms energy: -231.607858
where:
bonds (distance) C4'-P energy: -59.026
bonds (distance) P-C4' energy: -46.617
flat angles C4'-P-C4' energy: -47.322
flat angles P-C4'-P energy: -32.096
tors. eta vs tors. theta energy: -46.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -453.605326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.605326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.605326 (E_RNA)
where:
Base-Base interactions energy: -259.078
where: short stacking energy: -151.434
Base-Backbone interact. energy: -0.960
local terms energy: -193.567182
where:
bonds (distance) C4'-P energy: -51.511
bonds (distance) P-C4' energy: -39.174
flat angles C4'-P-C4' energy: -48.280
flat angles P-C4'-P energy: -31.197
tors. eta vs tors. theta energy: -23.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -402.983081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.983081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.983081 (E_RNA)
where:
Base-Base interactions energy: -210.733
where: short stacking energy: -88.124
Base-Backbone interact. energy: 1.723
local terms energy: -193.973367
where:
bonds (distance) C4'-P energy: -64.736
bonds (distance) P-C4' energy: -41.481
flat angles C4'-P-C4' energy: -57.217
flat angles P-C4'-P energy: -33.806
tors. eta vs tors. theta energy: 3.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -1150.304718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.304718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.304718 (E_RNA)
where:
Base-Base interactions energy: -802.238
where: short stacking energy: -352.763
Base-Backbone interact. energy: -1.455
local terms energy: -346.611539
where:
bonds (distance) C4'-P energy: -62.707
bonds (distance) P-C4' energy: -58.651
flat angles C4'-P-C4' energy: -72.463
flat angles P-C4'-P energy: -50.930
tors. eta vs tors. theta energy: -101.860
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: 8
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -1121.149113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.149113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.149113 (E_RNA)
where:
Base-Base interactions energy: -789.754
where: short stacking energy: -304.990
Base-Backbone interact. energy: 0.823
local terms energy: -332.217701
where:
bonds (distance) C4'-P energy: -61.271
bonds (distance) P-C4' energy: -60.822
flat angles C4'-P-C4' energy: -71.786
flat angles P-C4'-P energy: -50.527
tors. eta vs tors. theta energy: -87.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -1090.682152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.682152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.682152 (E_RNA)
where:
Base-Base interactions energy: -741.117
where: short stacking energy: -313.378
Base-Backbone interact. energy: -0.988
local terms energy: -348.576775
where:
bonds (distance) C4'-P energy: -60.275
bonds (distance) P-C4' energy: -58.982
flat angles C4'-P-C4' energy: -77.321
flat angles P-C4'-P energy: -53.477
tors. eta vs tors. theta energy: -98.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -1007.406810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.406810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.406810 (E_RNA)
where:
Base-Base interactions energy: -663.805
where: short stacking energy: -314.983
Base-Backbone interact. energy: -0.846
local terms energy: -342.755859
where:
bonds (distance) C4'-P energy: -63.938
bonds (distance) P-C4' energy: -70.392
flat angles C4'-P-C4' energy: -63.087
flat angles P-C4'-P energy: -50.860
tors. eta vs tors. theta energy: -94.479
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: 5, replica: 2
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -939.408401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.408401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.408401 (E_RNA)
where:
Base-Base interactions energy: -635.250
where: short stacking energy: -275.950
Base-Backbone interact. energy: -0.232
local terms energy: -303.925826
where:
bonds (distance) C4'-P energy: -59.771
bonds (distance) P-C4' energy: -62.767
flat angles C4'-P-C4' energy: -60.655
flat angles P-C4'-P energy: -43.651
tors. eta vs tors. theta energy: -77.081
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: 9
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -847.925616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.925616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.925616 (E_RNA)
where:
Base-Base interactions energy: -598.569
where: short stacking energy: -251.553
Base-Backbone interact. energy: -1.142
local terms energy: -248.214427
where:
bonds (distance) C4'-P energy: -43.420
bonds (distance) P-C4' energy: -50.684
flat angles C4'-P-C4' energy: -61.337
flat angles P-C4'-P energy: -41.303
tors. eta vs tors. theta energy: -51.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -779.327177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.327177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.327177 (E_RNA)
where:
Base-Base interactions energy: -516.647
where: short stacking energy: -235.464
Base-Backbone interact. energy: -1.674
local terms energy: -261.006192
where:
bonds (distance) C4'-P energy: -58.669
bonds (distance) P-C4' energy: -62.907
flat angles C4'-P-C4' energy: -55.915
flat angles P-C4'-P energy: -36.862
tors. eta vs tors. theta energy: -46.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -731.460750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.460750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.460750 (E_RNA)
where:
Base-Base interactions energy: -468.372
where: short stacking energy: -212.890
Base-Backbone interact. energy: -0.115
local terms energy: -262.973775
where:
bonds (distance) C4'-P energy: -64.290
bonds (distance) P-C4' energy: -52.245
flat angles C4'-P-C4' energy: -53.503
flat angles P-C4'-P energy: -43.368
tors. eta vs tors. theta energy: -49.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -465.507756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.507756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.507756 (E_RNA)
where:
Base-Base interactions energy: -249.924
where: short stacking energy: -130.145
Base-Backbone interact. energy: -1.524
local terms energy: -214.060055
where:
bonds (distance) C4'-P energy: -40.884
bonds (distance) P-C4' energy: -63.698
flat angles C4'-P-C4' energy: -55.366
flat angles P-C4'-P energy: -41.982
tors. eta vs tors. theta energy: -12.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -407.120495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.120495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.120495 (E_RNA)
where:
Base-Base interactions energy: -212.323
where: short stacking energy: -113.117
Base-Backbone interact. energy: -1.844
local terms energy: -192.953568
where:
bonds (distance) C4'-P energy: -49.753
bonds (distance) P-C4' energy: -59.520
flat angles C4'-P-C4' energy: -57.381
flat angles P-C4'-P energy: -24.699
tors. eta vs tors. theta energy: -1.601
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: 1
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -1168.848501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.848501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.848501 (E_RNA)
where:
Base-Base interactions energy: -807.553
where: short stacking energy: -363.525
Base-Backbone interact. energy: -1.794
local terms energy: -359.501431
where:
bonds (distance) C4'-P energy: -61.167
bonds (distance) P-C4' energy: -64.815
flat angles C4'-P-C4' energy: -79.700
flat angles P-C4'-P energy: -46.716
tors. eta vs tors. theta energy: -107.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -1097.405155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.405155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.405155 (E_RNA)
where:
Base-Base interactions energy: -760.916
where: short stacking energy: -314.928
Base-Backbone interact. energy: -3.142
local terms energy: -333.347483
where:
bonds (distance) C4'-P energy: -68.856
bonds (distance) P-C4' energy: -61.940
flat angles C4'-P-C4' energy: -71.762
flat angles P-C4'-P energy: -53.517
tors. eta vs tors. theta energy: -77.272
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: 10
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -1077.854001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.854001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.854001 (E_RNA)
where:
Base-Base interactions energy: -736.449
where: short stacking energy: -338.588
Base-Backbone interact. energy: -0.855
local terms energy: -340.550070
where:
bonds (distance) C4'-P energy: -61.207
bonds (distance) P-C4' energy: -67.121
flat angles C4'-P-C4' energy: -66.462
flat angles P-C4'-P energy: -50.338
tors. eta vs tors. theta energy: -95.421
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: 4, replica: 4
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -993.891883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.891883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.891883 (E_RNA)
where:
Base-Base interactions energy: -656.293
where: short stacking energy: -291.645
Base-Backbone interact. energy: -1.387
local terms energy: -336.212184
where:
bonds (distance) C4'-P energy: -67.290
bonds (distance) P-C4' energy: -68.226
flat angles C4'-P-C4' energy: -65.999
flat angles P-C4'-P energy: -48.124
tors. eta vs tors. theta energy: -86.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -947.481945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.481945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.481945 (E_RNA)
where:
Base-Base interactions energy: -625.092
where: short stacking energy: -284.853
Base-Backbone interact. energy: -1.570
local terms energy: -320.820147
where:
bonds (distance) C4'-P energy: -55.281
bonds (distance) P-C4' energy: -66.251
flat angles C4'-P-C4' energy: -71.037
flat angles P-C4'-P energy: -48.725
tors. eta vs tors. theta energy: -79.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -838.531502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.531502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.531502 (E_RNA)
where:
Base-Base interactions energy: -588.970
where: short stacking energy: -237.870
Base-Backbone interact. energy: 4.044
local terms energy: -253.604841
where:
bonds (distance) C4'-P energy: -44.871
bonds (distance) P-C4' energy: -59.211
flat angles C4'-P-C4' energy: -58.000
flat angles P-C4'-P energy: -38.949
tors. eta vs tors. theta energy: -52.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -764.943009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.943009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.943009 (E_RNA)
where:
Base-Base interactions energy: -511.672
where: short stacking energy: -218.940
Base-Backbone interact. energy: -0.380
local terms energy: -252.891010
where:
bonds (distance) C4'-P energy: -65.293
bonds (distance) P-C4' energy: -57.285
flat angles C4'-P-C4' energy: -38.728
flat angles P-C4'-P energy: -44.327
tors. eta vs tors. theta energy: -47.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -772.398045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.398045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.398045 (E_RNA)
where:
Base-Base interactions energy: -498.564
where: short stacking energy: -223.112
Base-Backbone interact. energy: 1.396
local terms energy: -275.229486
where:
bonds (distance) C4'-P energy: -39.710
bonds (distance) P-C4' energy: -69.512
flat angles C4'-P-C4' energy: -67.167
flat angles P-C4'-P energy: -32.740
tors. eta vs tors. theta energy: -66.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -457.892700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.892700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.892700 (E_RNA)
where:
Base-Base interactions energy: -238.790
where: short stacking energy: -137.292
Base-Backbone interact. energy: 0.085
local terms energy: -219.187626
where:
bonds (distance) C4'-P energy: -52.555
bonds (distance) P-C4' energy: -44.716
flat angles C4'-P-C4' energy: -71.135
flat angles P-C4'-P energy: -30.574
tors. eta vs tors. theta energy: -20.206
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: 7
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -288.566717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.566717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.566717 (E_RNA)
where:
Base-Base interactions energy: -92.611
where: short stacking energy: -77.819
Base-Backbone interact. energy: 1.143
local terms energy: -197.098679
where:
bonds (distance) C4'-P energy: -55.228
bonds (distance) P-C4' energy: -64.036
flat angles C4'-P-C4' energy: -50.035
flat angles P-C4'-P energy: -29.128
tors. eta vs tors. theta energy: 1.329
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: 1
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -1176.738483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.738483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.738483 (E_RNA)
where:
Base-Base interactions energy: -812.921
where: short stacking energy: -349.627
Base-Backbone interact. energy: 0.272
local terms energy: -364.089634
where:
bonds (distance) C4'-P energy: -58.693
bonds (distance) P-C4' energy: -65.369
flat angles C4'-P-C4' energy: -80.246
flat angles P-C4'-P energy: -48.924
tors. eta vs tors. theta energy: -110.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -1132.056807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.056807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.056807 (E_RNA)
where:
Base-Base interactions energy: -790.482
where: short stacking energy: -339.819
Base-Backbone interact. energy: 5.862
local terms energy: -347.437713
where:
bonds (distance) C4'-P energy: -54.675
bonds (distance) P-C4' energy: -69.544
flat angles C4'-P-C4' energy: -79.331
flat angles P-C4'-P energy: -50.120
tors. eta vs tors. theta energy: -93.767
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: 10
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -1071.948001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.948001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.948001 (E_RNA)
where:
Base-Base interactions energy: -739.400
where: short stacking energy: -305.150
Base-Backbone interact. energy: -2.642
local terms energy: -329.905757
where:
bonds (distance) C4'-P energy: -60.160
bonds (distance) P-C4' energy: -55.869
flat angles C4'-P-C4' energy: -70.846
flat angles P-C4'-P energy: -46.183
tors. eta vs tors. theta energy: -96.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -982.154817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.154817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.154817 (E_RNA)
where:
Base-Base interactions energy: -683.003
where: short stacking energy: -298.872
Base-Backbone interact. energy: -0.487
local terms energy: -298.665302
where:
bonds (distance) C4'-P energy: -54.512
bonds (distance) P-C4' energy: -52.379
flat angles C4'-P-C4' energy: -69.738
flat angles P-C4'-P energy: -33.854
tors. eta vs tors. theta energy: -88.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -949.633055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.633055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.633055 (E_RNA)
where:
Base-Base interactions energy: -630.893
where: short stacking energy: -286.934
Base-Backbone interact. energy: 0.828
local terms energy: -319.568903
where:
bonds (distance) C4'-P energy: -59.797
bonds (distance) P-C4' energy: -65.889
flat angles C4'-P-C4' energy: -73.000
flat angles P-C4'-P energy: -43.886
tors. eta vs tors. theta energy: -76.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -851.093586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.093586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.093586 (E_RNA)
where:
Base-Base interactions energy: -557.909
where: short stacking energy: -233.256
Base-Backbone interact. energy: -0.368
local terms energy: -292.816088
where:
bonds (distance) C4'-P energy: -60.129
bonds (distance) P-C4' energy: -61.495
flat angles C4'-P-C4' energy: -71.775
flat angles P-C4'-P energy: -42.716
tors. eta vs tors. theta energy: -56.700
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: 302
Temperature: 1.200000
Total energy: -790.560640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.560640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.560640 (E_RNA)
where:
Base-Base interactions energy: -539.143
where: short stacking energy: -223.921
Base-Backbone interact. energy: -0.663
local terms energy: -250.754997
where:
bonds (distance) C4'-P energy: -49.658
bonds (distance) P-C4' energy: -61.558
flat angles C4'-P-C4' energy: -61.169
flat angles P-C4'-P energy: -28.828
tors. eta vs tors. theta energy: -49.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -734.327688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.327688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.327688 (E_RNA)
where:
Base-Base interactions energy: -475.608
where: short stacking energy: -215.602
Base-Backbone interact. energy: -1.244
local terms energy: -257.475802
where:
bonds (distance) C4'-P energy: -47.162
bonds (distance) P-C4' energy: -64.810
flat angles C4'-P-C4' energy: -50.775
flat angles P-C4'-P energy: -45.311
tors. eta vs tors. theta energy: -49.418
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: 5
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -463.558568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.558568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.558568 (E_RNA)
where:
Base-Base interactions energy: -251.903
where: short stacking energy: -143.238
Base-Backbone interact. energy: 1.786
local terms energy: -213.441820
where:
bonds (distance) C4'-P energy: -45.349
bonds (distance) P-C4' energy: -51.321
flat angles C4'-P-C4' energy: -66.070
flat angles P-C4'-P energy: -34.246
tors. eta vs tors. theta energy: -16.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -275.586087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.586087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.586087 (E_RNA)
where:
Base-Base interactions energy: -110.874
where: short stacking energy: -73.430
Base-Backbone interact. energy: 2.633
local terms energy: -167.344909
where:
bonds (distance) C4'-P energy: -52.156
bonds (distance) P-C4' energy: -58.649
flat angles C4'-P-C4' energy: -35.418
flat angles P-C4'-P energy: -27.576
tors. eta vs tors. theta energy: 6.454
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: 1
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -1186.625325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.625325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.625325 (E_RNA)
where:
Base-Base interactions energy: -822.946
where: short stacking energy: -354.821
Base-Backbone interact. energy: -1.236
local terms energy: -362.443854
where:
bonds (distance) C4'-P energy: -69.826
bonds (distance) P-C4' energy: -58.039
flat angles C4'-P-C4' energy: -76.409
flat angles P-C4'-P energy: -52.501
tors. eta vs tors. theta energy: -105.669
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: 8
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -1161.093708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.093708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.093708 (E_RNA)
where:
Base-Base interactions energy: -825.501
where: short stacking energy: -351.460
Base-Backbone interact. energy: 4.691
local terms energy: -340.283774
where:
bonds (distance) C4'-P energy: -67.869
bonds (distance) P-C4' energy: -65.646
flat angles C4'-P-C4' energy: -76.198
flat angles P-C4'-P energy: -44.275
tors. eta vs tors. theta energy: -86.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -1086.096308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.096308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.096308 (E_RNA)
where:
Base-Base interactions energy: -748.052
where: short stacking energy: -321.332
Base-Backbone interact. energy: -0.771
local terms energy: -337.273124
where:
bonds (distance) C4'-P energy: -64.615
bonds (distance) P-C4' energy: -60.962
flat angles C4'-P-C4' energy: -64.848
flat angles P-C4'-P energy: -46.250
tors. eta vs tors. theta energy: -100.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -1025.554638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.554638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.554638 (E_RNA)
where:
Base-Base interactions energy: -689.362
where: short stacking energy: -306.064
Base-Backbone interact. energy: 0.210
local terms energy: -336.402469
where:
bonds (distance) C4'-P energy: -69.273
bonds (distance) P-C4' energy: -63.844
flat angles C4'-P-C4' energy: -76.191
flat angles P-C4'-P energy: -39.355
tors. eta vs tors. theta energy: -87.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -953.814716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.814716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.814716 (E_RNA)
where:
Base-Base interactions energy: -628.997
where: short stacking energy: -283.134
Base-Backbone interact. energy: 3.665
local terms energy: -328.482411
where:
bonds (distance) C4'-P energy: -63.292
bonds (distance) P-C4' energy: -63.229
flat angles C4'-P-C4' energy: -64.780
flat angles P-C4'-P energy: -51.312
tors. eta vs tors. theta energy: -85.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -823.415765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.415765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.415765 (E_RNA)
where:
Base-Base interactions energy: -554.639
where: short stacking energy: -234.873
Base-Backbone interact. energy: -0.438
local terms energy: -268.338818
where:
bonds (distance) C4'-P energy: -56.591
bonds (distance) P-C4' energy: -53.610
flat angles C4'-P-C4' energy: -60.151
flat angles P-C4'-P energy: -40.621
tors. eta vs tors. theta energy: -57.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -816.540459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.540459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.540459 (E_RNA)
where:
Base-Base interactions energy: -545.089
where: short stacking energy: -224.475
Base-Backbone interact. energy: 2.304
local terms energy: -273.754935
where:
bonds (distance) C4'-P energy: -48.371
bonds (distance) P-C4' energy: -62.509
flat angles C4'-P-C4' energy: -62.899
flat angles P-C4'-P energy: -39.594
tors. eta vs tors. theta energy: -60.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -708.453014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.453014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.453014 (E_RNA)
where:
Base-Base interactions energy: -454.794
where: short stacking energy: -208.889
Base-Backbone interact. energy: -0.692
local terms energy: -252.966925
where:
bonds (distance) C4'-P energy: -52.232
bonds (distance) P-C4' energy: -57.125
flat angles C4'-P-C4' energy: -58.459
flat angles P-C4'-P energy: -36.557
tors. eta vs tors. theta energy: -48.594
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: 303
Temperature: 1.300000
Total energy: -440.324101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.324101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.324101 (E_RNA)
where:
Base-Base interactions energy: -252.458
where: short stacking energy: -129.162
Base-Backbone interact. energy: 0.608
local terms energy: -188.473310
where:
bonds (distance) C4'-P energy: -32.497
bonds (distance) P-C4' energy: -52.359
flat angles C4'-P-C4' energy: -59.276
flat angles P-C4'-P energy: -31.522
tors. eta vs tors. theta energy: -12.819
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: 7
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -320.866095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.866095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.866095 (E_RNA)
where:
Base-Base interactions energy: -154.610
where: short stacking energy: -86.780
Base-Backbone interact. energy: 2.035
local terms energy: -168.290601
where:
bonds (distance) C4'-P energy: -63.405
bonds (distance) P-C4' energy: -47.906
flat angles C4'-P-C4' energy: -44.475
flat angles P-C4'-P energy: -24.024
tors. eta vs tors. theta energy: 11.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -1184.149071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.149071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.149071 (E_RNA)
where:
Base-Base interactions energy: -813.702
where: short stacking energy: -358.267
Base-Backbone interact. energy: -0.107
local terms energy: -370.340557
where:
bonds (distance) C4'-P energy: -72.730
bonds (distance) P-C4' energy: -60.805
flat angles C4'-P-C4' energy: -74.332
flat angles P-C4'-P energy: -48.103
tors. eta vs tors. theta energy: -114.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -1133.219310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.219310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.219310 (E_RNA)
where:
Base-Base interactions energy: -807.064
where: short stacking energy: -332.351
Base-Backbone interact. energy: 5.376
local terms energy: -331.532107
where:
bonds (distance) C4'-P energy: -63.614
bonds (distance) P-C4' energy: -65.947
flat angles C4'-P-C4' energy: -68.203
flat angles P-C4'-P energy: -47.528
tors. eta vs tors. theta energy: -86.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -1095.686798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.686798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.686798 (E_RNA)
where:
Base-Base interactions energy: -748.872
where: short stacking energy: -330.017
Base-Backbone interact. energy: -0.498
local terms energy: -346.316925
where:
bonds (distance) C4'-P energy: -60.662
bonds (distance) P-C4' energy: -61.141
flat angles C4'-P-C4' energy: -67.696
flat angles P-C4'-P energy: -53.765
tors. eta vs tors. theta energy: -103.054
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: 4
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -1006.394310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.394310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.394310 (E_RNA)
where:
Base-Base interactions energy: -671.459
where: short stacking energy: -291.581
Base-Backbone interact. energy: -0.683
local terms energy: -334.251516
where:
bonds (distance) C4'-P energy: -65.187
bonds (distance) P-C4' energy: -71.581
flat angles C4'-P-C4' energy: -67.705
flat angles P-C4'-P energy: -44.794
tors. eta vs tors. theta energy: -84.984
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: 5, replica: 2
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -967.042765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.042765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.042765 (E_RNA)
where:
Base-Base interactions energy: -679.902
where: short stacking energy: -294.388
Base-Backbone interact. energy: -0.863
local terms energy: -286.277867
where:
bonds (distance) C4'-P energy: -54.724
bonds (distance) P-C4' energy: -60.923
flat angles C4'-P-C4' energy: -50.978
flat angles P-C4'-P energy: -40.952
tors. eta vs tors. theta energy: -78.700
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: 9
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -838.393162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.393162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.393162 (E_RNA)
where:
Base-Base interactions energy: -549.684
where: short stacking energy: -241.739
Base-Backbone interact. energy: -2.292
local terms energy: -286.417404
where:
bonds (distance) C4'-P energy: -56.000
bonds (distance) P-C4' energy: -56.767
flat angles C4'-P-C4' energy: -69.399
flat angles P-C4'-P energy: -54.737
tors. eta vs tors. theta energy: -49.515
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: 3
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -803.314457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.314457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.314457 (E_RNA)
where:
Base-Base interactions energy: -524.894
where: short stacking energy: -224.693
Base-Backbone interact. energy: 0.790
local terms energy: -279.210438
where:
bonds (distance) C4'-P energy: -49.383
bonds (distance) P-C4' energy: -61.670
flat angles C4'-P-C4' energy: -66.808
flat angles P-C4'-P energy: -43.297
tors. eta vs tors. theta energy: -58.053
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: 6
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -710.187284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.187284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.187284 (E_RNA)
where:
Base-Base interactions energy: -455.978
where: short stacking energy: -201.345
Base-Backbone interact. energy: 1.456
local terms energy: -255.665299
where:
bonds (distance) C4'-P energy: -50.281
bonds (distance) P-C4' energy: -65.013
flat angles C4'-P-C4' energy: -54.366
flat angles P-C4'-P energy: -40.979
tors. eta vs tors. theta energy: -45.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -404.183082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.183082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.183082 (E_RNA)
where:
Base-Base interactions energy: -221.761
where: short stacking energy: -107.675
Base-Backbone interact. energy: -1.193
local terms energy: -181.228694
where:
bonds (distance) C4'-P energy: -50.007
bonds (distance) P-C4' energy: -49.387
flat angles C4'-P-C4' energy: -39.009
flat angles P-C4'-P energy: -34.916
tors. eta vs tors. theta energy: -7.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -333.472638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.472638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.472638 (E_RNA)
where:
Base-Base interactions energy: -165.841
where: short stacking energy: -94.136
Base-Backbone interact. energy: -0.662
local terms energy: -166.969039
where:
bonds (distance) C4'-P energy: -50.631
bonds (distance) P-C4' energy: -50.466
flat angles C4'-P-C4' energy: -46.564
flat angles P-C4'-P energy: -25.043
tors. eta vs tors. theta energy: 5.735
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: 1
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -1198.452887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.452887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.452887 (E_RNA)
where:
Base-Base interactions energy: -828.578
where: short stacking energy: -368.991
Base-Backbone interact. energy: -0.774
local terms energy: -369.101501
where:
bonds (distance) C4'-P energy: -58.478
bonds (distance) P-C4' energy: -70.526
flat angles C4'-P-C4' energy: -75.486
flat angles P-C4'-P energy: -54.024
tors. eta vs tors. theta energy: -110.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -1131.510899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.510899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.510899 (E_RNA)
where:
Base-Base interactions energy: -808.601
where: short stacking energy: -340.849
Base-Backbone interact. energy: 6.867
local terms energy: -329.776383
where:
bonds (distance) C4'-P energy: -65.328
bonds (distance) P-C4' energy: -62.442
flat angles C4'-P-C4' energy: -73.018
flat angles P-C4'-P energy: -45.074
tors. eta vs tors. theta energy: -83.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -1039.386824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.386824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.386824 (E_RNA)
where:
Base-Base interactions energy: -712.584
where: short stacking energy: -285.187
Base-Backbone interact. energy: -0.172
local terms energy: -326.631222
where:
bonds (distance) C4'-P energy: -61.223
bonds (distance) P-C4' energy: -71.491
flat angles C4'-P-C4' energy: -69.746
flat angles P-C4'-P energy: -49.148
tors. eta vs tors. theta energy: -75.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -1023.742756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.742756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.742756 (E_RNA)
where:
Base-Base interactions energy: -688.695
where: short stacking energy: -299.394
Base-Backbone interact. energy: -1.246
local terms energy: -333.802340
where:
bonds (distance) C4'-P energy: -66.465
bonds (distance) P-C4' energy: -67.355
flat angles C4'-P-C4' energy: -58.113
flat angles P-C4'-P energy: -49.695
tors. eta vs tors. theta energy: -92.174
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: 2
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -952.662218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.662218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.662218 (E_RNA)
where:
Base-Base interactions energy: -661.130
where: short stacking energy: -278.132
Base-Backbone interact. energy: 0.506
local terms energy: -292.038189
where:
bonds (distance) C4'-P energy: -58.808
bonds (distance) P-C4' energy: -58.154
flat angles C4'-P-C4' energy: -64.720
flat angles P-C4'-P energy: -37.275
tors. eta vs tors. theta energy: -73.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -862.365854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.365854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.365854 (E_RNA)
where:
Base-Base interactions energy: -587.554
where: short stacking energy: -248.182
Base-Backbone interact. energy: 1.042
local terms energy: -275.853685
where:
bonds (distance) C4'-P energy: -49.352
bonds (distance) P-C4' energy: -51.161
flat angles C4'-P-C4' energy: -56.416
flat angles P-C4'-P energy: -49.759
tors. eta vs tors. theta energy: -69.166
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: 9
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -827.859691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.859691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.859691 (E_RNA)
where:
Base-Base interactions energy: -559.196
where: short stacking energy: -234.612
Base-Backbone interact. energy: 0.765
local terms energy: -269.427976
where:
bonds (distance) C4'-P energy: -62.973
bonds (distance) P-C4' energy: -50.906
flat angles C4'-P-C4' energy: -58.136
flat angles P-C4'-P energy: -49.672
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: 8, replica: 6
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -748.530713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.530713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.530713 (E_RNA)
where:
Base-Base interactions energy: -473.452
where: short stacking energy: -222.623
Base-Backbone interact. energy: -0.345
local terms energy: -274.733592
where:
bonds (distance) C4'-P energy: -57.067
bonds (distance) P-C4' energy: -61.320
flat angles C4'-P-C4' energy: -55.420
flat angles P-C4'-P energy: -43.906
tors. eta vs tors. theta energy: -57.019
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: 5
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -415.549066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.549066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.549066 (E_RNA)
where:
Base-Base interactions energy: -219.923
where: short stacking energy: -116.684
Base-Backbone interact. energy: -0.835
local terms energy: -194.791023
where:
bonds (distance) C4'-P energy: -51.624
bonds (distance) P-C4' energy: -54.228
flat angles C4'-P-C4' energy: -49.242
flat angles P-C4'-P energy: -30.715
tors. eta vs tors. theta energy: -8.983
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: 10, replica: 7
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -315.864838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.864838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.864838 (E_RNA)
where:
Base-Base interactions energy: -118.078
where: short stacking energy: -116.038
Base-Backbone interact. energy: 0.951
local terms energy: -198.738485
where:
bonds (distance) C4'-P energy: -43.275
bonds (distance) P-C4' energy: -47.115
flat angles C4'-P-C4' energy: -61.554
flat angles P-C4'-P energy: -37.079
tors. eta vs tors. theta energy: -9.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -1202.375031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.375031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.375031 (E_RNA)
where:
Base-Base interactions energy: -828.717
where: short stacking energy: -354.713
Base-Backbone interact. energy: -0.353
local terms energy: -373.305686
where:
bonds (distance) C4'-P energy: -64.260
bonds (distance) P-C4' energy: -70.822
flat angles C4'-P-C4' energy: -74.043
flat angles P-C4'-P energy: -58.233
tors. eta vs tors. theta energy: -105.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -1127.148618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.148618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.148618 (E_RNA)
where:
Base-Base interactions energy: -796.635
where: short stacking energy: -332.333
Base-Backbone interact. energy: 4.657
local terms energy: -335.170094
where:
bonds (distance) C4'-P energy: -61.164
bonds (distance) P-C4' energy: -70.114
flat angles C4'-P-C4' energy: -68.508
flat angles P-C4'-P energy: -42.317
tors. eta vs tors. theta energy: -93.067
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: 10
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -1039.107706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.107706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.107706 (E_RNA)
where:
Base-Base interactions energy: -712.019
where: short stacking energy: -286.760
Base-Backbone interact. energy: -2.039
local terms energy: -325.049174
where:
bonds (distance) C4'-P energy: -61.001
bonds (distance) P-C4' energy: -58.402
flat angles C4'-P-C4' energy: -71.356
flat angles P-C4'-P energy: -61.136
tors. eta vs tors. theta energy: -73.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -1012.139027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.139027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.139027 (E_RNA)
where:
Base-Base interactions energy: -680.854
where: short stacking energy: -299.638
Base-Backbone interact. energy: -0.288
local terms energy: -330.997066
where:
bonds (distance) C4'-P energy: -63.981
bonds (distance) P-C4' energy: -61.640
flat angles C4'-P-C4' energy: -69.230
flat angles P-C4'-P energy: -44.250
tors. eta vs tors. theta energy: -91.897
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: 2
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -958.012891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.012891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.012891 (E_RNA)
where:
Base-Base interactions energy: -654.899
where: short stacking energy: -300.541
Base-Backbone interact. energy: 0.125
local terms energy: -303.239356
where:
bonds (distance) C4'-P energy: -51.772
bonds (distance) P-C4' energy: -58.077
flat angles C4'-P-C4' energy: -68.981
flat angles P-C4'-P energy: -45.221
tors. eta vs tors. theta energy: -79.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -815.406389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.406389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.406389 (E_RNA)
where:
Base-Base interactions energy: -545.477
where: short stacking energy: -240.487
Base-Backbone interact. energy: 0.727
local terms energy: -270.656206
where:
bonds (distance) C4'-P energy: -60.850
bonds (distance) P-C4' energy: -48.440
flat angles C4'-P-C4' energy: -66.093
flat angles P-C4'-P energy: -34.296
tors. eta vs tors. theta energy: -60.978
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: 7, replica: 9
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -793.532179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.532179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.532179 (E_RNA)
where:
Base-Base interactions energy: -522.746
where: short stacking energy: -233.765
Base-Backbone interact. energy: -1.804
local terms energy: -268.981780
where:
bonds (distance) C4'-P energy: -42.199
bonds (distance) P-C4' energy: -71.348
flat angles C4'-P-C4' energy: -53.531
flat angles P-C4'-P energy: -42.532
tors. eta vs tors. theta energy: -59.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -731.392984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.392984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.392984 (E_RNA)
where:
Base-Base interactions energy: -466.225
where: short stacking energy: -214.158
Base-Backbone interact. energy: 0.546
local terms energy: -265.713641
where:
bonds (distance) C4'-P energy: -56.685
bonds (distance) P-C4' energy: -53.360
flat angles C4'-P-C4' energy: -52.170
flat angles P-C4'-P energy: -51.132
tors. eta vs tors. theta energy: -52.366
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: 5
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -443.614016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.614016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.614016 (E_RNA)
where:
Base-Base interactions energy: -243.599
where: short stacking energy: -129.097
Base-Backbone interact. energy: 0.113
local terms energy: -200.128666
where:
bonds (distance) C4'-P energy: -48.919
bonds (distance) P-C4' energy: -55.716
flat angles C4'-P-C4' energy: -43.287
flat angles P-C4'-P energy: -39.175
tors. eta vs tors. theta energy: -13.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -298.001903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.001903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.001903 (E_RNA)
where:
Base-Base interactions energy: -114.653
where: short stacking energy: -99.483
Base-Backbone interact. energy: 3.019
local terms energy: -186.368311
where:
bonds (distance) C4'-P energy: -54.163
bonds (distance) P-C4' energy: -57.703
flat angles C4'-P-C4' energy: -43.953
flat angles P-C4'-P energy: -30.861
tors. eta vs tors. theta energy: 0.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -1186.955283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.955283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.955283 (E_RNA)
where:
Base-Base interactions energy: -810.376
where: short stacking energy: -349.951
Base-Backbone interact. energy: -1.470
local terms energy: -375.109386
where:
bonds (distance) C4'-P energy: -68.842
bonds (distance) P-C4' energy: -69.160
flat angles C4'-P-C4' energy: -73.630
flat angles P-C4'-P energy: -55.730
tors. eta vs tors. theta energy: -107.747
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: 8
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -1110.824169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.824169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.824169 (E_RNA)
where:
Base-Base interactions energy: -783.263
where: short stacking energy: -330.492
Base-Backbone interact. energy: -0.830
local terms energy: -326.731459
where:
bonds (distance) C4'-P energy: -57.611
bonds (distance) P-C4' energy: -62.633
flat angles C4'-P-C4' energy: -70.830
flat angles P-C4'-P energy: -42.958
tors. eta vs tors. theta energy: -92.699
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: 10
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -1066.712388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.712388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.712388 (E_RNA)
where:
Base-Base interactions energy: -736.850
where: short stacking energy: -319.860
Base-Backbone interact. energy: -1.928
local terms energy: -327.934409
where:
bonds (distance) C4'-P energy: -64.455
bonds (distance) P-C4' energy: -63.732
flat angles C4'-P-C4' energy: -66.033
flat angles P-C4'-P energy: -53.751
tors. eta vs tors. theta energy: -79.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -1013.727369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.727369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.727369 (E_RNA)
where:
Base-Base interactions energy: -682.945
where: short stacking energy: -298.635
Base-Backbone interact. energy: -1.292
local terms energy: -329.490297
where:
bonds (distance) C4'-P energy: -67.803
bonds (distance) P-C4' energy: -67.841
flat angles C4'-P-C4' energy: -62.968
flat angles P-C4'-P energy: -40.989
tors. eta vs tors. theta energy: -89.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -942.272649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.272649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.272649 (E_RNA)
where:
Base-Base interactions energy: -634.175
where: short stacking energy: -301.993
Base-Backbone interact. energy: -1.151
local terms energy: -306.946048
where:
bonds (distance) C4'-P energy: -53.423
bonds (distance) P-C4' energy: -58.646
flat angles C4'-P-C4' energy: -65.452
flat angles P-C4'-P energy: -43.055
tors. eta vs tors. theta energy: -86.371
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: 6, replica: 3
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -836.035076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.035076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.035076 (E_RNA)
where:
Base-Base interactions energy: -567.039
where: short stacking energy: -248.137
Base-Backbone interact. energy: -1.177
local terms energy: -267.819136
where:
bonds (distance) C4'-P energy: -52.229
bonds (distance) P-C4' energy: -57.438
flat angles C4'-P-C4' energy: -59.557
flat angles P-C4'-P energy: -32.895
tors. eta vs tors. theta energy: -65.701
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: 9
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -800.098624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.098624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.098624 (E_RNA)
where:
Base-Base interactions energy: -505.912
where: short stacking energy: -223.186
Base-Backbone interact. energy: -0.881
local terms energy: -293.306039
where:
bonds (distance) C4'-P energy: -66.804
bonds (distance) P-C4' energy: -69.447
flat angles C4'-P-C4' energy: -66.901
flat angles P-C4'-P energy: -32.338
tors. eta vs tors. theta energy: -57.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -715.713545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.713545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.713545 (E_RNA)
where:
Base-Base interactions energy: -467.429
where: short stacking energy: -228.009
Base-Backbone interact. energy: 5.592
local terms energy: -253.877394
where:
bonds (distance) C4'-P energy: -50.389
bonds (distance) P-C4' energy: -53.738
flat angles C4'-P-C4' energy: -54.398
flat angles P-C4'-P energy: -40.284
tors. eta vs tors. theta energy: -55.069
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: 5
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -474.037829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.037829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.037829 (E_RNA)
where:
Base-Base interactions energy: -270.269
where: short stacking energy: -130.525
Base-Backbone interact. energy: -1.566
local terms energy: -202.202248
where:
bonds (distance) C4'-P energy: -48.878
bonds (distance) P-C4' energy: -49.641
flat angles C4'-P-C4' energy: -61.700
flat angles P-C4'-P energy: -23.430
tors. eta vs tors. theta energy: -18.553
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: 10, replica: 7
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -313.868045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.868045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.868045 (E_RNA)
where:
Base-Base interactions energy: -147.537
where: short stacking energy: -111.236
Base-Backbone interact. energy: -0.833
local terms energy: -165.498175
where:
bonds (distance) C4'-P energy: -46.426
bonds (distance) P-C4' energy: -45.679
flat angles C4'-P-C4' energy: -48.826
flat angles P-C4'-P energy: -25.088
tors. eta vs tors. theta energy: 0.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -1190.985268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.985268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.985268 (E_RNA)
where:
Base-Base interactions energy: -836.077
where: short stacking energy: -364.567
Base-Backbone interact. energy: -0.623
local terms energy: -354.285137
where:
bonds (distance) C4'-P energy: -63.511
bonds (distance) P-C4' energy: -64.401
flat angles C4'-P-C4' energy: -70.429
flat angles P-C4'-P energy: -48.880
tors. eta vs tors. theta energy: -107.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -1101.650287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.650287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.650287 (E_RNA)
where:
Base-Base interactions energy: -777.814
where: short stacking energy: -320.253
Base-Backbone interact. energy: 1.131
local terms energy: -324.967495
where:
bonds (distance) C4'-P energy: -62.200
bonds (distance) P-C4' energy: -66.102
flat angles C4'-P-C4' energy: -73.574
flat angles P-C4'-P energy: -40.344
tors. eta vs tors. theta energy: -82.747
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: 10
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -1048.507587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.507587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.507587 (E_RNA)
where:
Base-Base interactions energy: -714.890
where: short stacking energy: -295.629
Base-Backbone interact. energy: -3.021
local terms energy: -330.596503
where:
bonds (distance) C4'-P energy: -65.352
bonds (distance) P-C4' energy: -60.359
flat angles C4'-P-C4' energy: -75.321
flat angles P-C4'-P energy: -46.498
tors. eta vs tors. theta energy: -83.066
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: 4
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -1009.943339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.943339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.943339 (E_RNA)
where:
Base-Base interactions energy: -674.543
where: short stacking energy: -311.496
Base-Backbone interact. energy: -2.796
local terms energy: -332.604479
where:
bonds (distance) C4'-P energy: -55.370
bonds (distance) P-C4' energy: -61.327
flat angles C4'-P-C4' energy: -75.231
flat angles P-C4'-P energy: -47.716
tors. eta vs tors. theta energy: -92.961
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: 2
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -980.737801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.737801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.737801 (E_RNA)
where:
Base-Base interactions energy: -674.340
where: short stacking energy: -292.699
Base-Backbone interact. energy: 1.568
local terms energy: -307.965674
where:
bonds (distance) C4'-P energy: -57.053
bonds (distance) P-C4' energy: -66.434
flat angles C4'-P-C4' energy: -58.259
flat angles P-C4'-P energy: -49.606
tors. eta vs tors. theta energy: -76.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -852.020686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.020686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.020686 (E_RNA)
where:
Base-Base interactions energy: -572.668
where: short stacking energy: -247.734
Base-Backbone interact. energy: 1.029
local terms energy: -280.381847
where:
bonds (distance) C4'-P energy: -59.576
bonds (distance) P-C4' energy: -67.120
flat angles C4'-P-C4' energy: -68.089
flat angles P-C4'-P energy: -32.416
tors. eta vs tors. theta energy: -53.182
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: 7, replica: 6
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -761.170144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.170144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.170144 (E_RNA)
where:
Base-Base interactions energy: -507.512
where: short stacking energy: -235.946
Base-Backbone interact. energy: -0.938
local terms energy: -252.720026
where:
bonds (distance) C4'-P energy: -52.625
bonds (distance) P-C4' energy: -66.522
flat angles C4'-P-C4' energy: -47.962
flat angles P-C4'-P energy: -33.889
tors. eta vs tors. theta energy: -51.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -787.282448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.282448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.282448 (E_RNA)
where:
Base-Base interactions energy: -523.601
where: short stacking energy: -231.707
Base-Backbone interact. energy: 1.205
local terms energy: -264.886513
where:
bonds (distance) C4'-P energy: -54.234
bonds (distance) P-C4' energy: -62.517
flat angles C4'-P-C4' energy: -67.082
flat angles P-C4'-P energy: -40.024
tors. eta vs tors. theta energy: -41.029
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: 5
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -446.713963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.713963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.713963 (E_RNA)
where:
Base-Base interactions energy: -253.453
where: short stacking energy: -148.824
Base-Backbone interact. energy: 0.949
local terms energy: -194.209331
where:
bonds (distance) C4'-P energy: -44.813
bonds (distance) P-C4' energy: -61.961
flat angles C4'-P-C4' energy: -54.267
flat angles P-C4'-P energy: -24.711
tors. eta vs tors. theta energy: -8.457
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: 10, replica: 7
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -279.176976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.176976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.176976 (E_RNA)
where:
Base-Base interactions energy: -113.124
where: short stacking energy: -99.227
Base-Backbone interact. energy: 0.866
local terms energy: -166.919654
where:
bonds (distance) C4'-P energy: -52.888
bonds (distance) P-C4' energy: -53.027
flat angles C4'-P-C4' energy: -44.948
flat angles P-C4'-P energy: -15.238
tors. eta vs tors. theta energy: -0.818
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: 1
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -1192.604148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.604148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.604148 (E_RNA)
where:
Base-Base interactions energy: -825.791
where: short stacking energy: -351.094
Base-Backbone interact. energy: 2.647
local terms energy: -369.460208
where:
bonds (distance) C4'-P energy: -71.993
bonds (distance) P-C4' energy: -64.996
flat angles C4'-P-C4' energy: -73.853
flat angles P-C4'-P energy: -49.072
tors. eta vs tors. theta energy: -109.545
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: 2, replica: 10
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -1096.938469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.938469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.938469 (E_RNA)
where:
Base-Base interactions energy: -768.328
where: short stacking energy: -323.371
Base-Backbone interact. energy: -3.062
local terms energy: -325.548395
where:
bonds (distance) C4'-P energy: -70.155
bonds (distance) P-C4' energy: -64.696
flat angles C4'-P-C4' energy: -67.324
flat angles P-C4'-P energy: -43.345
tors. eta vs tors. theta energy: -80.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -1089.601833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.601833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.601833 (E_RNA)
where:
Base-Base interactions energy: -785.775
where: short stacking energy: -326.439
Base-Backbone interact. energy: 4.107
local terms energy: -307.933575
where:
bonds (distance) C4'-P energy: -46.396
bonds (distance) P-C4' energy: -61.233
flat angles C4'-P-C4' energy: -74.965
flat angles P-C4'-P energy: -42.753
tors. eta vs tors. theta energy: -82.586
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: 4
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -1016.856855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.856855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.856855 (E_RNA)
where:
Base-Base interactions energy: -698.756
where: short stacking energy: -314.808
Base-Backbone interact. energy: 1.257
local terms energy: -319.357687
where:
bonds (distance) C4'-P energy: -57.607
bonds (distance) P-C4' energy: -55.614
flat angles C4'-P-C4' energy: -69.983
flat angles P-C4'-P energy: -47.995
tors. eta vs tors. theta energy: -88.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -973.190103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.190103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.190103 (E_RNA)
where:
Base-Base interactions energy: -641.141
where: short stacking energy: -293.066
Base-Backbone interact. energy: -1.754
local terms energy: -330.294410
where:
bonds (distance) C4'-P energy: -65.236
bonds (distance) P-C4' energy: -58.418
flat angles C4'-P-C4' energy: -67.348
flat angles P-C4'-P energy: -53.779
tors. eta vs tors. theta energy: -85.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -874.173544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.173544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.173544 (E_RNA)
where:
Base-Base interactions energy: -574.196
where: short stacking energy: -256.074
Base-Backbone interact. energy: -1.017
local terms energy: -298.960437
where:
bonds (distance) C4'-P energy: -59.696
bonds (distance) P-C4' energy: -56.600
flat angles C4'-P-C4' energy: -66.488
flat angles P-C4'-P energy: -44.845
tors. eta vs tors. theta energy: -71.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -740.605367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.605367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.605367 (E_RNA)
where:
Base-Base interactions energy: -484.922
where: short stacking energy: -213.822
Base-Backbone interact. energy: -0.398
local terms energy: -255.285462
where:
bonds (distance) C4'-P energy: -41.290
bonds (distance) P-C4' energy: -65.334
flat angles C4'-P-C4' energy: -55.764
flat angles P-C4'-P energy: -32.087
tors. eta vs tors. theta energy: -60.810
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: 9
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -746.606726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.606726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.606726 (E_RNA)
where:
Base-Base interactions energy: -484.456
where: short stacking energy: -216.405
Base-Backbone interact. energy: -0.922
local terms energy: -261.229317
where:
bonds (distance) C4'-P energy: -46.574
bonds (distance) P-C4' energy: -58.107
flat angles C4'-P-C4' energy: -66.404
flat angles P-C4'-P energy: -37.157
tors. eta vs tors. theta energy: -52.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -465.547604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.547604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.547604 (E_RNA)
where:
Base-Base interactions energy: -244.394
where: short stacking energy: -138.556
Base-Backbone interact. energy: 0.712
local terms energy: -221.865009
where:
bonds (distance) C4'-P energy: -50.243
bonds (distance) P-C4' energy: -64.145
flat angles C4'-P-C4' energy: -56.286
flat angles P-C4'-P energy: -35.263
tors. eta vs tors. theta energy: -15.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -280.624798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.624798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.624798 (E_RNA)
where:
Base-Base interactions energy: -104.580
where: short stacking energy: -95.996
Base-Backbone interact. energy: 5.071
local terms energy: -181.116632
where:
bonds (distance) C4'-P energy: -55.021
bonds (distance) P-C4' energy: -58.798
flat angles C4'-P-C4' energy: -50.127
flat angles P-C4'-P energy: -27.491
tors. eta vs tors. theta energy: 10.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -1203.673806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.673806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.673806 (E_RNA)
where:
Base-Base interactions energy: -840.391
where: short stacking energy: -359.347
Base-Backbone interact. energy: 0.174
local terms energy: -363.456429
where:
bonds (distance) C4'-P energy: -58.935
bonds (distance) P-C4' energy: -70.034
flat angles C4'-P-C4' energy: -79.385
flat angles P-C4'-P energy: -47.132
tors. eta vs tors. theta energy: -107.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -1104.746835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.746835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.746835 (E_RNA)
where:
Base-Base interactions energy: -778.549
where: short stacking energy: -319.326
Base-Backbone interact. energy: 2.909
local terms energy: -329.107164
where:
bonds (distance) C4'-P energy: -63.303
bonds (distance) P-C4' energy: -59.123
flat angles C4'-P-C4' energy: -67.898
flat angles P-C4'-P energy: -56.041
tors. eta vs tors. theta energy: -82.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -1079.311960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.311960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.311960 (E_RNA)
where:
Base-Base interactions energy: -751.869
where: short stacking energy: -312.474
Base-Backbone interact. energy: -0.420
local terms energy: -327.022630
where:
bonds (distance) C4'-P energy: -50.173
bonds (distance) P-C4' energy: -62.797
flat angles C4'-P-C4' energy: -79.593
flat angles P-C4'-P energy: -46.428
tors. eta vs tors. theta energy: -88.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -1003.181434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.181434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.181434 (E_RNA)
where:
Base-Base interactions energy: -686.164
where: short stacking energy: -281.387
Base-Backbone interact. energy: 0.651
local terms energy: -317.668126
where:
bonds (distance) C4'-P energy: -66.929
bonds (distance) P-C4' energy: -60.830
flat angles C4'-P-C4' energy: -64.017
flat angles P-C4'-P energy: -35.444
tors. eta vs tors. theta energy: -90.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -882.251863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.251863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.251863 (E_RNA)
where:
Base-Base interactions energy: -599.798
where: short stacking energy: -256.484
Base-Backbone interact. energy: -1.818
local terms energy: -280.636157
where:
bonds (distance) C4'-P energy: -53.617
bonds (distance) P-C4' energy: -63.176
flat angles C4'-P-C4' energy: -64.276
flat angles P-C4'-P energy: -37.016
tors. eta vs tors. theta energy: -62.550
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: 2
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -915.639879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.639879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.639879 (E_RNA)
where:
Base-Base interactions energy: -612.311
where: short stacking energy: -297.537
Base-Backbone interact. energy: 0.239
local terms energy: -303.567711
where:
bonds (distance) C4'-P energy: -56.864
bonds (distance) P-C4' energy: -57.208
flat angles C4'-P-C4' energy: -64.972
flat angles P-C4'-P energy: -44.199
tors. eta vs tors. theta energy: -80.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -756.746649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.746649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.746649 (E_RNA)
where:
Base-Base interactions energy: -483.132
where: short stacking energy: -217.277
Base-Backbone interact. energy: -1.416
local terms energy: -272.198084
where:
bonds (distance) C4'-P energy: -59.918
bonds (distance) P-C4' energy: -52.205
flat angles C4'-P-C4' energy: -65.334
flat angles P-C4'-P energy: -42.392
tors. eta vs tors. theta energy: -52.349
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: 6
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -727.896904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.896904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.896904 (E_RNA)
where:
Base-Base interactions energy: -494.301
where: short stacking energy: -215.197
Base-Backbone interact. energy: -0.544
local terms energy: -233.051549
where:
bonds (distance) C4'-P energy: -56.391
bonds (distance) P-C4' energy: -40.409
flat angles C4'-P-C4' energy: -61.773
flat angles P-C4'-P energy: -28.783
tors. eta vs tors. theta energy: -45.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -307.601297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.601297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.601297 (E_RNA)
where:
Base-Base interactions energy: -110.013
where: short stacking energy: -85.504
Base-Backbone interact. energy: -0.509
local terms energy: -197.078729
where:
bonds (distance) C4'-P energy: -55.285
bonds (distance) P-C4' energy: -63.946
flat angles C4'-P-C4' energy: -59.224
flat angles P-C4'-P energy: -25.029
tors. eta vs tors. theta energy: 6.405
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: 5
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -429.304581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.304581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.304581 (E_RNA)
where:
Base-Base interactions energy: -216.091
where: short stacking energy: -128.237
Base-Backbone interact. energy: -0.699
local terms energy: -212.514751
where:
bonds (distance) C4'-P energy: -51.804
bonds (distance) P-C4' energy: -64.025
flat angles C4'-P-C4' energy: -44.731
flat angles P-C4'-P energy: -34.299
tors. eta vs tors. theta energy: -17.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -1193.809537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.809537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.809537 (E_RNA)
where:
Base-Base interactions energy: -829.193
where: short stacking energy: -366.775
Base-Backbone interact. energy: -0.390
local terms energy: -364.226813
where:
bonds (distance) C4'-P energy: -55.963
bonds (distance) P-C4' energy: -65.929
flat angles C4'-P-C4' energy: -78.130
flat angles P-C4'-P energy: -54.625
tors. eta vs tors. theta energy: -109.580
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: 8
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -1122.720380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.720380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.720380 (E_RNA)
where:
Base-Base interactions energy: -806.030
where: short stacking energy: -344.636
Base-Backbone interact. energy: 6.552
local terms energy: -323.241588
where:
bonds (distance) C4'-P energy: -63.410
bonds (distance) P-C4' energy: -59.986
flat angles C4'-P-C4' energy: -75.583
flat angles P-C4'-P energy: -36.851
tors. eta vs tors. theta energy: -87.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -1077.112109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.112109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.112109 (E_RNA)
where:
Base-Base interactions energy: -734.949
where: short stacking energy: -320.889
Base-Backbone interact. energy: -1.506
local terms energy: -340.657559
where:
bonds (distance) C4'-P energy: -63.143
bonds (distance) P-C4' energy: -61.761
flat angles C4'-P-C4' energy: -79.014
flat angles P-C4'-P energy: -44.532
tors. eta vs tors. theta energy: -92.207
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: 4, replica: 4
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -1011.454066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.454066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.454066 (E_RNA)
where:
Base-Base interactions energy: -685.312
where: short stacking energy: -317.212
Base-Backbone interact. energy: -0.534
local terms energy: -325.607495
where:
bonds (distance) C4'-P energy: -48.472
bonds (distance) P-C4' energy: -68.019
flat angles C4'-P-C4' energy: -68.086
flat angles P-C4'-P energy: -51.145
tors. eta vs tors. theta energy: -89.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -882.545406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.545406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.545406 (E_RNA)
where:
Base-Base interactions energy: -609.519
where: short stacking energy: -261.564
Base-Backbone interact. energy: -0.888
local terms energy: -272.137724
where:
bonds (distance) C4'-P energy: -51.787
bonds (distance) P-C4' energy: -59.710
flat angles C4'-P-C4' energy: -55.708
flat angles P-C4'-P energy: -47.278
tors. eta vs tors. theta energy: -57.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -931.926808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.926808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.926808 (E_RNA)
where:
Base-Base interactions energy: -620.901
where: short stacking energy: -307.796
Base-Backbone interact. energy: -1.499
local terms energy: -309.526083
where:
bonds (distance) C4'-P energy: -62.436
bonds (distance) P-C4' energy: -57.155
flat angles C4'-P-C4' energy: -62.764
flat angles P-C4'-P energy: -37.615
tors. eta vs tors. theta energy: -89.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -823.181153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.181153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.181153 (E_RNA)
where:
Base-Base interactions energy: -567.398
where: short stacking energy: -227.492
Base-Backbone interact. energy: 0.017
local terms energy: -255.800407
where:
bonds (distance) C4'-P energy: -58.400
bonds (distance) P-C4' energy: -61.624
flat angles C4'-P-C4' energy: -48.781
flat angles P-C4'-P energy: -35.173
tors. eta vs tors. theta energy: -51.823
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: 6
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -743.062714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.062714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.062714 (E_RNA)
where:
Base-Base interactions energy: -485.654
where: short stacking energy: -221.549
Base-Backbone interact. energy: -0.713
local terms energy: -256.695747
where:
bonds (distance) C4'-P energy: -53.765
bonds (distance) P-C4' energy: -57.658
flat angles C4'-P-C4' energy: -58.977
flat angles P-C4'-P energy: -36.316
tors. eta vs tors. theta energy: -49.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -319.171548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.171548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.171548 (E_RNA)
where:
Base-Base interactions energy: -106.749
where: short stacking energy: -101.197
Base-Backbone interact. energy: -0.391
local terms energy: -212.031850
where:
bonds (distance) C4'-P energy: -61.841
bonds (distance) P-C4' energy: -59.375
flat angles C4'-P-C4' energy: -48.635
flat angles P-C4'-P energy: -40.186
tors. eta vs tors. theta energy: -1.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -422.392127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.392127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.392127 (E_RNA)
where:
Base-Base interactions energy: -223.583
where: short stacking energy: -122.270
Base-Backbone interact. energy: -1.494
local terms energy: -197.315269
where:
bonds (distance) C4'-P energy: -52.449
bonds (distance) P-C4' energy: -70.722
flat angles C4'-P-C4' energy: -33.524
flat angles P-C4'-P energy: -29.954
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: 1
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -1193.242932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.242932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.242932 (E_RNA)
where:
Base-Base interactions energy: -823.528
where: short stacking energy: -367.102
Base-Backbone interact. energy: 0.215
local terms energy: -369.929311
where:
bonds (distance) C4'-P energy: -58.807
bonds (distance) P-C4' energy: -66.958
flat angles C4'-P-C4' energy: -78.171
flat angles P-C4'-P energy: -57.404
tors. eta vs tors. theta energy: -108.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -1125.493755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.493755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.493755 (E_RNA)
where:
Base-Base interactions energy: -802.820
where: short stacking energy: -328.957
Base-Backbone interact. energy: 4.752
local terms energy: -327.425982
where:
bonds (distance) C4'-P energy: -65.910
bonds (distance) P-C4' energy: -55.950
flat angles C4'-P-C4' energy: -68.245
flat angles P-C4'-P energy: -52.522
tors. eta vs tors. theta energy: -84.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -1126.991015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.991015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.991015 (E_RNA)
where:
Base-Base interactions energy: -785.229
where: short stacking energy: -344.805
Base-Backbone interact. energy: -0.867
local terms energy: -340.895122
where:
bonds (distance) C4'-P energy: -53.127
bonds (distance) P-C4' energy: -60.558
flat angles C4'-P-C4' energy: -75.251
flat angles P-C4'-P energy: -50.150
tors. eta vs tors. theta energy: -101.808
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: 4
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -1034.126020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.126020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.126020 (E_RNA)
where:
Base-Base interactions energy: -719.785
where: short stacking energy: -311.996
Base-Backbone interact. energy: -2.009
local terms energy: -312.332803
where:
bonds (distance) C4'-P energy: -59.672
bonds (distance) P-C4' energy: -62.090
flat angles C4'-P-C4' energy: -71.149
flat angles P-C4'-P energy: -34.730
tors. eta vs tors. theta energy: -84.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -953.218589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.218589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.218589 (E_RNA)
where:
Base-Base interactions energy: -652.831
where: short stacking energy: -306.093
Base-Backbone interact. energy: -1.127
local terms energy: -299.261163
where:
bonds (distance) C4'-P energy: -57.113
bonds (distance) P-C4' energy: -50.839
flat angles C4'-P-C4' energy: -66.247
flat angles P-C4'-P energy: -33.780
tors. eta vs tors. theta energy: -91.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -867.475041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.475041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.475041 (E_RNA)
where:
Base-Base interactions energy: -570.953
where: short stacking energy: -258.651
Base-Backbone interact. energy: -1.649
local terms energy: -294.872573
where:
bonds (distance) C4'-P energy: -52.572
bonds (distance) P-C4' energy: -61.317
flat angles C4'-P-C4' energy: -63.729
flat angles P-C4'-P energy: -40.525
tors. eta vs tors. theta energy: -76.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -780.281830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.281830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.281830 (E_RNA)
where:
Base-Base interactions energy: -556.757
where: short stacking energy: -227.550
Base-Backbone interact. energy: 0.362
local terms energy: -223.886685
where:
bonds (distance) C4'-P energy: -47.876
bonds (distance) P-C4' energy: -45.885
flat angles C4'-P-C4' energy: -40.641
flat angles P-C4'-P energy: -42.916
tors. eta vs tors. theta energy: -46.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -753.605535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.605535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.605535 (E_RNA)
where:
Base-Base interactions energy: -474.360
where: short stacking energy: -202.749
Base-Backbone interact. energy: 3.489
local terms energy: -282.734125
where:
bonds (distance) C4'-P energy: -61.480
bonds (distance) P-C4' energy: -62.853
flat angles C4'-P-C4' energy: -67.106
flat angles P-C4'-P energy: -38.558
tors. eta vs tors. theta energy: -52.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -472.438146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.438146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.438146 (E_RNA)
where:
Base-Base interactions energy: -248.802
where: short stacking energy: -142.394
Base-Backbone interact. energy: 0.031
local terms energy: -223.667020
where:
bonds (distance) C4'-P energy: -55.579
bonds (distance) P-C4' energy: -57.137
flat angles C4'-P-C4' energy: -49.666
flat angles P-C4'-P energy: -41.851
tors. eta vs tors. theta energy: -19.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -314.326890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.326890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.326890 (E_RNA)
where:
Base-Base interactions energy: -129.124
where: short stacking energy: -94.596
Base-Backbone interact. energy: -0.562
local terms energy: -184.641032
where:
bonds (distance) C4'-P energy: -54.959
bonds (distance) P-C4' energy: -55.838
flat angles C4'-P-C4' energy: -42.831
flat angles P-C4'-P energy: -32.125
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: 1
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -1201.645172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.645172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.645172 (E_RNA)
where:
Base-Base interactions energy: -845.080
where: short stacking energy: -376.156
Base-Backbone interact. energy: -1.380
local terms energy: -355.184930
where:
bonds (distance) C4'-P energy: -57.239
bonds (distance) P-C4' energy: -62.520
flat angles C4'-P-C4' energy: -78.986
flat angles P-C4'-P energy: -50.769
tors. eta vs tors. theta energy: -105.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -1103.271810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.271810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.271810 (E_RNA)
where:
Base-Base interactions energy: -751.955
where: short stacking energy: -334.597
Base-Backbone interact. energy: -1.231
local terms energy: -350.085280
where:
bonds (distance) C4'-P energy: -60.013
bonds (distance) P-C4' energy: -60.153
flat angles C4'-P-C4' energy: -74.719
flat angles P-C4'-P energy: -48.785
tors. eta vs tors. theta energy: -106.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -1122.405761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.405761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.405761 (E_RNA)
where:
Base-Base interactions energy: -792.197
where: short stacking energy: -295.835
Base-Backbone interact. energy: 10.097
local terms energy: -340.305710
where:
bonds (distance) C4'-P energy: -61.428
bonds (distance) P-C4' energy: -73.677
flat angles C4'-P-C4' energy: -73.244
flat angles P-C4'-P energy: -54.548
tors. eta vs tors. theta energy: -77.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -1045.933877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.933877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.933877 (E_RNA)
where:
Base-Base interactions energy: -710.343
where: short stacking energy: -321.378
Base-Backbone interact. energy: -0.836
local terms energy: -334.755544
where:
bonds (distance) C4'-P energy: -48.451
bonds (distance) P-C4' energy: -68.291
flat angles C4'-P-C4' energy: -71.122
flat angles P-C4'-P energy: -49.992
tors. eta vs tors. theta energy: -96.899
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: 2
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -910.188799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.188799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.188799 (E_RNA)
where:
Base-Base interactions energy: -595.748
where: short stacking energy: -280.209
Base-Backbone interact. energy: -0.188
local terms energy: -314.252684
where:
bonds (distance) C4'-P energy: -63.409
bonds (distance) P-C4' energy: -60.548
flat angles C4'-P-C4' energy: -61.858
flat angles P-C4'-P energy: -38.304
tors. eta vs tors. theta energy: -90.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -889.128077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.128077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.128077 (E_RNA)
where:
Base-Base interactions energy: -592.531
where: short stacking energy: -262.906
Base-Backbone interact. energy: 0.427
local terms energy: -297.023586
where:
bonds (distance) C4'-P energy: -56.131
bonds (distance) P-C4' energy: -62.952
flat angles C4'-P-C4' energy: -71.013
flat angles P-C4'-P energy: -41.124
tors. eta vs tors. theta energy: -65.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -797.588708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.588708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.588708 (E_RNA)
where:
Base-Base interactions energy: -540.264
where: short stacking energy: -225.857
Base-Backbone interact. energy: 0.529
local terms energy: -257.853155
where:
bonds (distance) C4'-P energy: -58.090
bonds (distance) P-C4' energy: -58.683
flat angles C4'-P-C4' energy: -60.798
flat angles P-C4'-P energy: -30.764
tors. eta vs tors. theta energy: -49.519
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: 8, replica: 6
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -673.670102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.670102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.670102 (E_RNA)
where:
Base-Base interactions energy: -428.885
where: short stacking energy: -186.296
Base-Backbone interact. energy: -1.630
local terms energy: -243.155071
where:
bonds (distance) C4'-P energy: -58.245
bonds (distance) P-C4' energy: -59.883
flat angles C4'-P-C4' energy: -49.057
flat angles P-C4'-P energy: -42.333
tors. eta vs tors. theta energy: -33.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -438.995732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.995732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.995732 (E_RNA)
where:
Base-Base interactions energy: -224.230
where: short stacking energy: -132.090
Base-Backbone interact. energy: -0.510
local terms energy: -214.255726
where:
bonds (distance) C4'-P energy: -55.114
bonds (distance) P-C4' energy: -59.278
flat angles C4'-P-C4' energy: -54.155
flat angles P-C4'-P energy: -23.544
tors. eta vs tors. theta energy: -22.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -317.244338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.244338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.244338 (E_RNA)
where:
Base-Base interactions energy: -141.610
where: short stacking energy: -96.211
Base-Backbone interact. energy: -1.324
local terms energy: -174.310018
where:
bonds (distance) C4'-P energy: -51.619
bonds (distance) P-C4' energy: -65.236
flat angles C4'-P-C4' energy: -36.430
flat angles P-C4'-P energy: -25.313
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: 1, replica: 1
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -1181.067667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.067667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.067667 (E_RNA)
where:
Base-Base interactions energy: -818.209
where: short stacking energy: -356.890
Base-Backbone interact. energy: -0.071
local terms energy: -362.787731
where:
bonds (distance) C4'-P energy: -60.974
bonds (distance) P-C4' energy: -68.294
flat angles C4'-P-C4' energy: -78.504
flat angles P-C4'-P energy: -51.606
tors. eta vs tors. theta energy: -103.410
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: 314
Temperature: 0.950000
Total energy: -1106.628022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.628022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.628022 (E_RNA)
where:
Base-Base interactions energy: -751.630
where: short stacking energy: -325.307
Base-Backbone interact. energy: -1.986
local terms energy: -353.012140
where:
bonds (distance) C4'-P energy: -68.726
bonds (distance) P-C4' energy: -61.142
flat angles C4'-P-C4' energy: -78.724
flat angles P-C4'-P energy: -46.479
tors. eta vs tors. theta energy: -97.942
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: 8
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -1105.990646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.990646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.990646 (E_RNA)
where:
Base-Base interactions energy: -778.069
where: short stacking energy: -328.120
Base-Backbone interact. energy: 8.962
local terms energy: -336.884485
where:
bonds (distance) C4'-P energy: -59.450
bonds (distance) P-C4' energy: -68.380
flat angles C4'-P-C4' energy: -68.399
flat angles P-C4'-P energy: -54.778
tors. eta vs tors. theta energy: -85.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -1039.825346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.825346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.825346 (E_RNA)
where:
Base-Base interactions energy: -695.995
where: short stacking energy: -299.938
Base-Backbone interact. energy: 0.817
local terms energy: -344.647592
where:
bonds (distance) C4'-P energy: -64.881
bonds (distance) P-C4' energy: -67.781
flat angles C4'-P-C4' energy: -82.504
flat angles P-C4'-P energy: -47.181
tors. eta vs tors. theta energy: -82.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -942.201868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.201868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.201868 (E_RNA)
where:
Base-Base interactions energy: -643.441
where: short stacking energy: -285.985
Base-Backbone interact. energy: -0.869
local terms energy: -297.891913
where:
bonds (distance) C4'-P energy: -51.729
bonds (distance) P-C4' energy: -64.259
flat angles C4'-P-C4' energy: -61.325
flat angles P-C4'-P energy: -44.541
tors. eta vs tors. theta energy: -76.039
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: 2
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -938.891930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.891930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.891930 (E_RNA)
where:
Base-Base interactions energy: -620.723
where: short stacking energy: -291.209
Base-Backbone interact. energy: -0.386
local terms energy: -317.782663
where:
bonds (distance) C4'-P energy: -61.752
bonds (distance) P-C4' energy: -63.933
flat angles C4'-P-C4' energy: -68.697
flat angles P-C4'-P energy: -39.864
tors. eta vs tors. theta energy: -83.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -724.971378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.971378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.971378 (E_RNA)
where:
Base-Base interactions energy: -461.106
where: short stacking energy: -191.436
Base-Backbone interact. energy: 2.127
local terms energy: -265.992455
where:
bonds (distance) C4'-P energy: -60.342
bonds (distance) P-C4' energy: -70.629
flat angles C4'-P-C4' energy: -66.095
flat angles P-C4'-P energy: -34.664
tors. eta vs tors. theta energy: -34.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -795.904257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.904257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.904257 (E_RNA)
where:
Base-Base interactions energy: -557.375
where: short stacking energy: -225.949
Base-Backbone interact. energy: -1.276
local terms energy: -237.253450
where:
bonds (distance) C4'-P energy: -45.353
bonds (distance) P-C4' energy: -66.011
flat angles C4'-P-C4' energy: -55.736
flat angles P-C4'-P energy: -28.652
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: 9, replica: 5
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -447.944568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.944568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.944568 (E_RNA)
where:
Base-Base interactions energy: -259.014
where: short stacking energy: -150.910
Base-Backbone interact. energy: 0.922
local terms energy: -189.852331
where:
bonds (distance) C4'-P energy: -60.434
bonds (distance) P-C4' energy: -53.325
flat angles C4'-P-C4' energy: -39.452
flat angles P-C4'-P energy: -24.704
tors. eta vs tors. theta energy: -11.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -295.137337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.137337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.137337 (E_RNA)
where:
Base-Base interactions energy: -133.498
where: short stacking energy: -117.697
Base-Backbone interact. energy: -0.253
local terms energy: -161.386827
where:
bonds (distance) C4'-P energy: -48.676
bonds (distance) P-C4' energy: -42.235
flat angles C4'-P-C4' energy: -53.125
flat angles P-C4'-P energy: -19.271
tors. eta vs tors. theta energy: 1.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -1196.691502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.691502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.691502 (E_RNA)
where:
Base-Base interactions energy: -823.256
where: short stacking energy: -366.976
Base-Backbone interact. energy: -0.311
local terms energy: -373.124954
where:
bonds (distance) C4'-P energy: -68.857
bonds (distance) P-C4' energy: -62.524
flat angles C4'-P-C4' energy: -72.038
flat angles P-C4'-P energy: -55.676
tors. eta vs tors. theta energy: -114.030
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: 10
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -1111.656905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.656905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.656905 (E_RNA)
where:
Base-Base interactions energy: -766.278
where: short stacking energy: -325.924
Base-Backbone interact. energy: -2.479
local terms energy: -342.899892
where:
bonds (distance) C4'-P energy: -66.848
bonds (distance) P-C4' energy: -69.826
flat angles C4'-P-C4' energy: -71.955
flat angles P-C4'-P energy: -48.131
tors. eta vs tors. theta energy: -86.140
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: 8
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -1103.580621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.580621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.580621 (E_RNA)
where:
Base-Base interactions energy: -784.707
where: short stacking energy: -338.538
Base-Backbone interact. energy: 4.857
local terms energy: -323.730277
where:
bonds (distance) C4'-P energy: -59.588
bonds (distance) P-C4' energy: -65.424
flat angles C4'-P-C4' energy: -67.751
flat angles P-C4'-P energy: -44.063
tors. eta vs tors. theta energy: -86.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -1033.838368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.838368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.838368 (E_RNA)
where:
Base-Base interactions energy: -715.134
where: short stacking energy: -312.768
Base-Backbone interact. energy: 0.697
local terms energy: -319.402050
where:
bonds (distance) C4'-P energy: -55.132
bonds (distance) P-C4' energy: -55.423
flat angles C4'-P-C4' energy: -75.777
flat angles P-C4'-P energy: -45.750
tors. eta vs tors. theta energy: -87.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -951.218174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.218174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.218174 (E_RNA)
where:
Base-Base interactions energy: -652.699
where: short stacking energy: -297.920
Base-Backbone interact. energy: -1.420
local terms energy: -297.098648
where:
bonds (distance) C4'-P energy: -60.584
bonds (distance) P-C4' energy: -57.749
flat angles C4'-P-C4' energy: -58.076
flat angles P-C4'-P energy: -41.634
tors. eta vs tors. theta energy: -79.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -941.095958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.095958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.095958 (E_RNA)
where:
Base-Base interactions energy: -629.995
where: short stacking energy: -278.770
Base-Backbone interact. energy: 0.142
local terms energy: -311.242604
where:
bonds (distance) C4'-P energy: -58.310
bonds (distance) P-C4' energy: -60.674
flat angles C4'-P-C4' energy: -77.153
flat angles P-C4'-P energy: -37.426
tors. eta vs tors. theta energy: -77.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -770.329923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.329923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.329923 (E_RNA)
where:
Base-Base interactions energy: -522.409
where: short stacking energy: -221.794
Base-Backbone interact. energy: -0.434
local terms energy: -247.486905
where:
bonds (distance) C4'-P energy: -49.097
bonds (distance) P-C4' energy: -61.685
flat angles C4'-P-C4' energy: -50.885
flat angles P-C4'-P energy: -33.078
tors. eta vs tors. theta energy: -52.742
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: 9
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -805.005285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.005285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.005285 (E_RNA)
where:
Base-Base interactions energy: -549.896
where: short stacking energy: -217.853
Base-Backbone interact. energy: -1.155
local terms energy: -253.953471
where:
bonds (distance) C4'-P energy: -56.344
bonds (distance) P-C4' energy: -63.505
flat angles C4'-P-C4' energy: -51.085
flat angles P-C4'-P energy: -34.589
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: 9, replica: 5
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -466.059741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.059741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.059741 (E_RNA)
where:
Base-Base interactions energy: -275.060
where: short stacking energy: -150.357
Base-Backbone interact. energy: 0.324
local terms energy: -191.323838
where:
bonds (distance) C4'-P energy: -47.207
bonds (distance) P-C4' energy: -54.912
flat angles C4'-P-C4' energy: -53.935
flat angles P-C4'-P energy: -20.967
tors. eta vs tors. theta energy: -14.303
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: 7
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -275.043589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.043589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.043589 (E_RNA)
where:
Base-Base interactions energy: -107.374
where: short stacking energy: -74.906
Base-Backbone interact. energy: -1.444
local terms energy: -166.225150
where:
bonds (distance) C4'-P energy: -44.884
bonds (distance) P-C4' energy: -55.723
flat angles C4'-P-C4' energy: -55.032
flat angles P-C4'-P energy: -29.060
tors. eta vs tors. theta energy: 18.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -1185.287057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.287057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.287057 (E_RNA)
where:
Base-Base interactions energy: -806.807
where: short stacking energy: -355.918
Base-Backbone interact. energy: -0.829
local terms energy: -377.650636
where:
bonds (distance) C4'-P energy: -71.151
bonds (distance) P-C4' energy: -70.993
flat angles C4'-P-C4' energy: -76.539
flat angles P-C4'-P energy: -48.176
tors. eta vs tors. theta energy: -110.792
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: 316
Temperature: 0.950000
Total energy: -1115.843799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.843799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.843799 (E_RNA)
where:
Base-Base interactions energy: -767.018
where: short stacking energy: -335.205
Base-Backbone interact. energy: -0.944
local terms energy: -347.881897
where:
bonds (distance) C4'-P energy: -55.810
bonds (distance) P-C4' energy: -68.105
flat angles C4'-P-C4' energy: -80.010
flat angles P-C4'-P energy: -40.491
tors. eta vs tors. theta energy: -103.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -1100.583929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.583929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.583929 (E_RNA)
where:
Base-Base interactions energy: -778.832
where: short stacking energy: -318.213
Base-Backbone interact. energy: 1.493
local terms energy: -323.244778
where:
bonds (distance) C4'-P energy: -58.257
bonds (distance) P-C4' energy: -63.346
flat angles C4'-P-C4' energy: -65.531
flat angles P-C4'-P energy: -51.418
tors. eta vs tors. theta energy: -84.692
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: 4
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -1025.540824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.540824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.540824 (E_RNA)
where:
Base-Base interactions energy: -696.225
where: short stacking energy: -315.745
Base-Backbone interact. energy: 2.697
local terms energy: -332.012701
where:
bonds (distance) C4'-P energy: -52.702
bonds (distance) P-C4' energy: -72.242
flat angles C4'-P-C4' energy: -65.988
flat angles P-C4'-P energy: -47.586
tors. eta vs tors. theta energy: -93.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -952.288227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.288227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.288227 (E_RNA)
where:
Base-Base interactions energy: -645.522
where: short stacking energy: -279.953
Base-Backbone interact. energy: 1.703
local terms energy: -308.469816
where:
bonds (distance) C4'-P energy: -58.755
bonds (distance) P-C4' energy: -69.706
flat angles C4'-P-C4' energy: -66.388
flat angles P-C4'-P energy: -43.665
tors. eta vs tors. theta energy: -69.955
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: 3
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -897.968938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.968938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.968938 (E_RNA)
where:
Base-Base interactions energy: -620.009
where: short stacking energy: -277.409
Base-Backbone interact. energy: -0.925
local terms energy: -277.034388
where:
bonds (distance) C4'-P energy: -49.992
bonds (distance) P-C4' energy: -47.769
flat angles C4'-P-C4' energy: -66.465
flat angles P-C4'-P energy: -31.879
tors. eta vs tors. theta energy: -80.929
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: 6
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -765.458432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.458432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.458432 (E_RNA)
where:
Base-Base interactions energy: -486.902
where: short stacking energy: -227.643
Base-Backbone interact. energy: -0.798
local terms energy: -277.759174
where:
bonds (distance) C4'-P energy: -53.196
bonds (distance) P-C4' energy: -62.017
flat angles C4'-P-C4' energy: -65.253
flat angles P-C4'-P energy: -41.192
tors. eta vs tors. theta energy: -56.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -740.054496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.054496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.054496 (E_RNA)
where:
Base-Base interactions energy: -486.727
where: short stacking energy: -211.321
Base-Backbone interact. energy: -0.258
local terms energy: -253.069091
where:
bonds (distance) C4'-P energy: -46.224
bonds (distance) P-C4' energy: -57.273
flat angles C4'-P-C4' energy: -61.234
flat angles P-C4'-P energy: -35.056
tors. eta vs tors. theta energy: -53.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -315.444770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.444770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.444770 (E_RNA)
where:
Base-Base interactions energy: -153.606
where: short stacking energy: -104.079
Base-Backbone interact. energy: 3.057
local terms energy: -164.895060
where:
bonds (distance) C4'-P energy: -46.210
bonds (distance) P-C4' energy: -62.631
flat angles C4'-P-C4' energy: -41.972
flat angles P-C4'-P energy: -21.262
tors. eta vs tors. theta energy: 7.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -424.854138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.854138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.854138 (E_RNA)
where:
Base-Base interactions energy: -230.493
where: short stacking energy: -128.894
Base-Backbone interact. energy: 2.575
local terms energy: -196.936842
where:
bonds (distance) C4'-P energy: -54.340
bonds (distance) P-C4' energy: -54.791
flat angles C4'-P-C4' energy: -51.735
flat angles P-C4'-P energy: -32.079
tors. eta vs tors. theta energy: -3.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -1185.471747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.471747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.471747 (E_RNA)
where:
Base-Base interactions energy: -828.997
where: short stacking energy: -371.681
Base-Backbone interact. energy: -0.086
local terms energy: -356.387761
where:
bonds (distance) C4'-P energy: -52.699
bonds (distance) P-C4' energy: -66.705
flat angles C4'-P-C4' energy: -77.340
flat angles P-C4'-P energy: -47.272
tors. eta vs tors. theta energy: -112.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -1137.959034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.959034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.959034 (E_RNA)
where:
Base-Base interactions energy: -776.838
where: short stacking energy: -342.368
Base-Backbone interact. energy: -1.716
local terms energy: -359.405229
where:
bonds (distance) C4'-P energy: -63.826
bonds (distance) P-C4' energy: -66.074
flat angles C4'-P-C4' energy: -72.193
flat angles P-C4'-P energy: -50.372
tors. eta vs tors. theta energy: -106.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -1095.527591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.527591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.527591 (E_RNA)
where:
Base-Base interactions energy: -748.369
where: short stacking energy: -318.457
Base-Backbone interact. energy: -1.101
local terms energy: -346.057469
where:
bonds (distance) C4'-P energy: -64.754
bonds (distance) P-C4' energy: -66.075
flat angles C4'-P-C4' energy: -74.940
flat angles P-C4'-P energy: -48.918
tors. eta vs tors. theta energy: -91.370
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: 2
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -1042.430043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.430043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.430043 (E_RNA)
where:
Base-Base interactions energy: -714.251
where: short stacking energy: -301.384
Base-Backbone interact. energy: -1.845
local terms energy: -326.334509
where:
bonds (distance) C4'-P energy: -54.073
bonds (distance) P-C4' energy: -54.939
flat angles C4'-P-C4' energy: -75.385
flat angles P-C4'-P energy: -55.871
tors. eta vs tors. theta energy: -86.066
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: 4
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -1009.264467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.264467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.264467 (E_RNA)
where:
Base-Base interactions energy: -695.640
where: short stacking energy: -299.814
Base-Backbone interact. energy: -3.137
local terms energy: -310.487111
where:
bonds (distance) C4'-P energy: -67.318
bonds (distance) P-C4' energy: -55.331
flat angles C4'-P-C4' energy: -64.485
flat angles P-C4'-P energy: -38.582
tors. eta vs tors. theta energy: -84.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -953.607678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.607678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.607678 (E_RNA)
where:
Base-Base interactions energy: -644.283
where: short stacking energy: -286.982
Base-Backbone interact. energy: 2.259
local terms energy: -311.584026
where:
bonds (distance) C4'-P energy: -48.137
bonds (distance) P-C4' energy: -57.136
flat angles C4'-P-C4' energy: -73.098
flat angles P-C4'-P energy: -47.187
tors. eta vs tors. theta energy: -86.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -822.106710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.106710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.106710 (E_RNA)
where:
Base-Base interactions energy: -531.584
where: short stacking energy: -227.875
Base-Backbone interact. energy: -0.542
local terms energy: -289.980104
where:
bonds (distance) C4'-P energy: -61.797
bonds (distance) P-C4' energy: -62.448
flat angles C4'-P-C4' energy: -63.198
flat angles P-C4'-P energy: -38.492
tors. eta vs tors. theta energy: -64.047
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: 317
Temperature: 1.250000
Total energy: -722.092142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.092142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.092142 (E_RNA)
where:
Base-Base interactions energy: -482.770
where: short stacking energy: -215.890
Base-Backbone interact. energy: -0.348
local terms energy: -238.974839
where:
bonds (distance) C4'-P energy: -43.692
bonds (distance) P-C4' energy: -57.658
flat angles C4'-P-C4' energy: -59.440
flat angles P-C4'-P energy: -30.225
tors. eta vs tors. theta energy: -47.960
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: 7
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -355.803898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.803898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.803898 (E_RNA)
where:
Base-Base interactions energy: -150.030
where: short stacking energy: -100.821
Base-Backbone interact. energy: -1.010
local terms energy: -204.764464
where:
bonds (distance) C4'-P energy: -64.459
bonds (distance) P-C4' energy: -58.584
flat angles C4'-P-C4' energy: -55.259
flat angles P-C4'-P energy: -23.544
tors. eta vs tors. theta energy: -2.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -452.633530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.633530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.633530 (E_RNA)
where:
Base-Base interactions energy: -236.399
where: short stacking energy: -141.386
Base-Backbone interact. energy: 1.180
local terms energy: -217.413917
where:
bonds (distance) C4'-P energy: -55.284
bonds (distance) P-C4' energy: -54.667
flat angles C4'-P-C4' energy: -52.547
flat angles P-C4'-P energy: -37.261
tors. eta vs tors. theta energy: -17.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -1178.703867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.703867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.703867 (E_RNA)
where:
Base-Base interactions energy: -813.301
where: short stacking energy: -370.359
Base-Backbone interact. energy: -0.184
local terms energy: -365.218895
where:
bonds (distance) C4'-P energy: -60.618
bonds (distance) P-C4' energy: -65.711
flat angles C4'-P-C4' energy: -75.509
flat angles P-C4'-P energy: -49.013
tors. eta vs tors. theta energy: -114.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -1123.483641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.483641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.483641 (E_RNA)
where:
Base-Base interactions energy: -784.222
where: short stacking energy: -354.871
Base-Backbone interact. energy: -1.247
local terms energy: -338.014378
where:
bonds (distance) C4'-P energy: -65.167
bonds (distance) P-C4' energy: -54.697
flat angles C4'-P-C4' energy: -70.630
flat angles P-C4'-P energy: -45.486
tors. eta vs tors. theta energy: -102.034
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: 8
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -1100.261372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.261372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.261372 (E_RNA)
where:
Base-Base interactions energy: -788.884
where: short stacking energy: -333.387
Base-Backbone interact. energy: -1.340
local terms energy: -310.037652
where:
bonds (distance) C4'-P energy: -52.742
bonds (distance) P-C4' energy: -52.465
flat angles C4'-P-C4' energy: -71.203
flat angles P-C4'-P energy: -45.275
tors. eta vs tors. theta energy: -88.353
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: 2
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -1060.211918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.211918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.211918 (E_RNA)
where:
Base-Base interactions energy: -719.414
where: short stacking energy: -304.580
Base-Backbone interact. energy: -0.309
local terms energy: -340.489113
where:
bonds (distance) C4'-P energy: -62.737
bonds (distance) P-C4' energy: -70.677
flat angles C4'-P-C4' energy: -71.756
flat angles P-C4'-P energy: -55.308
tors. eta vs tors. theta energy: -80.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -972.362385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.362385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.362385 (E_RNA)
where:
Base-Base interactions energy: -668.656
where: short stacking energy: -290.711
Base-Backbone interact. energy: -0.002
local terms energy: -303.704318
where:
bonds (distance) C4'-P energy: -58.613
bonds (distance) P-C4' energy: -56.683
flat angles C4'-P-C4' energy: -60.337
flat angles P-C4'-P energy: -45.669
tors. eta vs tors. theta energy: -82.402
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: 6, replica: 4
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -958.802682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.802682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.802682 (E_RNA)
where:
Base-Base interactions energy: -653.101
where: short stacking energy: -273.898
Base-Backbone interact. energy: 3.196
local terms energy: -308.896777
where:
bonds (distance) C4'-P energy: -58.487
bonds (distance) P-C4' energy: -52.122
flat angles C4'-P-C4' energy: -68.642
flat angles P-C4'-P energy: -52.386
tors. eta vs tors. theta energy: -77.260
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: 6
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -792.695780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.695780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.695780 (E_RNA)
where:
Base-Base interactions energy: -497.660
where: short stacking energy: -238.791
Base-Backbone interact. energy: -1.060
local terms energy: -293.975638
where:
bonds (distance) C4'-P energy: -72.805
bonds (distance) P-C4' energy: -63.076
flat angles C4'-P-C4' energy: -59.588
flat angles P-C4'-P energy: -36.750
tors. eta vs tors. theta energy: -61.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -690.428557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.428557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.428557 (E_RNA)
where:
Base-Base interactions energy: -439.960
where: short stacking energy: -209.449
Base-Backbone interact. energy: -1.452
local terms energy: -249.016496
where:
bonds (distance) C4'-P energy: -48.299
bonds (distance) P-C4' energy: -57.315
flat angles C4'-P-C4' energy: -50.141
flat angles P-C4'-P energy: -48.881
tors. eta vs tors. theta energy: -44.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -448.423825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.423825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.423825 (E_RNA)
where:
Base-Base interactions energy: -246.567
where: short stacking energy: -134.792
Base-Backbone interact. energy: 0.324
local terms energy: -202.181075
where:
bonds (distance) C4'-P energy: -56.956
bonds (distance) P-C4' energy: -55.791
flat angles C4'-P-C4' energy: -49.825
flat angles P-C4'-P energy: -31.245
tors. eta vs tors. theta energy: -8.364
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: 10, replica: 7
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -322.552743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.552743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.552743 (E_RNA)
where:
Base-Base interactions energy: -139.895
where: short stacking energy: -89.936
Base-Backbone interact. energy: -1.549
local terms energy: -181.108821
where:
bonds (distance) C4'-P energy: -43.559
bonds (distance) P-C4' energy: -62.258
flat angles C4'-P-C4' energy: -46.315
flat angles P-C4'-P energy: -30.376
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: 1
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -1186.694343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.694343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.694343 (E_RNA)
where:
Base-Base interactions energy: -816.923
where: short stacking energy: -353.655
Base-Backbone interact. energy: -0.220
local terms energy: -369.551857
where:
bonds (distance) C4'-P energy: -63.393
bonds (distance) P-C4' energy: -65.726
flat angles C4'-P-C4' energy: -80.615
flat angles P-C4'-P energy: -48.384
tors. eta vs tors. theta energy: -111.433
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: 10
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -1133.568337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.568337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.568337 (E_RNA)
where:
Base-Base interactions energy: -781.357
where: short stacking energy: -341.540
Base-Backbone interact. energy: -1.369
local terms energy: -350.842845
where:
bonds (distance) C4'-P energy: -58.454
bonds (distance) P-C4' energy: -55.938
flat angles C4'-P-C4' energy: -76.258
flat angles P-C4'-P energy: -48.139
tors. eta vs tors. theta energy: -112.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -1127.322269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.322269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.322269 (E_RNA)
where:
Base-Base interactions energy: -789.298
where: short stacking energy: -323.264
Base-Backbone interact. energy: 1.267
local terms energy: -339.290948
where:
bonds (distance) C4'-P energy: -55.533
bonds (distance) P-C4' energy: -68.341
flat angles C4'-P-C4' energy: -70.463
flat angles P-C4'-P energy: -55.345
tors. eta vs tors. theta energy: -89.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -1042.795559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.795559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.795559 (E_RNA)
where:
Base-Base interactions energy: -730.353
where: short stacking energy: -292.782
Base-Backbone interact. energy: -3.077
local terms energy: -309.365358
where:
bonds (distance) C4'-P energy: -56.133
bonds (distance) P-C4' energy: -62.136
flat angles C4'-P-C4' energy: -71.313
flat angles P-C4'-P energy: -43.716
tors. eta vs tors. theta energy: -76.067
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: 3
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -990.341626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.341626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.341626 (E_RNA)
where:
Base-Base interactions energy: -669.976
where: short stacking energy: -300.553
Base-Backbone interact. energy: -1.608
local terms energy: -318.757147
where:
bonds (distance) C4'-P energy: -62.930
bonds (distance) P-C4' energy: -48.677
flat angles C4'-P-C4' energy: -67.899
flat angles P-C4'-P energy: -52.233
tors. eta vs tors. theta energy: -87.018
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: 4
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -950.494994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.494994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.494994 (E_RNA)
where:
Base-Base interactions energy: -669.156
where: short stacking energy: -291.847
Base-Backbone interact. energy: -1.286
local terms energy: -280.053407
where:
bonds (distance) C4'-P energy: -43.544
bonds (distance) P-C4' energy: -54.587
flat angles C4'-P-C4' energy: -57.341
flat angles P-C4'-P energy: -35.658
tors. eta vs tors. theta energy: -88.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -831.961664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.961664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.961664 (E_RNA)
where:
Base-Base interactions energy: -558.824
where: short stacking energy: -261.705
Base-Backbone interact. energy: 0.559
local terms energy: -273.696078
where:
bonds (distance) C4'-P energy: -43.511
bonds (distance) P-C4' energy: -55.921
flat angles C4'-P-C4' energy: -55.696
flat angles P-C4'-P energy: -46.690
tors. eta vs tors. theta energy: -71.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -701.070026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.070026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.070026 (E_RNA)
where:
Base-Base interactions energy: -454.557
where: short stacking energy: -195.477
Base-Backbone interact. energy: -1.344
local terms energy: -245.169325
where:
bonds (distance) C4'-P energy: -52.383
bonds (distance) P-C4' energy: -52.702
flat angles C4'-P-C4' energy: -54.634
flat angles P-C4'-P energy: -37.690
tors. eta vs tors. theta energy: -47.760
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: 5
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -462.493537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.493537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.493537 (E_RNA)
where:
Base-Base interactions energy: -254.753
where: short stacking energy: -132.103
Base-Backbone interact. energy: 1.364
local terms energy: -209.103800
where:
bonds (distance) C4'-P energy: -50.253
bonds (distance) P-C4' energy: -52.759
flat angles C4'-P-C4' energy: -46.291
flat angles P-C4'-P energy: -40.340
tors. eta vs tors. theta energy: -19.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -290.768943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.768943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.768943 (E_RNA)
where:
Base-Base interactions energy: -126.403
where: short stacking energy: -81.742
Base-Backbone interact. energy: 0.296
local terms energy: -164.662118
where:
bonds (distance) C4'-P energy: -55.801
bonds (distance) P-C4' energy: -43.784
flat angles C4'-P-C4' energy: -52.189
flat angles P-C4'-P energy: -19.634
tors. eta vs tors. theta energy: 6.747
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: 1
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -1189.009989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.009989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.009989 (E_RNA)
where:
Base-Base interactions energy: -817.908
where: short stacking energy: -355.927
Base-Backbone interact. energy: -0.264
local terms energy: -370.838480
where:
bonds (distance) C4'-P energy: -63.151
bonds (distance) P-C4' energy: -60.352
flat angles C4'-P-C4' energy: -79.822
flat angles P-C4'-P energy: -51.199
tors. eta vs tors. theta energy: -116.314
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: 10
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -1134.902867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.902867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.902867 (E_RNA)
where:
Base-Base interactions energy: -765.329
where: short stacking energy: -331.507
Base-Backbone interact. energy: -1.592
local terms energy: -367.981834
where:
bonds (distance) C4'-P energy: -69.116
bonds (distance) P-C4' energy: -71.438
flat angles C4'-P-C4' energy: -80.334
flat angles P-C4'-P energy: -50.144
tors. eta vs tors. theta energy: -96.950
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: 8
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -1123.589102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.589102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.589102 (E_RNA)
where:
Base-Base interactions energy: -788.867
where: short stacking energy: -301.645
Base-Backbone interact. energy: -0.250
local terms energy: -334.471852
where:
bonds (distance) C4'-P energy: -60.879
bonds (distance) P-C4' energy: -63.638
flat angles C4'-P-C4' energy: -72.842
flat angles P-C4'-P energy: -44.639
tors. eta vs tors. theta energy: -92.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -1065.665543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.665543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.665543 (E_RNA)
where:
Base-Base interactions energy: -734.314
where: short stacking energy: -318.357
Base-Backbone interact. energy: 0.460
local terms energy: -331.812269
where:
bonds (distance) C4'-P energy: -61.221
bonds (distance) P-C4' energy: -65.776
flat angles C4'-P-C4' energy: -68.627
flat angles P-C4'-P energy: -50.956
tors. eta vs tors. theta energy: -85.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -1007.686711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.686711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.686711 (E_RNA)
where:
Base-Base interactions energy: -704.608
where: short stacking energy: -302.778
Base-Backbone interact. energy: -2.987
local terms energy: -300.091962
where:
bonds (distance) C4'-P energy: -50.549
bonds (distance) P-C4' energy: -59.484
flat angles C4'-P-C4' energy: -65.394
flat angles P-C4'-P energy: -46.799
tors. eta vs tors. theta energy: -77.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -933.003809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.003809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.003809 (E_RNA)
where:
Base-Base interactions energy: -632.388
where: short stacking energy: -272.552
Base-Backbone interact. energy: -0.734
local terms energy: -299.881612
where:
bonds (distance) C4'-P energy: -54.827
bonds (distance) P-C4' energy: -65.388
flat angles C4'-P-C4' energy: -58.879
flat angles P-C4'-P energy: -46.050
tors. eta vs tors. theta energy: -74.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -802.132054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.132054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.132054 (E_RNA)
where:
Base-Base interactions energy: -527.663
where: short stacking energy: -229.303
Base-Backbone interact. energy: 3.230
local terms energy: -277.699394
where:
bonds (distance) C4'-P energy: -61.078
bonds (distance) P-C4' energy: -54.010
flat angles C4'-P-C4' energy: -72.944
flat angles P-C4'-P energy: -34.231
tors. eta vs tors. theta energy: -55.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -725.846579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.846579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.846579 (E_RNA)
where:
Base-Base interactions energy: -492.660
where: short stacking energy: -237.564
Base-Backbone interact. energy: 2.110
local terms energy: -235.296729
where:
bonds (distance) C4'-P energy: -43.410
bonds (distance) P-C4' energy: -43.541
flat angles C4'-P-C4' energy: -58.312
flat angles P-C4'-P energy: -31.924
tors. eta vs tors. theta energy: -58.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -478.250582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.250582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.250582 (E_RNA)
where:
Base-Base interactions energy: -252.489
where: short stacking energy: -131.041
Base-Backbone interact. energy: -0.726
local terms energy: -225.034773
where:
bonds (distance) C4'-P energy: -58.290
bonds (distance) P-C4' energy: -55.869
flat angles C4'-P-C4' energy: -52.519
flat angles P-C4'-P energy: -40.550
tors. eta vs tors. theta energy: -17.806
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: 7
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -282.157842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.157842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.157842 (E_RNA)
where:
Base-Base interactions energy: -121.805
where: short stacking energy: -103.689
Base-Backbone interact. energy: 7.079
local terms energy: -167.431936
where:
bonds (distance) C4'-P energy: -38.757
bonds (distance) P-C4' energy: -61.293
flat angles C4'-P-C4' energy: -48.026
flat angles P-C4'-P energy: -21.956
tors. eta vs tors. theta energy: 2.599
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: 1
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -1190.023898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.023898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.023898 (E_RNA)
where:
Base-Base interactions energy: -824.016
where: short stacking energy: -360.279
Base-Backbone interact. energy: -0.873
local terms energy: -365.134258
where:
bonds (distance) C4'-P energy: -61.133
bonds (distance) P-C4' energy: -65.294
flat angles C4'-P-C4' energy: -76.706
flat angles P-C4'-P energy: -48.632
tors. eta vs tors. theta energy: -113.369
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: 8
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -1137.272927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.272927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.272927 (E_RNA)
where:
Base-Base interactions energy: -795.772
where: short stacking energy: -327.066
Base-Backbone interact. energy: 2.655
local terms energy: -344.155978
where:
bonds (distance) C4'-P energy: -71.939
bonds (distance) P-C4' energy: -56.463
flat angles C4'-P-C4' energy: -74.505
flat angles P-C4'-P energy: -53.221
tors. eta vs tors. theta energy: -88.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -1100.890648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.890648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.890648 (E_RNA)
where:
Base-Base interactions energy: -754.118
where: short stacking energy: -355.312
Base-Backbone interact. energy: 0.652
local terms energy: -347.425186
where:
bonds (distance) C4'-P energy: -62.955
bonds (distance) P-C4' energy: -55.268
flat angles C4'-P-C4' energy: -71.313
flat angles P-C4'-P energy: -49.128
tors. eta vs tors. theta energy: -108.762
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: 2
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -1062.635344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.635344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.635344 (E_RNA)
where:
Base-Base interactions energy: -735.470
where: short stacking energy: -315.585
Base-Backbone interact. energy: -0.719
local terms energy: -326.446213
where:
bonds (distance) C4'-P energy: -51.307
bonds (distance) P-C4' energy: -67.317
flat angles C4'-P-C4' energy: -74.219
flat angles P-C4'-P energy: -48.685
tors. eta vs tors. theta energy: -84.918
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: 5, replica: 4
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -1015.524360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.524360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.524360 (E_RNA)
where:
Base-Base interactions energy: -691.964
where: short stacking energy: -323.955
Base-Backbone interact. energy: 0.685
local terms energy: -324.245889
where:
bonds (distance) C4'-P energy: -59.156
bonds (distance) P-C4' energy: -56.551
flat angles C4'-P-C4' energy: -73.854
flat angles P-C4'-P energy: -46.123
tors. eta vs tors. theta energy: -88.562
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: 6, replica: 3
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -932.899433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.899433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.899433 (E_RNA)
where:
Base-Base interactions energy: -637.005
where: short stacking energy: -269.250
Base-Backbone interact. energy: -0.578
local terms energy: -295.316358
where:
bonds (distance) C4'-P energy: -55.932
bonds (distance) P-C4' energy: -61.606
flat angles C4'-P-C4' energy: -66.163
flat angles P-C4'-P energy: -48.207
tors. eta vs tors. theta energy: -63.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -762.871596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.871596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.871596 (E_RNA)
where:
Base-Base interactions energy: -489.353
where: short stacking energy: -242.276
Base-Backbone interact. energy: -1.277
local terms energy: -272.241588
where:
bonds (distance) C4'-P energy: -57.743
bonds (distance) P-C4' energy: -52.147
flat angles C4'-P-C4' energy: -62.234
flat angles P-C4'-P energy: -41.602
tors. eta vs tors. theta energy: -58.515
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: 9
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -658.347280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.347280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.347280 (E_RNA)
where:
Base-Base interactions energy: -434.704
where: short stacking energy: -208.855
Base-Backbone interact. energy: 1.381
local terms energy: -225.024124
where:
bonds (distance) C4'-P energy: -45.899
bonds (distance) P-C4' energy: -54.284
flat angles C4'-P-C4' energy: -49.330
flat angles P-C4'-P energy: -36.483
tors. eta vs tors. theta energy: -39.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -470.617168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.617168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.617168 (E_RNA)
where:
Base-Base interactions energy: -267.468
where: short stacking energy: -149.623
Base-Backbone interact. energy: -0.823
local terms energy: -202.325936
where:
bonds (distance) C4'-P energy: -51.543
bonds (distance) P-C4' energy: -42.892
flat angles C4'-P-C4' energy: -53.345
flat angles P-C4'-P energy: -34.293
tors. eta vs tors. theta energy: -20.252
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: 7
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -308.249716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.249716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.249716 (E_RNA)
where:
Base-Base interactions energy: -112.277
where: short stacking energy: -89.601
Base-Backbone interact. energy: -1.106
local terms energy: -194.866679
where:
bonds (distance) C4'-P energy: -55.128
bonds (distance) P-C4' energy: -61.339
flat angles C4'-P-C4' energy: -46.273
flat angles P-C4'-P energy: -35.896
tors. eta vs tors. theta energy: 3.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -1193.055495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.055495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.055495 (E_RNA)
where:
Base-Base interactions energy: -806.284
where: short stacking energy: -383.128
Base-Backbone interact. energy: -0.688
local terms energy: -386.083296
where:
bonds (distance) C4'-P energy: -64.953
bonds (distance) P-C4' energy: -62.759
flat angles C4'-P-C4' energy: -81.971
flat angles P-C4'-P energy: -52.100
tors. eta vs tors. theta energy: -124.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -1146.618167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.618167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.618167 (E_RNA)
where:
Base-Base interactions energy: -813.341
where: short stacking energy: -326.950
Base-Backbone interact. energy: -0.006
local terms energy: -333.271546
where:
bonds (distance) C4'-P energy: -54.800
bonds (distance) P-C4' energy: -64.461
flat angles C4'-P-C4' energy: -73.743
flat angles P-C4'-P energy: -51.604
tors. eta vs tors. theta energy: -88.664
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: 2
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -1085.740228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.740228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.740228 (E_RNA)
where:
Base-Base interactions energy: -745.006
where: short stacking energy: -346.856
Base-Backbone interact. energy: -1.281
local terms energy: -339.453281
where:
bonds (distance) C4'-P energy: -52.301
bonds (distance) P-C4' energy: -63.239
flat angles C4'-P-C4' energy: -74.948
flat angles P-C4'-P energy: -47.415
tors. eta vs tors. theta energy: -101.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -1039.832843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.832843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.832843 (E_RNA)
where:
Base-Base interactions energy: -716.945
where: short stacking energy: -311.678
Base-Backbone interact. energy: -1.559
local terms energy: -321.328418
where:
bonds (distance) C4'-P energy: -55.498
bonds (distance) P-C4' energy: -62.571
flat angles C4'-P-C4' energy: -72.369
flat angles P-C4'-P energy: -44.036
tors. eta vs tors. theta energy: -86.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -1010.926220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.926220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.926220 (E_RNA)
where:
Base-Base interactions energy: -698.185
where: short stacking energy: -312.282
Base-Backbone interact. energy: -1.130
local terms energy: -311.611705
where:
bonds (distance) C4'-P energy: -63.233
bonds (distance) P-C4' energy: -52.554
flat angles C4'-P-C4' energy: -63.791
flat angles P-C4'-P energy: -38.425
tors. eta vs tors. theta energy: -93.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -917.064451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.064451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.064451 (E_RNA)
where:
Base-Base interactions energy: -631.930
where: short stacking energy: -240.845
Base-Backbone interact. energy: -1.734
local terms energy: -283.401042
where:
bonds (distance) C4'-P energy: -45.259
bonds (distance) P-C4' energy: -62.547
flat angles C4'-P-C4' energy: -64.218
flat angles P-C4'-P energy: -48.321
tors. eta vs tors. theta energy: -63.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -760.395558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.395558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.395558 (E_RNA)
where:
Base-Base interactions energy: -490.528
where: short stacking energy: -243.080
Base-Backbone interact. energy: -1.140
local terms energy: -268.727820
where:
bonds (distance) C4'-P energy: -55.351
bonds (distance) P-C4' energy: -67.911
flat angles C4'-P-C4' energy: -51.260
flat angles P-C4'-P energy: -36.418
tors. eta vs tors. theta energy: -57.787
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: 9
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -669.261683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.261683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.261683 (E_RNA)
where:
Base-Base interactions energy: -433.828
where: short stacking energy: -185.253
Base-Backbone interact. energy: -0.135
local terms energy: -235.298580
where:
bonds (distance) C4'-P energy: -60.898
bonds (distance) P-C4' energy: -51.146
flat angles C4'-P-C4' energy: -51.557
flat angles P-C4'-P energy: -48.370
tors. eta vs tors. theta energy: -23.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -449.461948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.461948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.461948 (E_RNA)
where:
Base-Base interactions energy: -234.077
where: short stacking energy: -124.103
Base-Backbone interact. energy: 0.529
local terms energy: -215.913973
where:
bonds (distance) C4'-P energy: -56.623
bonds (distance) P-C4' energy: -42.214
flat angles C4'-P-C4' energy: -54.347
flat angles P-C4'-P energy: -48.119
tors. eta vs tors. theta energy: -14.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -291.873620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.873620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.873620 (E_RNA)
where:
Base-Base interactions energy: -107.155
where: short stacking energy: -97.251
Base-Backbone interact. energy: -0.326
local terms energy: -184.392503
where:
bonds (distance) C4'-P energy: -50.764
bonds (distance) P-C4' energy: -57.834
flat angles C4'-P-C4' energy: -48.853
flat angles P-C4'-P energy: -19.184
tors. eta vs tors. theta energy: -7.758
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: 1
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -1212.821155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.821155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.821155 (E_RNA)
where:
Base-Base interactions energy: -834.924
where: short stacking energy: -364.492
Base-Backbone interact. energy: -0.437
local terms energy: -377.460374
where:
bonds (distance) C4'-P energy: -69.881
bonds (distance) P-C4' energy: -73.455
flat angles C4'-P-C4' energy: -72.950
flat angles P-C4'-P energy: -47.380
tors. eta vs tors. theta energy: -113.794
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: 2, replica: 8
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -1155.101965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.101965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.101965 (E_RNA)
where:
Base-Base interactions energy: -820.793
where: short stacking energy: -338.606
Base-Backbone interact. energy: -1.635
local terms energy: -332.673401
where:
bonds (distance) C4'-P energy: -64.629
bonds (distance) P-C4' energy: -60.470
flat angles C4'-P-C4' energy: -73.327
flat angles P-C4'-P energy: -44.950
tors. eta vs tors. theta energy: -89.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -1091.874119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.874119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.874119 (E_RNA)
where:
Base-Base interactions energy: -731.085
where: short stacking energy: -298.658
Base-Backbone interact. energy: -0.476
local terms energy: -360.313720
where:
bonds (distance) C4'-P energy: -71.871
bonds (distance) P-C4' energy: -67.233
flat angles C4'-P-C4' energy: -77.751
flat angles P-C4'-P energy: -56.595
tors. eta vs tors. theta energy: -86.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -1052.295873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.295873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.295873 (E_RNA)
where:
Base-Base interactions energy: -726.589
where: short stacking energy: -304.975
Base-Backbone interact. energy: -1.296
local terms energy: -324.410574
where:
bonds (distance) C4'-P energy: -62.753
bonds (distance) P-C4' energy: -54.723
flat angles C4'-P-C4' energy: -72.139
flat angles P-C4'-P energy: -53.086
tors. eta vs tors. theta energy: -81.710
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: 4
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -959.092826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.092826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.092826 (E_RNA)
where:
Base-Base interactions energy: -654.295
where: short stacking energy: -294.683
Base-Backbone interact. energy: 0.738
local terms energy: -305.536397
where:
bonds (distance) C4'-P energy: -55.342
bonds (distance) P-C4' energy: -61.213
flat angles C4'-P-C4' energy: -64.336
flat angles P-C4'-P energy: -47.481
tors. eta vs tors. theta energy: -77.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -941.930762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.930762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.930762 (E_RNA)
where:
Base-Base interactions energy: -638.793
where: short stacking energy: -285.302
Base-Backbone interact. energy: 0.189
local terms energy: -303.327159
where:
bonds (distance) C4'-P energy: -59.248
bonds (distance) P-C4' energy: -54.157
flat angles C4'-P-C4' energy: -63.412
flat angles P-C4'-P energy: -46.696
tors. eta vs tors. theta energy: -79.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -757.460870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.460870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.460870 (E_RNA)
where:
Base-Base interactions energy: -508.928
where: short stacking energy: -237.922
Base-Backbone interact. energy: -1.563
local terms energy: -246.969815
where:
bonds (distance) C4'-P energy: -47.350
bonds (distance) P-C4' energy: -45.744
flat angles C4'-P-C4' energy: -63.721
flat angles P-C4'-P energy: -31.535
tors. eta vs tors. theta energy: -58.619
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: 323
Temperature: 1.250000
Total energy: -701.342676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.342676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.342676 (E_RNA)
where:
Base-Base interactions energy: -459.945
where: short stacking energy: -205.101
Base-Backbone interact. energy: -1.386
local terms energy: -240.012034
where:
bonds (distance) C4'-P energy: -47.614
bonds (distance) P-C4' energy: -53.301
flat angles C4'-P-C4' energy: -63.110
flat angles P-C4'-P energy: -31.551
tors. eta vs tors. theta energy: -44.435
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: 9, replica: 5
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -445.623282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.623282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.623282 (E_RNA)
where:
Base-Base interactions energy: -224.906
where: short stacking energy: -133.714
Base-Backbone interact. energy: -0.736
local terms energy: -219.981364
where:
bonds (distance) C4'-P energy: -61.440
bonds (distance) P-C4' energy: -54.051
flat angles C4'-P-C4' energy: -57.014
flat angles P-C4'-P energy: -36.793
tors. eta vs tors. theta energy: -10.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -321.534818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.534818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.534818 (E_RNA)
where:
Base-Base interactions energy: -133.948
where: short stacking energy: -105.409
Base-Backbone interact. energy: 1.198
local terms energy: -188.784781
where:
bonds (distance) C4'-P energy: -50.443
bonds (distance) P-C4' energy: -54.543
flat angles C4'-P-C4' energy: -46.629
flat angles P-C4'-P energy: -35.494
tors. eta vs tors. theta energy: -1.675
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: 1, replica: 1
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -1190.231498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.231498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.231498 (E_RNA)
where:
Base-Base interactions energy: -832.116
where: short stacking energy: -384.160
Base-Backbone interact. energy: 0.484
local terms energy: -358.599506
where:
bonds (distance) C4'-P energy: -62.760
bonds (distance) P-C4' energy: -58.003
flat angles C4'-P-C4' energy: -78.738
flat angles P-C4'-P energy: -46.619
tors. eta vs tors. theta energy: -112.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -1146.593993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.593993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.593993 (E_RNA)
where:
Base-Base interactions energy: -805.849
where: short stacking energy: -337.132
Base-Backbone interact. energy: -1.750
local terms energy: -338.995269
where:
bonds (distance) C4'-P energy: -68.374
bonds (distance) P-C4' energy: -51.702
flat angles C4'-P-C4' energy: -72.524
flat angles P-C4'-P energy: -50.159
tors. eta vs tors. theta energy: -96.237
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: 324
Temperature: 1.000000
Total energy: -1084.259778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.259778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.259778 (E_RNA)
where:
Base-Base interactions energy: -737.010
where: short stacking energy: -337.554
Base-Backbone interact. energy: -0.255
local terms energy: -346.995679
where:
bonds (distance) C4'-P energy: -64.570
bonds (distance) P-C4' energy: -60.364
flat angles C4'-P-C4' energy: -76.006
flat angles P-C4'-P energy: -41.510
tors. eta vs tors. theta energy: -104.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -1050.667076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.667076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.667076 (E_RNA)
where:
Base-Base interactions energy: -725.449
where: short stacking energy: -304.357
Base-Backbone interact. energy: 0.054
local terms energy: -325.272699
where:
bonds (distance) C4'-P energy: -61.327
bonds (distance) P-C4' energy: -63.947
flat angles C4'-P-C4' energy: -70.177
flat angles P-C4'-P energy: -42.337
tors. eta vs tors. theta energy: -87.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -981.959319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.959319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.959319 (E_RNA)
where:
Base-Base interactions energy: -679.985
where: short stacking energy: -293.236
Base-Backbone interact. energy: -1.194
local terms energy: -300.780003
where:
bonds (distance) C4'-P energy: -60.304
bonds (distance) P-C4' energy: -57.371
flat angles C4'-P-C4' energy: -65.798
flat angles P-C4'-P energy: -37.637
tors. eta vs tors. theta energy: -79.669
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: 4
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -943.786597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.786597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.786597 (E_RNA)
where:
Base-Base interactions energy: -643.259
where: short stacking energy: -293.364
Base-Backbone interact. energy: 0.035
local terms energy: -300.563216
where:
bonds (distance) C4'-P energy: -59.190
bonds (distance) P-C4' energy: -62.148
flat angles C4'-P-C4' energy: -59.565
flat angles P-C4'-P energy: -33.147
tors. eta vs tors. theta energy: -86.513
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: 7, replica: 6
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -759.178686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.178686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.178686 (E_RNA)
where:
Base-Base interactions energy: -496.232
where: short stacking energy: -216.714
Base-Backbone interact. energy: 2.628
local terms energy: -265.574945
where:
bonds (distance) C4'-P energy: -55.936
bonds (distance) P-C4' energy: -55.204
flat angles C4'-P-C4' energy: -68.957
flat angles P-C4'-P energy: -32.392
tors. eta vs tors. theta energy: -53.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -701.830709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.830709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.830709 (E_RNA)
where:
Base-Base interactions energy: -429.555
where: short stacking energy: -184.318
Base-Backbone interact. energy: -0.685
local terms energy: -271.590882
where:
bonds (distance) C4'-P energy: -60.093
bonds (distance) P-C4' energy: -61.709
flat angles C4'-P-C4' energy: -69.092
flat angles P-C4'-P energy: -41.832
tors. eta vs tors. theta energy: -38.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -481.786119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.786119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.786119 (E_RNA)
where:
Base-Base interactions energy: -264.320
where: short stacking energy: -156.754
Base-Backbone interact. energy: -0.051
local terms energy: -217.415373
where:
bonds (distance) C4'-P energy: -52.230
bonds (distance) P-C4' energy: -51.393
flat angles C4'-P-C4' energy: -39.440
flat angles P-C4'-P energy: -35.478
tors. eta vs tors. theta energy: -38.874
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: 7
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -286.022421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.022421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.022421 (E_RNA)
where:
Base-Base interactions energy: -105.156
where: short stacking energy: -82.005
Base-Backbone interact. energy: -1.113
local terms energy: -179.753276
where:
bonds (distance) C4'-P energy: -59.858
bonds (distance) P-C4' energy: -58.260
flat angles C4'-P-C4' energy: -41.777
flat angles P-C4'-P energy: -29.314
tors. eta vs tors. theta energy: 9.456
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: 1
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -1199.876117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.876117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.876117 (E_RNA)
where:
Base-Base interactions energy: -832.117
where: short stacking energy: -368.556
Base-Backbone interact. energy: -0.578
local terms energy: -367.181323
where:
bonds (distance) C4'-P energy: -56.579
bonds (distance) P-C4' energy: -68.116
flat angles C4'-P-C4' energy: -80.316
flat angles P-C4'-P energy: -50.586
tors. eta vs tors. theta energy: -111.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -1108.126526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.126526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.126526 (E_RNA)
where:
Base-Base interactions energy: -757.706
where: short stacking energy: -337.372
Base-Backbone interact. energy: -0.584
local terms energy: -349.836867
where:
bonds (distance) C4'-P energy: -68.000
bonds (distance) P-C4' energy: -62.620
flat angles C4'-P-C4' energy: -70.564
flat angles P-C4'-P energy: -51.034
tors. eta vs tors. theta energy: -97.618
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: 8
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -1111.438467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.438467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.438467 (E_RNA)
where:
Base-Base interactions energy: -803.225
where: short stacking energy: -328.119
Base-Backbone interact. energy: 7.088
local terms energy: -315.301147
where:
bonds (distance) C4'-P energy: -57.321
bonds (distance) P-C4' energy: -61.997
flat angles C4'-P-C4' energy: -69.333
flat angles P-C4'-P energy: -46.850
tors. eta vs tors. theta energy: -79.801
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: 4, replica: 10
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -1040.560226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.560226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.560226 (E_RNA)
where:
Base-Base interactions energy: -714.641
where: short stacking energy: -286.334
Base-Backbone interact. energy: -2.632
local terms energy: -323.287450
where:
bonds (distance) C4'-P energy: -67.051
bonds (distance) P-C4' energy: -61.388
flat angles C4'-P-C4' energy: -72.594
flat angles P-C4'-P energy: -45.252
tors. eta vs tors. theta energy: -77.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -988.507803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.507803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.507803 (E_RNA)
where:
Base-Base interactions energy: -675.675
where: short stacking energy: -307.617
Base-Backbone interact. energy: 1.836
local terms energy: -314.669704
where:
bonds (distance) C4'-P energy: -54.158
bonds (distance) P-C4' energy: -57.540
flat angles C4'-P-C4' energy: -68.545
flat angles P-C4'-P energy: -48.048
tors. eta vs tors. theta energy: -86.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -933.015519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.015519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.015519 (E_RNA)
where:
Base-Base interactions energy: -625.783
where: short stacking energy: -277.285
Base-Backbone interact. energy: -0.470
local terms energy: -306.762592
where:
bonds (distance) C4'-P energy: -52.748
bonds (distance) P-C4' energy: -61.013
flat angles C4'-P-C4' energy: -73.743
flat angles P-C4'-P energy: -42.232
tors. eta vs tors. theta energy: -77.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -772.271265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.271265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.271265 (E_RNA)
where:
Base-Base interactions energy: -503.008
where: short stacking energy: -231.472
Base-Backbone interact. energy: -1.554
local terms energy: -267.709510
where:
bonds (distance) C4'-P energy: -57.072
bonds (distance) P-C4' energy: -66.972
flat angles C4'-P-C4' energy: -61.215
flat angles P-C4'-P energy: -39.096
tors. eta vs tors. theta energy: -43.355
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: 9
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -647.610921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.610921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.610921 (E_RNA)
where:
Base-Base interactions energy: -402.573
where: short stacking energy: -198.006
Base-Backbone interact. energy: -1.880
local terms energy: -243.157924
where:
bonds (distance) C4'-P energy: -49.865
bonds (distance) P-C4' energy: -48.419
flat angles C4'-P-C4' energy: -58.654
flat angles P-C4'-P energy: -49.172
tors. eta vs tors. theta energy: -37.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -442.654246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.654246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.654246 (E_RNA)
where:
Base-Base interactions energy: -233.552
where: short stacking energy: -131.047
Base-Backbone interact. energy: 1.436
local terms energy: -210.538369
where:
bonds (distance) C4'-P energy: -60.414
bonds (distance) P-C4' energy: -50.788
flat angles C4'-P-C4' energy: -47.451
flat angles P-C4'-P energy: -37.436
tors. eta vs tors. theta energy: -14.449
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: 7
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -281.810567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.810567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.810567 (E_RNA)
where:
Base-Base interactions energy: -121.663
where: short stacking energy: -106.755
Base-Backbone interact. energy: 7.215
local terms energy: -167.362419
where:
bonds (distance) C4'-P energy: -51.840
bonds (distance) P-C4' energy: -51.621
flat angles C4'-P-C4' energy: -38.423
flat angles P-C4'-P energy: -27.983
tors. eta vs tors. theta energy: 2.504
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: 1
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -1210.935499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.935499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.935499 (E_RNA)
where:
Base-Base interactions energy: -827.570
where: short stacking energy: -383.526
Base-Backbone interact. energy: -2.069
local terms energy: -381.296299
where:
bonds (distance) C4'-P energy: -67.792
bonds (distance) P-C4' energy: -72.814
flat angles C4'-P-C4' energy: -80.384
flat angles P-C4'-P energy: -43.763
tors. eta vs tors. theta energy: -116.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -1121.166429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.166429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.166429 (E_RNA)
where:
Base-Base interactions energy: -752.710
where: short stacking energy: -329.755
Base-Backbone interact. energy: 1.373
local terms energy: -369.829156
where:
bonds (distance) C4'-P energy: -72.894
bonds (distance) P-C4' energy: -73.321
flat angles C4'-P-C4' energy: -78.506
flat angles P-C4'-P energy: -57.011
tors. eta vs tors. theta energy: -88.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -1141.153225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.153225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.153225 (E_RNA)
where:
Base-Base interactions energy: -815.418
where: short stacking energy: -332.009
Base-Backbone interact. energy: 4.643
local terms energy: -330.378623
where:
bonds (distance) C4'-P energy: -61.423
bonds (distance) P-C4' energy: -68.604
flat angles C4'-P-C4' energy: -65.723
flat angles P-C4'-P energy: -49.717
tors. eta vs tors. theta energy: -84.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -1048.774111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.774111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.774111 (E_RNA)
where:
Base-Base interactions energy: -717.575
where: short stacking energy: -290.379
Base-Backbone interact. energy: -2.610
local terms energy: -328.589833
where:
bonds (distance) C4'-P energy: -59.811
bonds (distance) P-C4' energy: -67.024
flat angles C4'-P-C4' energy: -71.841
flat angles P-C4'-P energy: -50.763
tors. eta vs tors. theta energy: -79.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -930.638901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.638901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.638901 (E_RNA)
where:
Base-Base interactions energy: -639.722
where: short stacking energy: -294.536
Base-Backbone interact. energy: -2.167
local terms energy: -288.749469
where:
bonds (distance) C4'-P energy: -48.434
bonds (distance) P-C4' energy: -53.094
flat angles C4'-P-C4' energy: -59.347
flat angles P-C4'-P energy: -47.073
tors. eta vs tors. theta energy: -80.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -936.068849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.068849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.068849 (E_RNA)
where:
Base-Base interactions energy: -627.635
where: short stacking energy: -262.866
Base-Backbone interact. energy: -0.917
local terms energy: -307.517352
where:
bonds (distance) C4'-P energy: -48.650
bonds (distance) P-C4' energy: -64.992
flat angles C4'-P-C4' energy: -64.375
flat angles P-C4'-P energy: -48.237
tors. eta vs tors. theta energy: -81.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -755.242717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.242717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.242717 (E_RNA)
where:
Base-Base interactions energy: -501.992
where: short stacking energy: -220.617
Base-Backbone interact. energy: 2.650
local terms energy: -255.900622
where:
bonds (distance) C4'-P energy: -45.983
bonds (distance) P-C4' energy: -56.346
flat angles C4'-P-C4' energy: -63.444
flat angles P-C4'-P energy: -37.898
tors. eta vs tors. theta energy: -52.230
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: 9
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -716.500302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.500302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.500302 (E_RNA)
where:
Base-Base interactions energy: -467.980
where: short stacking energy: -185.386
Base-Backbone interact. energy: 0.257
local terms energy: -248.777358
where:
bonds (distance) C4'-P energy: -49.822
bonds (distance) P-C4' energy: -57.018
flat angles C4'-P-C4' energy: -58.048
flat angles P-C4'-P energy: -41.114
tors. eta vs tors. theta energy: -42.776
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: 5
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -467.302769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.302769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.302769 (E_RNA)
where:
Base-Base interactions energy: -254.756
where: short stacking energy: -139.909
Base-Backbone interact. energy: 1.507
local terms energy: -214.054089
where:
bonds (distance) C4'-P energy: -55.931
bonds (distance) P-C4' energy: -48.784
flat angles C4'-P-C4' energy: -48.352
flat angles P-C4'-P energy: -36.672
tors. eta vs tors. theta energy: -24.315
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: 10, replica: 7
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -293.756921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.756921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.756921 (E_RNA)
where:
Base-Base interactions energy: -103.015
where: short stacking energy: -94.921
Base-Backbone interact. energy: 2.923
local terms energy: -193.665267
where:
bonds (distance) C4'-P energy: -56.448
bonds (distance) P-C4' energy: -56.802
flat angles C4'-P-C4' energy: -46.199
flat angles P-C4'-P energy: -29.556
tors. eta vs tors. theta energy: -4.659
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: 1, replica: 1
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -1210.209066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.209066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.209066 (E_RNA)
where:
Base-Base interactions energy: -844.217
where: short stacking energy: -374.840
Base-Backbone interact. energy: -1.577
local terms energy: -364.415621
where:
bonds (distance) C4'-P energy: -54.383
bonds (distance) P-C4' energy: -65.341
flat angles C4'-P-C4' energy: -78.351
flat angles P-C4'-P energy: -51.573
tors. eta vs tors. theta energy: -114.768
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: 8
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -1142.128890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.128890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.128890 (E_RNA)
where:
Base-Base interactions energy: -800.861
where: short stacking energy: -348.781
Base-Backbone interact. energy: 0.325
local terms energy: -341.592888
where:
bonds (distance) C4'-P energy: -56.004
bonds (distance) P-C4' energy: -73.677
flat angles C4'-P-C4' energy: -73.625
flat angles P-C4'-P energy: -52.294
tors. eta vs tors. theta energy: -85.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -1075.645741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.645741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.645741 (E_RNA)
where:
Base-Base interactions energy: -725.468
where: short stacking energy: -328.920
Base-Backbone interact. energy: 0.109
local terms energy: -350.286174
where:
bonds (distance) C4'-P energy: -59.757
bonds (distance) P-C4' energy: -62.606
flat angles C4'-P-C4' energy: -75.542
flat angles P-C4'-P energy: -55.152
tors. eta vs tors. theta energy: -97.229
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: 10
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -1036.015634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.015634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.015634 (E_RNA)
where:
Base-Base interactions energy: -734.341
where: short stacking energy: -284.352
Base-Backbone interact. energy: -2.328
local terms energy: -299.346375
where:
bonds (distance) C4'-P energy: -57.567
bonds (distance) P-C4' energy: -59.741
flat angles C4'-P-C4' energy: -62.876
flat angles P-C4'-P energy: -32.143
tors. eta vs tors. theta energy: -87.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -965.263955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.263955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.263955 (E_RNA)
where:
Base-Base interactions energy: -657.338
where: short stacking energy: -281.239
Base-Backbone interact. energy: -0.820
local terms energy: -307.106204
where:
bonds (distance) C4'-P energy: -50.638
bonds (distance) P-C4' energy: -66.387
flat angles C4'-P-C4' energy: -68.108
flat angles P-C4'-P energy: -44.254
tors. eta vs tors. theta energy: -77.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -951.160301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.160301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.160301 (E_RNA)
where:
Base-Base interactions energy: -656.698
where: short stacking energy: -292.240
Base-Backbone interact. energy: 2.541
local terms energy: -297.003440
where:
bonds (distance) C4'-P energy: -62.255
bonds (distance) P-C4' energy: -58.108
flat angles C4'-P-C4' energy: -60.771
flat angles P-C4'-P energy: -34.130
tors. eta vs tors. theta energy: -81.739
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: 6
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -750.817825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.817825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.817825 (E_RNA)
where:
Base-Base interactions energy: -484.780
where: short stacking energy: -233.100
Base-Backbone interact. energy: 0.224
local terms energy: -266.261787
where:
bonds (distance) C4'-P energy: -56.152
bonds (distance) P-C4' energy: -54.882
flat angles C4'-P-C4' energy: -60.830
flat angles P-C4'-P energy: -35.944
tors. eta vs tors. theta energy: -58.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -727.589183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.589183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.589183 (E_RNA)
where:
Base-Base interactions energy: -446.163
where: short stacking energy: -198.451
Base-Backbone interact. energy: 1.081
local terms energy: -282.507251
where:
bonds (distance) C4'-P energy: -58.569
bonds (distance) P-C4' energy: -62.312
flat angles C4'-P-C4' energy: -70.842
flat angles P-C4'-P energy: -38.572
tors. eta vs tors. theta energy: -52.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -471.571724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.571724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.571724 (E_RNA)
where:
Base-Base interactions energy: -262.947
where: short stacking energy: -146.311
Base-Backbone interact. energy: 1.880
local terms energy: -210.504747
where:
bonds (distance) C4'-P energy: -67.095
bonds (distance) P-C4' energy: -52.783
flat angles C4'-P-C4' energy: -42.448
flat angles P-C4'-P energy: -28.849
tors. eta vs tors. theta energy: -19.330
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: 7
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -292.623889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.623889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.623889 (E_RNA)
where:
Base-Base interactions energy: -109.388
where: short stacking energy: -85.513
Base-Backbone interact. energy: 4.264
local terms energy: -187.500553
where:
bonds (distance) C4'-P energy: -48.866
bonds (distance) P-C4' energy: -62.283
flat angles C4'-P-C4' energy: -39.346
flat angles P-C4'-P energy: -46.401
tors. eta vs tors. theta energy: 9.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -1198.688608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.688608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.688608 (E_RNA)
where:
Base-Base interactions energy: -823.350
where: short stacking energy: -379.116
Base-Backbone interact. energy: -1.630
local terms energy: -373.708771
where:
bonds (distance) C4'-P energy: -71.807
bonds (distance) P-C4' energy: -64.011
flat angles C4'-P-C4' energy: -76.363
flat angles P-C4'-P energy: -53.931
tors. eta vs tors. theta energy: -107.597
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: 2, replica: 8
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -1141.941312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.941312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.941312 (E_RNA)
where:
Base-Base interactions energy: -794.792
where: short stacking energy: -323.919
Base-Backbone interact. energy: -0.702
local terms energy: -346.447388
where:
bonds (distance) C4'-P energy: -67.303
bonds (distance) P-C4' energy: -71.067
flat angles C4'-P-C4' energy: -71.246
flat angles P-C4'-P energy: -50.221
tors. eta vs tors. theta energy: -86.610
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: 2
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -1081.885202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.885202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.885202 (E_RNA)
where:
Base-Base interactions energy: -731.487
where: short stacking energy: -321.634
Base-Backbone interact. energy: -0.482
local terms energy: -349.915978
where:
bonds (distance) C4'-P energy: -63.116
bonds (distance) P-C4' energy: -61.962
flat angles C4'-P-C4' energy: -79.164
flat angles P-C4'-P energy: -53.063
tors. eta vs tors. theta energy: -92.611
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: 10
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -1066.651760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.651760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.651760 (E_RNA)
where:
Base-Base interactions energy: -737.129
where: short stacking energy: -311.054
Base-Backbone interact. energy: -0.414
local terms energy: -329.109207
where:
bonds (distance) C4'-P energy: -62.489
bonds (distance) P-C4' energy: -60.239
flat angles C4'-P-C4' energy: -69.716
flat angles P-C4'-P energy: -45.252
tors. eta vs tors. theta energy: -91.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -957.129948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.129948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.129948 (E_RNA)
where:
Base-Base interactions energy: -653.005
where: short stacking energy: -275.267
Base-Backbone interact. energy: 0.853
local terms energy: -304.977725
where:
bonds (distance) C4'-P energy: -59.205
bonds (distance) P-C4' energy: -67.967
flat angles C4'-P-C4' energy: -55.137
flat angles P-C4'-P energy: -42.214
tors. eta vs tors. theta energy: -80.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -939.854335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.854335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.854335 (E_RNA)
where:
Base-Base interactions energy: -649.750
where: short stacking energy: -283.219
Base-Backbone interact. energy: -1.354
local terms energy: -288.750429
where:
bonds (distance) C4'-P energy: -51.905
bonds (distance) P-C4' energy: -52.762
flat angles C4'-P-C4' energy: -68.013
flat angles P-C4'-P energy: -35.648
tors. eta vs tors. theta energy: -80.423
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: 9
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -776.904284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.904284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.904284 (E_RNA)
where:
Base-Base interactions energy: -521.944
where: short stacking energy: -230.543
Base-Backbone interact. energy: -0.843
local terms energy: -254.116881
where:
bonds (distance) C4'-P energy: -50.187
bonds (distance) P-C4' energy: -47.882
flat angles C4'-P-C4' energy: -68.018
flat angles P-C4'-P energy: -32.184
tors. eta vs tors. theta energy: -55.845
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: 8, replica: 6
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -717.835595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.835595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.835595 (E_RNA)
where:
Base-Base interactions energy: -464.714
where: short stacking energy: -212.616
Base-Backbone interact. energy: 0.653
local terms energy: -253.774341
where:
bonds (distance) C4'-P energy: -47.990
bonds (distance) P-C4' energy: -56.450
flat angles C4'-P-C4' energy: -74.825
flat angles P-C4'-P energy: -32.375
tors. eta vs tors. theta energy: -42.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -367.715955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.715955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.715955 (E_RNA)
where:
Base-Base interactions energy: -153.277
where: short stacking energy: -101.452
Base-Backbone interact. energy: 0.493
local terms energy: -214.932554
where:
bonds (distance) C4'-P energy: -46.375
bonds (distance) P-C4' energy: -54.561
flat angles C4'-P-C4' energy: -61.755
flat angles P-C4'-P energy: -31.515
tors. eta vs tors. theta energy: -20.725
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: 328
Temperature: 1.350000
Total energy: -448.872501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.872501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.872501 (E_RNA)
where:
Base-Base interactions energy: -220.842
where: short stacking energy: -119.601
Base-Backbone interact. energy: -0.507
local terms energy: -227.523703
where:
bonds (distance) C4'-P energy: -56.266
bonds (distance) P-C4' energy: -57.422
flat angles C4'-P-C4' energy: -59.287
flat angles P-C4'-P energy: -45.062
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: 1, replica: 1
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -1200.650205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.650205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.650205 (E_RNA)
where:
Base-Base interactions energy: -814.014
where: short stacking energy: -365.367
Base-Backbone interact. energy: -1.136
local terms energy: -385.500875
where:
bonds (distance) C4'-P energy: -71.415
bonds (distance) P-C4' energy: -68.734
flat angles C4'-P-C4' energy: -73.755
flat angles P-C4'-P energy: -56.538
tors. eta vs tors. theta energy: -115.059
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: 8
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -1140.194097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.194097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.194097 (E_RNA)
where:
Base-Base interactions energy: -818.495
where: short stacking energy: -337.017
Base-Backbone interact. energy: 0.141
local terms energy: -321.840200
where:
bonds (distance) C4'-P energy: -64.169
bonds (distance) P-C4' energy: -49.440
flat angles C4'-P-C4' energy: -71.699
flat angles P-C4'-P energy: -46.158
tors. eta vs tors. theta energy: -90.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -1100.992119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.992119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.992119 (E_RNA)
where:
Base-Base interactions energy: -764.559
where: short stacking energy: -346.377
Base-Backbone interact. energy: -0.610
local terms energy: -335.823351
where:
bonds (distance) C4'-P energy: -53.532
bonds (distance) P-C4' energy: -66.644
flat angles C4'-P-C4' energy: -67.754
flat angles P-C4'-P energy: -47.099
tors. eta vs tors. theta energy: -100.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -1044.008293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.008293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.008293 (E_RNA)
where:
Base-Base interactions energy: -718.195
where: short stacking energy: -289.088
Base-Backbone interact. energy: -0.804
local terms energy: -325.008728
where:
bonds (distance) C4'-P energy: -55.820
bonds (distance) P-C4' energy: -68.594
flat angles C4'-P-C4' energy: -73.099
flat angles P-C4'-P energy: -47.059
tors. eta vs tors. theta energy: -80.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -1003.815496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.815496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.815496 (E_RNA)
where:
Base-Base interactions energy: -687.047
where: short stacking energy: -305.401
Base-Backbone interact. energy: -2.510
local terms energy: -314.258402
where:
bonds (distance) C4'-P energy: -53.496
bonds (distance) P-C4' energy: -58.548
flat angles C4'-P-C4' energy: -64.917
flat angles P-C4'-P energy: -42.509
tors. eta vs tors. theta energy: -94.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -956.066647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.066647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.066647 (E_RNA)
where:
Base-Base interactions energy: -647.925
where: short stacking energy: -280.767
Base-Backbone interact. energy: -0.447
local terms energy: -307.694518
where:
bonds (distance) C4'-P energy: -53.071
bonds (distance) P-C4' energy: -62.870
flat angles C4'-P-C4' energy: -62.266
flat angles P-C4'-P energy: -49.305
tors. eta vs tors. theta energy: -80.182
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: 7, replica: 9
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -779.587808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.587808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.587808 (E_RNA)
where:
Base-Base interactions energy: -498.694
where: short stacking energy: -239.533
Base-Backbone interact. energy: 1.067
local terms energy: -281.960161
where:
bonds (distance) C4'-P energy: -68.591
bonds (distance) P-C4' energy: -52.265
flat angles C4'-P-C4' energy: -66.986
flat angles P-C4'-P energy: -35.409
tors. eta vs tors. theta energy: -58.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -706.779946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.779946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.779946 (E_RNA)
where:
Base-Base interactions energy: -454.381
where: short stacking energy: -195.557
Base-Backbone interact. energy: -1.880
local terms energy: -250.518655
where:
bonds (distance) C4'-P energy: -56.096
bonds (distance) P-C4' energy: -51.036
flat angles C4'-P-C4' energy: -70.813
flat angles P-C4'-P energy: -34.172
tors. eta vs tors. theta energy: -38.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -315.556785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.556785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.556785 (E_RNA)
where:
Base-Base interactions energy: -132.279
where: short stacking energy: -110.973
Base-Backbone interact. energy: 0.632
local terms energy: -183.910038
where:
bonds (distance) C4'-P energy: -36.812
bonds (distance) P-C4' energy: -65.385
flat angles C4'-P-C4' energy: -39.500
flat angles P-C4'-P energy: -40.737
tors. eta vs tors. theta energy: -1.476
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: 10, replica: 5
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -453.928313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.928313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.928313 (E_RNA)
where:
Base-Base interactions energy: -230.406
where: short stacking energy: -132.814
Base-Backbone interact. energy: -0.631
local terms energy: -222.891453
where:
bonds (distance) C4'-P energy: -55.927
bonds (distance) P-C4' energy: -68.244
flat angles C4'-P-C4' energy: -55.298
flat angles P-C4'-P energy: -25.336
tors. eta vs tors. theta energy: -18.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -1188.309582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.309582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.309582 (E_RNA)
where:
Base-Base interactions energy: -826.584
where: short stacking energy: -368.543
Base-Backbone interact. energy: -0.882
local terms energy: -360.843791
where:
bonds (distance) C4'-P energy: -64.962
bonds (distance) P-C4' energy: -58.667
flat angles C4'-P-C4' energy: -70.432
flat angles P-C4'-P energy: -52.024
tors. eta vs tors. theta energy: -114.758
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: 8
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -1127.543449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.543449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.543449 (E_RNA)
where:
Base-Base interactions energy: -785.251
where: short stacking energy: -316.146
Base-Backbone interact. energy: -1.189
local terms energy: -341.103650
where:
bonds (distance) C4'-P energy: -63.845
bonds (distance) P-C4' energy: -68.544
flat angles C4'-P-C4' energy: -68.175
flat angles P-C4'-P energy: -52.809
tors. eta vs tors. theta energy: -87.730
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: 3, replica: 2
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -1094.596262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.596262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.596262 (E_RNA)
where:
Base-Base interactions energy: -752.232
where: short stacking energy: -312.780
Base-Backbone interact. energy: -1.377
local terms energy: -340.987312
where:
bonds (distance) C4'-P energy: -63.702
bonds (distance) P-C4' energy: -69.902
flat angles C4'-P-C4' energy: -65.317
flat angles P-C4'-P energy: -44.426
tors. eta vs tors. theta energy: -97.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -1044.765625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.765625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.765625 (E_RNA)
where:
Base-Base interactions energy: -710.198
where: short stacking energy: -310.463
Base-Backbone interact. energy: -0.684
local terms energy: -333.883569
where:
bonds (distance) C4'-P energy: -62.508
bonds (distance) P-C4' energy: -66.772
flat angles C4'-P-C4' energy: -71.010
flat angles P-C4'-P energy: -45.105
tors. eta vs tors. theta energy: -88.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -1002.733715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.733715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.733715 (E_RNA)
where:
Base-Base interactions energy: -692.077
where: short stacking energy: -301.946
Base-Backbone interact. energy: -0.367
local terms energy: -310.290120
where:
bonds (distance) C4'-P energy: -58.941
bonds (distance) P-C4' energy: -52.720
flat angles C4'-P-C4' energy: -72.157
flat angles P-C4'-P energy: -34.377
tors. eta vs tors. theta energy: -92.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -969.643871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.643871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.643871 (E_RNA)
where:
Base-Base interactions energy: -654.195
where: short stacking energy: -301.446
Base-Backbone interact. energy: -0.595
local terms energy: -314.854107
where:
bonds (distance) C4'-P energy: -62.148
bonds (distance) P-C4' energy: -58.714
flat angles C4'-P-C4' energy: -66.799
flat angles P-C4'-P energy: -47.079
tors. eta vs tors. theta energy: -80.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -839.153589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.153589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.153589 (E_RNA)
where:
Base-Base interactions energy: -556.179
where: short stacking energy: -269.170
Base-Backbone interact. energy: -0.818
local terms energy: -282.156436
where:
bonds (distance) C4'-P energy: -59.698
bonds (distance) P-C4' energy: -55.102
flat angles C4'-P-C4' energy: -61.135
flat angles P-C4'-P energy: -39.786
tors. eta vs tors. theta energy: -66.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -730.969010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.969010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.969010 (E_RNA)
where:
Base-Base interactions energy: -498.320
where: short stacking energy: -215.460
Base-Backbone interact. energy: 5.207
local terms energy: -237.855620
where:
bonds (distance) C4'-P energy: -46.811
bonds (distance) P-C4' energy: -45.530
flat angles C4'-P-C4' energy: -48.104
flat angles P-C4'-P energy: -46.499
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: 9, replica: 5
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -437.262235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.262235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.262235 (E_RNA)
where:
Base-Base interactions energy: -252.019
where: short stacking energy: -151.871
Base-Backbone interact. energy: 0.529
local terms energy: -185.772670
where:
bonds (distance) C4'-P energy: -46.660
bonds (distance) P-C4' energy: -47.678
flat angles C4'-P-C4' energy: -43.079
flat angles P-C4'-P energy: -27.854
tors. eta vs tors. theta energy: -20.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -336.267113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.267113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.267113 (E_RNA)
where:
Base-Base interactions energy: -132.005
where: short stacking energy: -89.251
Base-Backbone interact. energy: 1.407
local terms energy: -205.668851
where:
bonds (distance) C4'-P energy: -66.971
bonds (distance) P-C4' energy: -65.228
flat angles C4'-P-C4' energy: -55.795
flat angles P-C4'-P energy: -30.159
tors. eta vs tors. theta energy: 12.484
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: 1
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -1197.993832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.993832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.993832 (E_RNA)
where:
Base-Base interactions energy: -823.389
where: short stacking energy: -363.988
Base-Backbone interact. energy: -0.197
local terms energy: -374.408033
where:
bonds (distance) C4'-P energy: -65.423
bonds (distance) P-C4' energy: -65.861
flat angles C4'-P-C4' energy: -77.641
flat angles P-C4'-P energy: -49.922
tors. eta vs tors. theta energy: -115.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -1125.939961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.939961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.939961 (E_RNA)
where:
Base-Base interactions energy: -776.354
where: short stacking energy: -319.926
Base-Backbone interact. energy: -0.817
local terms energy: -348.769434
where:
bonds (distance) C4'-P energy: -69.873
bonds (distance) P-C4' energy: -71.506
flat angles C4'-P-C4' energy: -66.580
flat angles P-C4'-P energy: -45.674
tors. eta vs tors. theta energy: -95.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -1106.653420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.653420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.653420 (E_RNA)
where:
Base-Base interactions energy: -755.830
where: short stacking energy: -346.509
Base-Backbone interact. energy: 0.787
local terms energy: -351.610973
where:
bonds (distance) C4'-P energy: -63.393
bonds (distance) P-C4' energy: -58.055
flat angles C4'-P-C4' energy: -77.018
flat angles P-C4'-P energy: -54.417
tors. eta vs tors. theta energy: -98.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -1052.194124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.194124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.194124 (E_RNA)
where:
Base-Base interactions energy: -723.457
where: short stacking energy: -320.935
Base-Backbone interact. energy: -2.696
local terms energy: -326.042031
where:
bonds (distance) C4'-P energy: -62.357
bonds (distance) P-C4' energy: -59.536
flat angles C4'-P-C4' energy: -69.587
flat angles P-C4'-P energy: -41.943
tors. eta vs tors. theta energy: -92.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -1016.817962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.817962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.817962 (E_RNA)
where:
Base-Base interactions energy: -694.179
where: short stacking energy: -307.799
Base-Backbone interact. energy: -0.414
local terms energy: -322.225595
where:
bonds (distance) C4'-P energy: -60.425
bonds (distance) P-C4' energy: -55.111
flat angles C4'-P-C4' energy: -73.053
flat angles P-C4'-P energy: -43.479
tors. eta vs tors. theta energy: -90.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -938.159476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.159476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.159476 (E_RNA)
where:
Base-Base interactions energy: -650.031
where: short stacking energy: -271.106
Base-Backbone interact. energy: 0.749
local terms energy: -288.877249
where:
bonds (distance) C4'-P energy: -55.147
bonds (distance) P-C4' energy: -60.661
flat angles C4'-P-C4' energy: -56.742
flat angles P-C4'-P energy: -40.348
tors. eta vs tors. theta energy: -75.979
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: 9
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -817.049958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.049958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.049958 (E_RNA)
where:
Base-Base interactions energy: -540.663
where: short stacking energy: -232.030
Base-Backbone interact. energy: 0.072
local terms energy: -276.458941
where:
bonds (distance) C4'-P energy: -60.913
bonds (distance) P-C4' energy: -56.037
flat angles C4'-P-C4' energy: -62.482
flat angles P-C4'-P energy: -36.091
tors. eta vs tors. theta energy: -60.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -710.734803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.734803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.734803 (E_RNA)
where:
Base-Base interactions energy: -473.251
where: short stacking energy: -200.645
Base-Backbone interact. energy: -1.464
local terms energy: -236.020108
where:
bonds (distance) C4'-P energy: -53.741
bonds (distance) P-C4' energy: -54.794
flat angles C4'-P-C4' energy: -44.349
flat angles P-C4'-P energy: -35.122
tors. eta vs tors. theta energy: -48.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -464.766791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.766791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.766791 (E_RNA)
where:
Base-Base interactions energy: -252.099
where: short stacking energy: -157.188
Base-Backbone interact. energy: -1.175
local terms energy: -211.492691
where:
bonds (distance) C4'-P energy: -57.090
bonds (distance) P-C4' energy: -55.791
flat angles C4'-P-C4' energy: -48.709
flat angles P-C4'-P energy: -29.776
tors. eta vs tors. theta energy: -20.127
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: 7
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -276.695660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.695660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.695660 (E_RNA)
where:
Base-Base interactions energy: -136.524
where: short stacking energy: -92.946
Base-Backbone interact. energy: -1.523
local terms energy: -138.648488
where:
bonds (distance) C4'-P energy: -38.241
bonds (distance) P-C4' energy: -44.099
flat angles C4'-P-C4' energy: -46.651
flat angles P-C4'-P energy: -25.026
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: 1, replica: 1
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -1184.340394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.340394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.340394 (E_RNA)
where:
Base-Base interactions energy: -812.673
where: short stacking energy: -357.761
Base-Backbone interact. energy: -0.519
local terms energy: -371.148381
where:
bonds (distance) C4'-P energy: -70.577
bonds (distance) P-C4' energy: -70.743
flat angles C4'-P-C4' energy: -66.707
flat angles P-C4'-P energy: -54.151
tors. eta vs tors. theta energy: -108.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -1136.907655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.907655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.907655 (E_RNA)
where:
Base-Base interactions energy: -796.912
where: short stacking energy: -319.888
Base-Backbone interact. energy: -1.231
local terms energy: -338.764642
where:
bonds (distance) C4'-P energy: -53.924
bonds (distance) P-C4' energy: -61.084
flat angles C4'-P-C4' energy: -79.801
flat angles P-C4'-P energy: -50.130
tors. eta vs tors. theta energy: -93.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -1066.420299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.420299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.420299 (E_RNA)
where:
Base-Base interactions energy: -710.917
where: short stacking energy: -323.771
Base-Backbone interact. energy: -2.699
local terms energy: -352.804426
where:
bonds (distance) C4'-P energy: -58.999
bonds (distance) P-C4' energy: -72.524
flat angles C4'-P-C4' energy: -73.187
flat angles P-C4'-P energy: -51.289
tors. eta vs tors. theta energy: -96.806
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: 2
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -1072.168665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.168665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.168665 (E_RNA)
where:
Base-Base interactions energy: -749.260
where: short stacking energy: -318.457
Base-Backbone interact. energy: 0.836
local terms energy: -323.744767
where:
bonds (distance) C4'-P energy: -54.597
bonds (distance) P-C4' energy: -63.477
flat angles C4'-P-C4' energy: -67.047
flat angles P-C4'-P energy: -51.504
tors. eta vs tors. theta energy: -87.118
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: 332
Temperature: 1.100000
Total energy: -1011.701393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.701393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.701393 (E_RNA)
where:
Base-Base interactions energy: -690.192
where: short stacking energy: -297.521
Base-Backbone interact. energy: -1.003
local terms energy: -320.505741
where:
bonds (distance) C4'-P energy: -64.312
bonds (distance) P-C4' energy: -59.678
flat angles C4'-P-C4' energy: -68.070
flat angles P-C4'-P energy: -41.474
tors. eta vs tors. theta energy: -86.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -947.098965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.098965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.098965 (E_RNA)
where:
Base-Base interactions energy: -639.936
where: short stacking energy: -290.000
Base-Backbone interact. energy: 1.746
local terms energy: -308.908537
where:
bonds (distance) C4'-P energy: -56.433
bonds (distance) P-C4' energy: -56.486
flat angles C4'-P-C4' energy: -67.881
flat angles P-C4'-P energy: -46.393
tors. eta vs tors. theta energy: -81.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -823.007891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.007891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.007891 (E_RNA)
where:
Base-Base interactions energy: -562.272
where: short stacking energy: -253.800
Base-Backbone interact. energy: -1.136
local terms energy: -259.599519
where:
bonds (distance) C4'-P energy: -53.177
bonds (distance) P-C4' energy: -59.504
flat angles C4'-P-C4' energy: -49.779
flat angles P-C4'-P energy: -35.107
tors. eta vs tors. theta energy: -62.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -693.122072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.122072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.122072 (E_RNA)
where:
Base-Base interactions energy: -458.729
where: short stacking energy: -189.900
Base-Backbone interact. energy: -1.177
local terms energy: -233.216314
where:
bonds (distance) C4'-P energy: -55.399
bonds (distance) P-C4' energy: -59.730
flat angles C4'-P-C4' energy: -56.969
flat angles P-C4'-P energy: -20.748
tors. eta vs tors. theta energy: -40.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -458.103412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.103412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.103412 (E_RNA)
where:
Base-Base interactions energy: -251.601
where: short stacking energy: -153.278
Base-Backbone interact. energy: 1.754
local terms energy: -208.256776
where:
bonds (distance) C4'-P energy: -45.999
bonds (distance) P-C4' energy: -66.273
flat angles C4'-P-C4' energy: -46.843
flat angles P-C4'-P energy: -24.753
tors. eta vs tors. theta energy: -24.389
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: 10, replica: 7
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -283.741086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.741086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.741086 (E_RNA)
where:
Base-Base interactions energy: -99.331
where: short stacking energy: -93.493
Base-Backbone interact. energy: -2.103
local terms energy: -182.307497
where:
bonds (distance) C4'-P energy: -57.654
bonds (distance) P-C4' energy: -56.668
flat angles C4'-P-C4' energy: -45.982
flat angles P-C4'-P energy: -35.184
tors. eta vs tors. theta energy: 13.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -1186.673631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.673631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.673631 (E_RNA)
where:
Base-Base interactions energy: -824.668
where: short stacking energy: -366.837
Base-Backbone interact. energy: -0.157
local terms energy: -361.848137
where:
bonds (distance) C4'-P energy: -60.180
bonds (distance) P-C4' energy: -72.853
flat angles C4'-P-C4' energy: -63.417
flat angles P-C4'-P energy: -54.181
tors. eta vs tors. theta energy: -111.217
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: 2, replica: 8
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -1140.785257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.785257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.785257 (E_RNA)
where:
Base-Base interactions energy: -808.734
where: short stacking energy: -324.964
Base-Backbone interact. energy: 0.146
local terms energy: -332.196991
where:
bonds (distance) C4'-P energy: -61.642
bonds (distance) P-C4' energy: -61.846
flat angles C4'-P-C4' energy: -68.684
flat angles P-C4'-P energy: -55.340
tors. eta vs tors. theta energy: -84.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -1096.218237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.218237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.218237 (E_RNA)
where:
Base-Base interactions energy: -755.505
where: short stacking energy: -340.724
Base-Backbone interact. energy: -0.811
local terms energy: -339.901863
where:
bonds (distance) C4'-P energy: -60.960
bonds (distance) P-C4' energy: -67.549
flat angles C4'-P-C4' energy: -72.146
flat angles P-C4'-P energy: -48.673
tors. eta vs tors. theta energy: -90.574
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: 3
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -1026.413201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.413201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.413201 (E_RNA)
where:
Base-Base interactions energy: -701.251
where: short stacking energy: -311.916
Base-Backbone interact. energy: -1.020
local terms energy: -324.141895
where:
bonds (distance) C4'-P energy: -57.149
bonds (distance) P-C4' energy: -59.930
flat angles C4'-P-C4' energy: -67.286
flat angles P-C4'-P energy: -46.416
tors. eta vs tors. theta energy: -93.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -1033.543063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.543063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.543063 (E_RNA)
where:
Base-Base interactions energy: -724.982
where: short stacking energy: -312.443
Base-Backbone interact. energy: -0.746
local terms energy: -307.815179
where:
bonds (distance) C4'-P energy: -62.261
bonds (distance) P-C4' energy: -66.954
flat angles C4'-P-C4' energy: -65.512
flat angles P-C4'-P energy: -24.512
tors. eta vs tors. theta energy: -88.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -959.312508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.312508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.312508 (E_RNA)
where:
Base-Base interactions energy: -646.225
where: short stacking energy: -288.258
Base-Backbone interact. energy: 0.495
local terms energy: -313.582511
where:
bonds (distance) C4'-P energy: -49.967
bonds (distance) P-C4' energy: -59.922
flat angles C4'-P-C4' energy: -71.846
flat angles P-C4'-P energy: -50.727
tors. eta vs tors. theta energy: -81.121
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: 9
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -791.549455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.549455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.549455 (E_RNA)
where:
Base-Base interactions energy: -526.356
where: short stacking energy: -219.029
Base-Backbone interact. energy: -0.778
local terms energy: -264.415515
where:
bonds (distance) C4'-P energy: -54.015
bonds (distance) P-C4' energy: -60.919
flat angles C4'-P-C4' energy: -59.037
flat angles P-C4'-P energy: -37.778
tors. eta vs tors. theta energy: -52.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -699.665945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.665945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.665945 (E_RNA)
where:
Base-Base interactions energy: -455.509
where: short stacking energy: -206.044
Base-Backbone interact. energy: -0.922
local terms energy: -243.234365
where:
bonds (distance) C4'-P energy: -62.587
bonds (distance) P-C4' energy: -62.653
flat angles C4'-P-C4' energy: -47.371
flat angles P-C4'-P energy: -27.319
tors. eta vs tors. theta energy: -43.304
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: 5
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -482.401315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.401315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.401315 (E_RNA)
where:
Base-Base interactions energy: -266.258
where: short stacking energy: -120.157
Base-Backbone interact. energy: 1.045
local terms energy: -217.188725
where:
bonds (distance) C4'-P energy: -51.291
bonds (distance) P-C4' energy: -65.949
flat angles C4'-P-C4' energy: -50.132
flat angles P-C4'-P energy: -35.274
tors. eta vs tors. theta energy: -14.543
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: 7
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -291.534950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.534950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.534950 (E_RNA)
where:
Base-Base interactions energy: -105.865
where: short stacking energy: -63.655
Base-Backbone interact. energy: -4.873
local terms energy: -180.796699
where:
bonds (distance) C4'-P energy: -49.930
bonds (distance) P-C4' energy: -66.436
flat angles C4'-P-C4' energy: -46.593
flat angles P-C4'-P energy: -23.611
tors. eta vs tors. theta energy: 5.772
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: 1, replica: 8
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -1164.353245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.353245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.353245 (E_RNA)
where:
Base-Base interactions energy: -810.003
where: short stacking energy: -335.839
Base-Backbone interact. energy: 0.059
local terms energy: -354.409258
where:
bonds (distance) C4'-P energy: -73.380
bonds (distance) P-C4' energy: -65.020
flat angles C4'-P-C4' energy: -80.693
flat angles P-C4'-P energy: -43.511
tors. eta vs tors. theta energy: -91.804
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: 1
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -1169.447317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.447317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.447317 (E_RNA)
where:
Base-Base interactions energy: -816.608
where: short stacking energy: -369.144
Base-Backbone interact. energy: -0.314
local terms energy: -352.525283
where:
bonds (distance) C4'-P energy: -67.120
bonds (distance) P-C4' energy: -64.121
flat angles C4'-P-C4' energy: -70.885
flat angles P-C4'-P energy: -36.188
tors. eta vs tors. theta energy: -114.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -1076.144668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.144668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.144668 (E_RNA)
where:
Base-Base interactions energy: -748.396
where: short stacking energy: -308.037
Base-Backbone interact. energy: -3.056
local terms energy: -324.693584
where:
bonds (distance) C4'-P energy: -68.124
bonds (distance) P-C4' energy: -56.507
flat angles C4'-P-C4' energy: -66.022
flat angles P-C4'-P energy: -46.182
tors. eta vs tors. theta energy: -87.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -1010.900085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.900085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.900085 (E_RNA)
where:
Base-Base interactions energy: -705.263
where: short stacking energy: -301.128
Base-Backbone interact. energy: -1.227
local terms energy: -304.410248
where:
bonds (distance) C4'-P energy: -64.942
bonds (distance) P-C4' energy: -52.850
flat angles C4'-P-C4' energy: -59.113
flat angles P-C4'-P energy: -41.904
tors. eta vs tors. theta energy: -85.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -981.852784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.852784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.852784 (E_RNA)
where:
Base-Base interactions energy: -672.957
where: short stacking energy: -293.269
Base-Backbone interact. energy: -1.962
local terms energy: -306.933758
where:
bonds (distance) C4'-P energy: -47.325
bonds (distance) P-C4' energy: -64.732
flat angles C4'-P-C4' energy: -61.756
flat angles P-C4'-P energy: -45.828
tors. eta vs tors. theta energy: -87.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -1012.407383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.407383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.407383 (E_RNA)
where:
Base-Base interactions energy: -689.026
where: short stacking energy: -299.108
Base-Backbone interact. energy: -0.893
local terms energy: -322.488958
where:
bonds (distance) C4'-P energy: -61.486
bonds (distance) P-C4' energy: -57.307
flat angles C4'-P-C4' energy: -73.805
flat angles P-C4'-P energy: -43.213
tors. eta vs tors. theta energy: -86.678
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: 7, replica: 9
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -819.614713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.614713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.614713 (E_RNA)
where:
Base-Base interactions energy: -531.088
where: short stacking energy: -237.797
Base-Backbone interact. energy: -1.839
local terms energy: -286.687513
where:
bonds (distance) C4'-P energy: -65.464
bonds (distance) P-C4' energy: -54.746
flat angles C4'-P-C4' energy: -64.359
flat angles P-C4'-P energy: -46.954
tors. eta vs tors. theta energy: -55.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -720.055351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.055351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.055351 (E_RNA)
where:
Base-Base interactions energy: -497.465
where: short stacking energy: -223.058
Base-Backbone interact. energy: -0.077
local terms energy: -222.513669
where:
bonds (distance) C4'-P energy: -47.739
bonds (distance) P-C4' energy: -44.698
flat angles C4'-P-C4' energy: -64.665
flat angles P-C4'-P energy: -28.436
tors. eta vs tors. theta energy: -36.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -473.987780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.987780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.987780 (E_RNA)
where:
Base-Base interactions energy: -230.904
where: short stacking energy: -134.397
Base-Backbone interact. energy: 2.661
local terms energy: -245.744597
where:
bonds (distance) C4'-P energy: -64.850
bonds (distance) P-C4' energy: -63.864
flat angles C4'-P-C4' energy: -48.193
flat angles P-C4'-P energy: -43.564
tors. eta vs tors. theta energy: -25.273
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: 7
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -289.091338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.091338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.091338 (E_RNA)
where:
Base-Base interactions energy: -110.920
where: short stacking energy: -94.169
Base-Backbone interact. energy: 1.139
local terms energy: -179.310537
where:
bonds (distance) C4'-P energy: -52.865
bonds (distance) P-C4' energy: -52.467
flat angles C4'-P-C4' energy: -47.538
flat angles P-C4'-P energy: -28.667
tors. eta vs tors. theta energy: 2.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -1157.662262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.662262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.662262 (E_RNA)
where:
Base-Base interactions energy: -812.875
where: short stacking energy: -333.524
Base-Backbone interact. energy: -2.277
local terms energy: -342.510340
where:
bonds (distance) C4'-P energy: -69.771
bonds (distance) P-C4' energy: -64.647
flat angles C4'-P-C4' energy: -72.853
flat angles P-C4'-P energy: -50.267
tors. eta vs tors. theta energy: -84.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -1162.328170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.328170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.328170 (E_RNA)
where:
Base-Base interactions energy: -797.009
where: short stacking energy: -348.549
Base-Backbone interact. energy: -0.359
local terms energy: -364.959617
where:
bonds (distance) C4'-P energy: -57.774
bonds (distance) P-C4' energy: -72.377
flat angles C4'-P-C4' energy: -75.596
flat angles P-C4'-P energy: -48.820
tors. eta vs tors. theta energy: -110.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -1085.135975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.135975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.135975 (E_RNA)
where:
Base-Base interactions energy: -746.650
where: short stacking energy: -321.264
Base-Backbone interact. energy: -1.254
local terms energy: -337.231874
where:
bonds (distance) C4'-P energy: -59.764
bonds (distance) P-C4' energy: -60.274
flat angles C4'-P-C4' energy: -71.740
flat angles P-C4'-P energy: -53.614
tors. eta vs tors. theta energy: -91.841
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: 3
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -1036.856208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.856208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.856208 (E_RNA)
where:
Base-Base interactions energy: -688.184
where: short stacking energy: -300.743
Base-Backbone interact. energy: -0.882
local terms energy: -347.790623
where:
bonds (distance) C4'-P energy: -66.560
bonds (distance) P-C4' energy: -65.301
flat angles C4'-P-C4' energy: -69.586
flat angles P-C4'-P energy: -55.123
tors. eta vs tors. theta energy: -91.221
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: 4
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -975.850768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.850768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.850768 (E_RNA)
where:
Base-Base interactions energy: -668.982
where: short stacking energy: -288.059
Base-Backbone interact. energy: 2.727
local terms energy: -309.595945
where:
bonds (distance) C4'-P energy: -47.937
bonds (distance) P-C4' energy: -65.764
flat angles C4'-P-C4' energy: -68.405
flat angles P-C4'-P energy: -47.617
tors. eta vs tors. theta energy: -79.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -992.890182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.890182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.890182 (E_RNA)
where:
Base-Base interactions energy: -691.914
where: short stacking energy: -305.554
Base-Backbone interact. energy: -0.698
local terms energy: -300.278806
where:
bonds (distance) C4'-P energy: -58.450
bonds (distance) P-C4' energy: -58.090
flat angles C4'-P-C4' energy: -50.531
flat angles P-C4'-P energy: -41.912
tors. eta vs tors. theta energy: -91.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -855.403378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.403378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.403378 (E_RNA)
where:
Base-Base interactions energy: -573.414
where: short stacking energy: -273.242
Base-Backbone interact. energy: 1.063
local terms energy: -283.051959
where:
bonds (distance) C4'-P energy: -50.906
bonds (distance) P-C4' energy: -54.258
flat angles C4'-P-C4' energy: -72.628
flat angles P-C4'-P energy: -28.131
tors. eta vs tors. theta energy: -77.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -722.815030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.815030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.815030 (E_RNA)
where:
Base-Base interactions energy: -475.961
where: short stacking energy: -201.412
Base-Backbone interact. energy: -0.697
local terms energy: -246.156688
where:
bonds (distance) C4'-P energy: -47.449
bonds (distance) P-C4' energy: -63.669
flat angles C4'-P-C4' energy: -62.246
flat angles P-C4'-P energy: -33.100
tors. eta vs tors. theta energy: -39.693
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: 5
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -482.456993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.456993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.456993 (E_RNA)
where:
Base-Base interactions energy: -267.411
where: short stacking energy: -131.730
Base-Backbone interact. energy: -0.348
local terms energy: -214.698181
where:
bonds (distance) C4'-P energy: -62.155
bonds (distance) P-C4' energy: -59.332
flat angles C4'-P-C4' energy: -48.124
flat angles P-C4'-P energy: -27.555
tors. eta vs tors. theta energy: -17.531
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: 10, replica: 7
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -288.345408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.345408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.345408 (E_RNA)
where:
Base-Base interactions energy: -115.281
where: short stacking energy: -98.602
Base-Backbone interact. energy: 0.265
local terms energy: -173.329531
where:
bonds (distance) C4'-P energy: -52.647
bonds (distance) P-C4' energy: -46.078
flat angles C4'-P-C4' energy: -45.755
flat angles P-C4'-P energy: -24.313
tors. eta vs tors. theta energy: -4.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -1179.522022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.522022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.522022 (E_RNA)
where:
Base-Base interactions energy: -829.939
where: short stacking energy: -342.008
Base-Backbone interact. energy: -0.350
local terms energy: -349.233234
where:
bonds (distance) C4'-P energy: -60.676
bonds (distance) P-C4' energy: -71.299
flat angles C4'-P-C4' energy: -74.987
flat angles P-C4'-P energy: -51.314
tors. eta vs tors. theta energy: -90.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -1168.605022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.605022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.605022 (E_RNA)
where:
Base-Base interactions energy: -802.959
where: short stacking energy: -359.458
Base-Backbone interact. energy: -0.459
local terms energy: -365.187858
where:
bonds (distance) C4'-P energy: -69.846
bonds (distance) P-C4' energy: -57.868
flat angles C4'-P-C4' energy: -75.139
flat angles P-C4'-P energy: -51.021
tors. eta vs tors. theta energy: -111.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -1042.473795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.473795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.473795 (E_RNA)
where:
Base-Base interactions energy: -710.591
where: short stacking energy: -306.206
Base-Backbone interact. energy: 1.661
local terms energy: -333.543243
where:
bonds (distance) C4'-P energy: -63.210
bonds (distance) P-C4' energy: -64.904
flat angles C4'-P-C4' energy: -69.495
flat angles P-C4'-P energy: -48.306
tors. eta vs tors. theta energy: -87.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -1041.083895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.083895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.083895 (E_RNA)
where:
Base-Base interactions energy: -711.451
where: short stacking energy: -314.370
Base-Backbone interact. energy: -0.086
local terms energy: -329.546651
where:
bonds (distance) C4'-P energy: -49.730
bonds (distance) P-C4' energy: -59.705
flat angles C4'-P-C4' energy: -80.152
flat angles P-C4'-P energy: -39.071
tors. eta vs tors. theta energy: -100.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -1052.620880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.620880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.620880 (E_RNA)
where:
Base-Base interactions energy: -715.625
where: short stacking energy: -317.607
Base-Backbone interact. energy: -0.739
local terms energy: -336.257470
where:
bonds (distance) C4'-P energy: -50.818
bonds (distance) P-C4' energy: -62.520
flat angles C4'-P-C4' energy: -66.423
flat angles P-C4'-P energy: -57.160
tors. eta vs tors. theta energy: -99.337
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: 6, replica: 4
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -959.240192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.240192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.240192 (E_RNA)
where:
Base-Base interactions energy: -658.303
where: short stacking energy: -285.680
Base-Backbone interact. energy: -0.555
local terms energy: -300.381951
where:
bonds (distance) C4'-P energy: -57.144
bonds (distance) P-C4' energy: -69.033
flat angles C4'-P-C4' energy: -60.136
flat angles P-C4'-P energy: -43.463
tors. eta vs tors. theta energy: -70.606
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: 7, replica: 9
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -859.282552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.282552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.282552 (E_RNA)
where:
Base-Base interactions energy: -568.901
where: short stacking energy: -239.574
Base-Backbone interact. energy: -1.591
local terms energy: -288.790425
where:
bonds (distance) C4'-P energy: -49.186
bonds (distance) P-C4' energy: -57.423
flat angles C4'-P-C4' energy: -67.551
flat angles P-C4'-P energy: -47.049
tors. eta vs tors. theta energy: -67.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -707.550122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.550122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.550122 (E_RNA)
where:
Base-Base interactions energy: -466.875
where: short stacking energy: -212.834
Base-Backbone interact. energy: -1.096
local terms energy: -239.579021
where:
bonds (distance) C4'-P energy: -52.527
bonds (distance) P-C4' energy: -52.835
flat angles C4'-P-C4' energy: -51.106
flat angles P-C4'-P energy: -33.462
tors. eta vs tors. theta energy: -49.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -503.325013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.325013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.325013 (E_RNA)
where:
Base-Base interactions energy: -295.951
where: short stacking energy: -134.046
Base-Backbone interact. energy: 0.032
local terms energy: -207.406530
where:
bonds (distance) C4'-P energy: -55.216
bonds (distance) P-C4' energy: -56.206
flat angles C4'-P-C4' energy: -54.079
flat angles P-C4'-P energy: -26.997
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: 10, replica: 7
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -292.454095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.454095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.454095 (E_RNA)
where:
Base-Base interactions energy: -100.974
where: short stacking energy: -90.316
Base-Backbone interact. energy: -0.134
local terms energy: -191.346161
where:
bonds (distance) C4'-P energy: -51.684
bonds (distance) P-C4' energy: -53.043
flat angles C4'-P-C4' energy: -60.145
flat angles P-C4'-P energy: -29.308
tors. eta vs tors. theta energy: 2.833
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: 8
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -1174.257406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.257406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.257406 (E_RNA)
where:
Base-Base interactions energy: -830.735
where: short stacking energy: -343.120
Base-Backbone interact. energy: 1.279
local terms energy: -344.802197
where:
bonds (distance) C4'-P energy: -63.023
bonds (distance) P-C4' energy: -72.711
flat angles C4'-P-C4' energy: -72.464
flat angles P-C4'-P energy: -45.790
tors. eta vs tors. theta energy: -90.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -1146.932937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.932937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.932937 (E_RNA)
where:
Base-Base interactions energy: -789.749
where: short stacking energy: -360.467
Base-Backbone interact. energy: 1.065
local terms energy: -358.249366
where:
bonds (distance) C4'-P energy: -65.193
bonds (distance) P-C4' energy: -61.974
flat angles C4'-P-C4' energy: -71.206
flat angles P-C4'-P energy: -52.171
tors. eta vs tors. theta energy: -107.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -1047.636507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.636507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.636507 (E_RNA)
where:
Base-Base interactions energy: -702.182
where: short stacking energy: -298.321
Base-Backbone interact. energy: -0.955
local terms energy: -344.499257
where:
bonds (distance) C4'-P energy: -69.716
bonds (distance) P-C4' energy: -60.632
flat angles C4'-P-C4' energy: -78.609
flat angles P-C4'-P energy: -52.679
tors. eta vs tors. theta energy: -82.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -1083.353000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.353000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.353000 (E_RNA)
where:
Base-Base interactions energy: -737.326
where: short stacking energy: -322.357
Base-Backbone interact. energy: -0.853
local terms energy: -345.173703
where:
bonds (distance) C4'-P energy: -57.668
bonds (distance) P-C4' energy: -62.783
flat angles C4'-P-C4' energy: -77.169
flat angles P-C4'-P energy: -48.784
tors. eta vs tors. theta energy: -98.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -1018.209045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.209045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.209045 (E_RNA)
where:
Base-Base interactions energy: -703.259
where: short stacking energy: -308.648
Base-Backbone interact. energy: -2.115
local terms energy: -312.834357
where:
bonds (distance) C4'-P energy: -47.198
bonds (distance) P-C4' energy: -61.721
flat angles C4'-P-C4' energy: -72.432
flat angles P-C4'-P energy: -42.910
tors. eta vs tors. theta energy: -88.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -951.777339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.777339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.777339 (E_RNA)
where:
Base-Base interactions energy: -649.336
where: short stacking energy: -287.378
Base-Backbone interact. energy: 0.865
local terms energy: -303.306922
where:
bonds (distance) C4'-P energy: -57.608
bonds (distance) P-C4' energy: -53.530
flat angles C4'-P-C4' energy: -68.595
flat angles P-C4'-P energy: -42.568
tors. eta vs tors. theta energy: -81.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -843.077400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.077400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.077400 (E_RNA)
where:
Base-Base interactions energy: -567.697
where: short stacking energy: -234.242
Base-Backbone interact. energy: -1.904
local terms energy: -273.476207
where:
bonds (distance) C4'-P energy: -55.740
bonds (distance) P-C4' energy: -58.095
flat angles C4'-P-C4' energy: -56.436
flat angles P-C4'-P energy: -44.738
tors. eta vs tors. theta energy: -58.468
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: 6
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -744.642944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.642944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.642944 (E_RNA)
where:
Base-Base interactions energy: -480.646
where: short stacking energy: -193.596
Base-Backbone interact. energy: -2.547
local terms energy: -261.449568
where:
bonds (distance) C4'-P energy: -58.174
bonds (distance) P-C4' energy: -65.814
flat angles C4'-P-C4' energy: -53.920
flat angles P-C4'-P energy: -36.969
tors. eta vs tors. theta energy: -46.572
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: 5
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -476.159260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.159260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.159260 (E_RNA)
where:
Base-Base interactions energy: -254.812
where: short stacking energy: -137.624
Base-Backbone interact. energy: -0.186
local terms energy: -221.161078
where:
bonds (distance) C4'-P energy: -65.791
bonds (distance) P-C4' energy: -56.549
flat angles C4'-P-C4' energy: -52.246
flat angles P-C4'-P energy: -23.341
tors. eta vs tors. theta energy: -23.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -289.735085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.735085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.735085 (E_RNA)
where:
Base-Base interactions energy: -116.831
where: short stacking energy: -85.407
Base-Backbone interact. energy: -0.657
local terms energy: -172.247587
where:
bonds (distance) C4'-P energy: -50.581
bonds (distance) P-C4' energy: -55.568
flat angles C4'-P-C4' energy: -53.642
flat angles P-C4'-P energy: -22.836
tors. eta vs tors. theta energy: 10.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -1159.544274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.544274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.544274 (E_RNA)
where:
Base-Base interactions energy: -825.123
where: short stacking energy: -345.351
Base-Backbone interact. energy: 1.067
local terms energy: -335.488440
where:
bonds (distance) C4'-P energy: -59.319
bonds (distance) P-C4' energy: -67.209
flat angles C4'-P-C4' energy: -72.529
flat angles P-C4'-P energy: -43.158
tors. eta vs tors. theta energy: -93.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -1155.836236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.836236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.836236 (E_RNA)
where:
Base-Base interactions energy: -782.784
where: short stacking energy: -352.816
Base-Backbone interact. energy: -0.105
local terms energy: -372.946768
where:
bonds (distance) C4'-P energy: -67.534
bonds (distance) P-C4' energy: -66.944
flat angles C4'-P-C4' energy: -74.074
flat angles P-C4'-P energy: -56.064
tors. eta vs tors. theta energy: -108.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -1058.802995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.802995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.802995 (E_RNA)
where:
Base-Base interactions energy: -726.239
where: short stacking energy: -320.035
Base-Backbone interact. energy: -0.943
local terms energy: -331.620787
where:
bonds (distance) C4'-P energy: -50.011
bonds (distance) P-C4' energy: -72.229
flat angles C4'-P-C4' energy: -64.946
flat angles P-C4'-P energy: -48.975
tors. eta vs tors. theta energy: -95.460
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: 2
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -1058.597645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.597645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.597645 (E_RNA)
where:
Base-Base interactions energy: -742.960
where: short stacking energy: -323.970
Base-Backbone interact. energy: -1.207
local terms energy: -314.431043
where:
bonds (distance) C4'-P energy: -49.110
bonds (distance) P-C4' energy: -64.222
flat angles C4'-P-C4' energy: -62.889
flat angles P-C4'-P energy: -49.120
tors. eta vs tors. theta energy: -89.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -972.189191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.189191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.189191 (E_RNA)
where:
Base-Base interactions energy: -656.011
where: short stacking energy: -287.468
Base-Backbone interact. energy: -0.995
local terms energy: -315.182992
where:
bonds (distance) C4'-P energy: -66.154
bonds (distance) P-C4' energy: -61.137
flat angles C4'-P-C4' energy: -67.203
flat angles P-C4'-P energy: -41.319
tors. eta vs tors. theta energy: -79.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -974.933803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.933803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.933803 (E_RNA)
where:
Base-Base interactions energy: -669.510
where: short stacking energy: -286.108
Base-Backbone interact. energy: 1.851
local terms energy: -307.274878
where:
bonds (distance) C4'-P energy: -47.572
bonds (distance) P-C4' energy: -61.677
flat angles C4'-P-C4' energy: -75.421
flat angles P-C4'-P energy: -46.918
tors. eta vs tors. theta energy: -75.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -840.397146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.397146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.397146 (E_RNA)
where:
Base-Base interactions energy: -584.708
where: short stacking energy: -258.546
Base-Backbone interact. energy: -0.591
local terms energy: -255.098250
where:
bonds (distance) C4'-P energy: -41.908
bonds (distance) P-C4' energy: -40.807
flat angles C4'-P-C4' energy: -55.144
flat angles P-C4'-P energy: -47.993
tors. eta vs tors. theta energy: -69.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -741.441627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.441627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.441627 (E_RNA)
where:
Base-Base interactions energy: -496.721
where: short stacking energy: -221.543
Base-Backbone interact. energy: -0.307
local terms energy: -244.413642
where:
bonds (distance) C4'-P energy: -51.476
bonds (distance) P-C4' energy: -46.848
flat angles C4'-P-C4' energy: -61.391
flat angles P-C4'-P energy: -34.065
tors. eta vs tors. theta energy: -50.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -447.626748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.626748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.626748 (E_RNA)
where:
Base-Base interactions energy: -243.291
where: short stacking energy: -133.036
Base-Backbone interact. energy: 1.180
local terms energy: -205.515849
where:
bonds (distance) C4'-P energy: -57.490
bonds (distance) P-C4' energy: -45.238
flat angles C4'-P-C4' energy: -45.385
flat angles P-C4'-P energy: -37.697
tors. eta vs tors. theta energy: -19.707
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: 7
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -282.215311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.215311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.215311 (E_RNA)
where:
Base-Base interactions energy: -98.292
where: short stacking energy: -90.463
Base-Backbone interact. energy: -1.168
local terms energy: -182.755768
where:
bonds (distance) C4'-P energy: -64.328
bonds (distance) P-C4' energy: -57.585
flat angles C4'-P-C4' energy: -47.518
flat angles P-C4'-P energy: -18.397
tors. eta vs tors. theta energy: 5.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -1158.055259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.055259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.055259 (E_RNA)
where:
Base-Base interactions energy: -816.281
where: short stacking energy: -347.480
Base-Backbone interact. energy: -1.210
local terms energy: -340.564925
where:
bonds (distance) C4'-P energy: -57.969
bonds (distance) P-C4' energy: -69.251
flat angles C4'-P-C4' energy: -68.854
flat angles P-C4'-P energy: -50.760
tors. eta vs tors. theta energy: -93.731
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: 1
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -1167.123401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.123401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.123401 (E_RNA)
where:
Base-Base interactions energy: -809.837
where: short stacking energy: -364.246
Base-Backbone interact. energy: 2.272
local terms energy: -359.558251
where:
bonds (distance) C4'-P energy: -61.733
bonds (distance) P-C4' energy: -60.814
flat angles C4'-P-C4' energy: -72.349
flat angles P-C4'-P energy: -58.606
tors. eta vs tors. theta energy: -106.056
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: 339
Temperature: 1.000000
Total energy: -1074.479765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.479765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.479765 (E_RNA)
where:
Base-Base interactions energy: -750.116
where: short stacking energy: -337.048
Base-Backbone interact. energy: 1.907
local terms energy: -326.270313
where:
bonds (distance) C4'-P energy: -63.844
bonds (distance) P-C4' energy: -53.880
flat angles C4'-P-C4' energy: -67.628
flat angles P-C4'-P energy: -49.265
tors. eta vs tors. theta energy: -91.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -1053.250470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.250470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.250470 (E_RNA)
where:
Base-Base interactions energy: -723.389
where: short stacking energy: -298.487
Base-Backbone interact. energy: -0.729
local terms energy: -329.132667
where:
bonds (distance) C4'-P energy: -58.357
bonds (distance) P-C4' energy: -65.425
flat angles C4'-P-C4' energy: -73.806
flat angles P-C4'-P energy: -46.825
tors. eta vs tors. theta energy: -84.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -953.100942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.100942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.100942 (E_RNA)
where:
Base-Base interactions energy: -635.999
where: short stacking energy: -283.530
Base-Backbone interact. energy: -0.338
local terms energy: -316.763907
where:
bonds (distance) C4'-P energy: -65.507
bonds (distance) P-C4' energy: -64.785
flat angles C4'-P-C4' energy: -61.145
flat angles P-C4'-P energy: -40.139
tors. eta vs tors. theta energy: -85.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -977.387347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.387347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.387347 (E_RNA)
where:
Base-Base interactions energy: -673.068
where: short stacking energy: -301.992
Base-Backbone interact. energy: -1.374
local terms energy: -302.945106
where:
bonds (distance) C4'-P energy: -51.891
bonds (distance) P-C4' energy: -54.075
flat angles C4'-P-C4' energy: -68.105
flat angles P-C4'-P energy: -40.570
tors. eta vs tors. theta energy: -88.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -881.223519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.223519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.223519 (E_RNA)
where:
Base-Base interactions energy: -609.566
where: short stacking energy: -261.130
Base-Backbone interact. energy: 2.148
local terms energy: -273.805502
where:
bonds (distance) C4'-P energy: -39.277
bonds (distance) P-C4' energy: -65.093
flat angles C4'-P-C4' energy: -56.818
flat angles P-C4'-P energy: -50.791
tors. eta vs tors. theta energy: -61.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -744.380366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.380366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.380366 (E_RNA)
where:
Base-Base interactions energy: -496.110
where: short stacking energy: -213.084
Base-Backbone interact. energy: -1.172
local terms energy: -247.097807
where:
bonds (distance) C4'-P energy: -58.092
bonds (distance) P-C4' energy: -53.619
flat angles C4'-P-C4' energy: -54.035
flat angles P-C4'-P energy: -31.946
tors. eta vs tors. theta energy: -49.406
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: 339
Temperature: 1.300000
Total energy: -441.413767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.413767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.413767 (E_RNA)
where:
Base-Base interactions energy: -254.824
where: short stacking energy: -156.145
Base-Backbone interact. energy: -0.370
local terms energy: -186.219233
where:
bonds (distance) C4'-P energy: -47.559
bonds (distance) P-C4' energy: -43.794
flat angles C4'-P-C4' energy: -51.726
flat angles P-C4'-P energy: -31.793
tors. eta vs tors. theta energy: -11.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -285.351800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.351800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.351800 (E_RNA)
where:
Base-Base interactions energy: -125.133
where: short stacking energy: -99.903
Base-Backbone interact. energy: -0.149
local terms energy: -160.069814
where:
bonds (distance) C4'-P energy: -55.849
bonds (distance) P-C4' energy: -60.649
flat angles C4'-P-C4' energy: -34.508
flat angles P-C4'-P energy: -17.875
tors. eta vs tors. theta energy: 8.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -1186.791909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.791909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.791909 (E_RNA)
where:
Base-Base interactions energy: -827.609
where: short stacking energy: -353.844
Base-Backbone interact. energy: -0.320
local terms energy: -358.862295
where:
bonds (distance) C4'-P energy: -52.565
bonds (distance) P-C4' energy: -70.686
flat angles C4'-P-C4' energy: -77.301
flat angles P-C4'-P energy: -50.831
tors. eta vs tors. theta energy: -107.479
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: 8
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -1147.566398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.566398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.566398 (E_RNA)
where:
Base-Base interactions energy: -807.029
where: short stacking energy: -321.449
Base-Backbone interact. energy: -1.505
local terms energy: -339.032223
where:
bonds (distance) C4'-P energy: -66.588
bonds (distance) P-C4' energy: -67.423
flat angles C4'-P-C4' energy: -68.107
flat angles P-C4'-P energy: -47.077
tors. eta vs tors. theta energy: -89.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -1062.998088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.998088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.998088 (E_RNA)
where:
Base-Base interactions energy: -728.970
where: short stacking energy: -328.897
Base-Backbone interact. energy: -0.267
local terms energy: -333.760968
where:
bonds (distance) C4'-P energy: -63.760
bonds (distance) P-C4' energy: -62.529
flat angles C4'-P-C4' energy: -68.868
flat angles P-C4'-P energy: -49.162
tors. eta vs tors. theta energy: -89.441
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: 2
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -1059.659138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.659138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.659138 (E_RNA)
where:
Base-Base interactions energy: -749.290
where: short stacking energy: -323.974
Base-Backbone interact. energy: 0.564
local terms energy: -310.933793
where:
bonds (distance) C4'-P energy: -48.300
bonds (distance) P-C4' energy: -56.300
flat angles C4'-P-C4' energy: -72.578
flat angles P-C4'-P energy: -47.480
tors. eta vs tors. theta energy: -86.276
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: 5, replica: 4
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -996.105918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.105918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.105918 (E_RNA)
where:
Base-Base interactions energy: -664.563
where: short stacking energy: -291.506
Base-Backbone interact. energy: -1.151
local terms energy: -330.391759
where:
bonds (distance) C4'-P energy: -62.901
bonds (distance) P-C4' energy: -65.397
flat angles C4'-P-C4' energy: -72.303
flat angles P-C4'-P energy: -50.592
tors. eta vs tors. theta energy: -79.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -932.804383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.804383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.804383 (E_RNA)
where:
Base-Base interactions energy: -640.993
where: short stacking energy: -273.031
Base-Backbone interact. energy: -0.923
local terms energy: -290.888376
where:
bonds (distance) C4'-P energy: -54.240
bonds (distance) P-C4' energy: -60.981
flat angles C4'-P-C4' energy: -65.884
flat angles P-C4'-P energy: -38.559
tors. eta vs tors. theta energy: -71.225
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: 9
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -863.481207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.481207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.481207 (E_RNA)
where:
Base-Base interactions energy: -598.953
where: short stacking energy: -269.729
Base-Backbone interact. energy: 0.032
local terms energy: -264.560255
where:
bonds (distance) C4'-P energy: -53.633
bonds (distance) P-C4' energy: -56.621
flat angles C4'-P-C4' energy: -52.510
flat angles P-C4'-P energy: -34.608
tors. eta vs tors. theta energy: -67.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -726.382635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.382635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.382635 (E_RNA)
where:
Base-Base interactions energy: -452.109
where: short stacking energy: -199.625
Base-Backbone interact. energy: -1.063
local terms energy: -273.210013
where:
bonds (distance) C4'-P energy: -59.675
bonds (distance) P-C4' energy: -46.697
flat angles C4'-P-C4' energy: -66.773
flat angles P-C4'-P energy: -48.302
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: 9, replica: 5
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -453.558273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.558273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.558273 (E_RNA)
where:
Base-Base interactions energy: -221.753
where: short stacking energy: -118.339
Base-Backbone interact. energy: -2.227
local terms energy: -229.578993
where:
bonds (distance) C4'-P energy: -54.672
bonds (distance) P-C4' energy: -67.308
flat angles C4'-P-C4' energy: -58.287
flat angles P-C4'-P energy: -35.951
tors. eta vs tors. theta energy: -13.361
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: 7
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -297.536908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.536908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.536908 (E_RNA)
where:
Base-Base interactions energy: -116.004
where: short stacking energy: -89.400
Base-Backbone interact. energy: 3.827
local terms energy: -185.360220
where:
bonds (distance) C4'-P energy: -47.654
bonds (distance) P-C4' energy: -56.298
flat angles C4'-P-C4' energy: -45.230
flat angles P-C4'-P energy: -29.501
tors. eta vs tors. theta energy: -6.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -1190.966869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.966869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.966869 (E_RNA)
where:
Base-Base interactions energy: -836.397
where: short stacking energy: -379.172
Base-Backbone interact. energy: -0.187
local terms energy: -354.382799
where:
bonds (distance) C4'-P energy: -57.189
bonds (distance) P-C4' energy: -69.631
flat angles C4'-P-C4' energy: -74.651
flat angles P-C4'-P energy: -41.880
tors. eta vs tors. theta energy: -111.033
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: 8
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -1147.065847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.065847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.065847 (E_RNA)
where:
Base-Base interactions energy: -813.231
where: short stacking energy: -324.328
Base-Backbone interact. energy: -1.331
local terms energy: -332.504060
where:
bonds (distance) C4'-P energy: -57.909
bonds (distance) P-C4' energy: -73.849
flat angles C4'-P-C4' energy: -71.196
flat angles P-C4'-P energy: -38.892
tors. eta vs tors. theta energy: -90.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -1052.627343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.627343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.627343 (E_RNA)
where:
Base-Base interactions energy: -719.640
where: short stacking energy: -306.124
Base-Backbone interact. energy: -1.344
local terms energy: -331.643241
where:
bonds (distance) C4'-P energy: -66.257
bonds (distance) P-C4' energy: -61.791
flat angles C4'-P-C4' energy: -75.678
flat angles P-C4'-P energy: -46.439
tors. eta vs tors. theta energy: -81.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -1058.482632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.482632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.482632 (E_RNA)
where:
Base-Base interactions energy: -750.126
where: short stacking energy: -325.900
Base-Backbone interact. energy: 0.369
local terms energy: -308.725733
where:
bonds (distance) C4'-P energy: -58.599
bonds (distance) P-C4' energy: -54.749
flat angles C4'-P-C4' energy: -62.036
flat angles P-C4'-P energy: -47.276
tors. eta vs tors. theta energy: -86.066
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: 4
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -923.943806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.943806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.943806 (E_RNA)
where:
Base-Base interactions energy: -615.562
where: short stacking energy: -261.568
Base-Backbone interact. energy: -0.462
local terms energy: -307.918996
where:
bonds (distance) C4'-P energy: -64.384
bonds (distance) P-C4' energy: -61.470
flat angles C4'-P-C4' energy: -63.761
flat angles P-C4'-P energy: -49.320
tors. eta vs tors. theta energy: -68.984
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: 6, replica: 3
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -941.576760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.576760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.576760 (E_RNA)
where:
Base-Base interactions energy: -636.881
where: short stacking energy: -269.235
Base-Backbone interact. energy: 3.010
local terms energy: -307.705886
where:
bonds (distance) C4'-P energy: -60.913
bonds (distance) P-C4' energy: -62.577
flat angles C4'-P-C4' energy: -65.161
flat angles P-C4'-P energy: -38.054
tors. eta vs tors. theta energy: -81.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -886.333426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.333426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.333426 (E_RNA)
where:
Base-Base interactions energy: -606.315
where: short stacking energy: -250.311
Base-Backbone interact. energy: -0.883
local terms energy: -279.135569
where:
bonds (distance) C4'-P energy: -48.992
bonds (distance) P-C4' energy: -57.409
flat angles C4'-P-C4' energy: -67.222
flat angles P-C4'-P energy: -35.582
tors. eta vs tors. theta energy: -69.931
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: 6
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -740.380133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.380133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.380133 (E_RNA)
where:
Base-Base interactions energy: -481.960
where: short stacking energy: -216.410
Base-Backbone interact. energy: -1.099
local terms energy: -257.321635
where:
bonds (distance) C4'-P energy: -56.883
bonds (distance) P-C4' energy: -59.715
flat angles C4'-P-C4' energy: -57.794
flat angles P-C4'-P energy: -40.838
tors. eta vs tors. theta energy: -42.091
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: 9, replica: 5
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -456.467815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.467815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.467815 (E_RNA)
where:
Base-Base interactions energy: -247.074
where: short stacking energy: -138.662
Base-Backbone interact. energy: -0.486
local terms energy: -208.908336
where:
bonds (distance) C4'-P energy: -63.845
bonds (distance) P-C4' energy: -55.123
flat angles C4'-P-C4' energy: -33.356
flat angles P-C4'-P energy: -32.382
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: 10, replica: 7
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -278.355651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.355651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.355651 (E_RNA)
where:
Base-Base interactions energy: -83.016
where: short stacking energy: -82.716
Base-Backbone interact. energy: 2.364
local terms energy: -197.704241
where:
bonds (distance) C4'-P energy: -54.211
bonds (distance) P-C4' energy: -67.404
flat angles C4'-P-C4' energy: -46.521
flat angles P-C4'-P energy: -28.080
tors. eta vs tors. theta energy: -1.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -1173.961652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.961652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.961652 (E_RNA)
where:
Base-Base interactions energy: -802.843
where: short stacking energy: -365.588
Base-Backbone interact. energy: -0.797
local terms energy: -370.321612
where:
bonds (distance) C4'-P energy: -65.881
bonds (distance) P-C4' energy: -69.586
flat angles C4'-P-C4' energy: -76.771
flat angles P-C4'-P energy: -53.909
tors. eta vs tors. theta energy: -104.175
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: 8
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -1130.634895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.634895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.634895 (E_RNA)
where:
Base-Base interactions energy: -809.526
where: short stacking energy: -343.821
Base-Backbone interact. energy: -1.291
local terms energy: -319.818005
where:
bonds (distance) C4'-P energy: -58.885
bonds (distance) P-C4' energy: -59.596
flat angles C4'-P-C4' energy: -68.675
flat angles P-C4'-P energy: -44.119
tors. eta vs tors. theta energy: -88.542
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: 2
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -1074.248864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.248864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.248864 (E_RNA)
where:
Base-Base interactions energy: -740.903
where: short stacking energy: -316.584
Base-Backbone interact. energy: -2.503
local terms energy: -330.842975
where:
bonds (distance) C4'-P energy: -59.857
bonds (distance) P-C4' energy: -55.538
flat angles C4'-P-C4' energy: -67.309
flat angles P-C4'-P energy: -55.151
tors. eta vs tors. theta energy: -92.988
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: 10
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -1033.835861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.835861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.835861 (E_RNA)
where:
Base-Base interactions energy: -732.531
where: short stacking energy: -296.347
Base-Backbone interact. energy: -0.953
local terms energy: -300.351684
where:
bonds (distance) C4'-P energy: -60.065
bonds (distance) P-C4' energy: -54.468
flat angles C4'-P-C4' energy: -68.723
flat angles P-C4'-P energy: -41.482
tors. eta vs tors. theta energy: -75.613
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: 4
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -950.149795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.149795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.149795 (E_RNA)
where:
Base-Base interactions energy: -636.632
where: short stacking energy: -288.385
Base-Backbone interact. energy: -0.852
local terms energy: -312.665981
where:
bonds (distance) C4'-P energy: -61.820
bonds (distance) P-C4' energy: -55.519
flat angles C4'-P-C4' energy: -70.577
flat angles P-C4'-P energy: -42.211
tors. eta vs tors. theta energy: -82.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -909.112345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.112345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.112345 (E_RNA)
where:
Base-Base interactions energy: -625.623
where: short stacking energy: -255.792
Base-Backbone interact. energy: -1.218
local terms energy: -282.271813
where:
bonds (distance) C4'-P energy: -45.860
bonds (distance) P-C4' energy: -67.119
flat angles C4'-P-C4' energy: -64.546
flat angles P-C4'-P energy: -34.267
tors. eta vs tors. theta energy: -70.480
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: 9
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -843.986762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.986762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.986762 (E_RNA)
where:
Base-Base interactions energy: -567.042
where: short stacking energy: -243.120
Base-Backbone interact. energy: -3.360
local terms energy: -273.584451
where:
bonds (distance) C4'-P energy: -60.607
bonds (distance) P-C4' energy: -60.378
flat angles C4'-P-C4' energy: -61.752
flat angles P-C4'-P energy: -35.329
tors. eta vs tors. theta energy: -55.518
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: 8, replica: 6
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -732.059059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.059059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.059059 (E_RNA)
where:
Base-Base interactions energy: -464.533
where: short stacking energy: -210.063
Base-Backbone interact. energy: -0.862
local terms energy: -266.664132
where:
bonds (distance) C4'-P energy: -51.597
bonds (distance) P-C4' energy: -75.910
flat angles C4'-P-C4' energy: -50.115
flat angles P-C4'-P energy: -38.682
tors. eta vs tors. theta energy: -50.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -440.446887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.446887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.446887 (E_RNA)
where:
Base-Base interactions energy: -239.896
where: short stacking energy: -153.429
Base-Backbone interact. energy: -0.832
local terms energy: -199.718986
where:
bonds (distance) C4'-P energy: -46.871
bonds (distance) P-C4' energy: -48.665
flat angles C4'-P-C4' energy: -49.225
flat angles P-C4'-P energy: -28.833
tors. eta vs tors. theta energy: -26.126
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: 10, replica: 7
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -291.009948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.009948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.009948 (E_RNA)
where:
Base-Base interactions energy: -116.591
where: short stacking energy: -86.119
Base-Backbone interact. energy: -0.675
local terms energy: -173.743869
where:
bonds (distance) C4'-P energy: -55.780
bonds (distance) P-C4' energy: -57.697
flat angles C4'-P-C4' energy: -39.017
flat angles P-C4'-P energy: -29.557
tors. eta vs tors. theta energy: 8.308
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: 1
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -1168.513707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.513707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.513707 (E_RNA)
where:
Base-Base interactions energy: -807.060
where: short stacking energy: -359.810
Base-Backbone interact. energy: 0.618
local terms energy: -362.071545
where:
bonds (distance) C4'-P energy: -70.972
bonds (distance) P-C4' energy: -61.231
flat angles C4'-P-C4' energy: -75.653
flat angles P-C4'-P energy: -50.306
tors. eta vs tors. theta energy: -103.910
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: 2
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -1100.371100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.371100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.371100 (E_RNA)
where:
Base-Base interactions energy: -740.701
where: short stacking energy: -320.548
Base-Backbone interact. energy: -0.459
local terms energy: -359.211267
where:
bonds (distance) C4'-P energy: -61.333
bonds (distance) P-C4' energy: -71.884
flat angles C4'-P-C4' energy: -79.843
flat angles P-C4'-P energy: -49.719
tors. eta vs tors. theta energy: -96.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -1107.760193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.760193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.760193 (E_RNA)
where:
Base-Base interactions energy: -787.021
where: short stacking energy: -337.092
Base-Backbone interact. energy: -2.199
local terms energy: -318.539347
where:
bonds (distance) C4'-P energy: -62.038
bonds (distance) P-C4' energy: -54.800
flat angles C4'-P-C4' energy: -58.435
flat angles P-C4'-P energy: -51.732
tors. eta vs tors. theta energy: -91.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -1019.968210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.968210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.968210 (E_RNA)
where:
Base-Base interactions energy: -701.170
where: short stacking energy: -298.077
Base-Backbone interact. energy: -0.687
local terms energy: -318.111564
where:
bonds (distance) C4'-P energy: -55.401
bonds (distance) P-C4' energy: -67.628
flat angles C4'-P-C4' energy: -61.474
flat angles P-C4'-P energy: -50.734
tors. eta vs tors. theta energy: -82.874
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: 4
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -955.085852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.085852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.085852 (E_RNA)
where:
Base-Base interactions energy: -643.260
where: short stacking energy: -297.358
Base-Backbone interact. energy: -0.981
local terms energy: -310.844495
where:
bonds (distance) C4'-P energy: -49.737
bonds (distance) P-C4' energy: -69.286
flat angles C4'-P-C4' energy: -69.739
flat angles P-C4'-P energy: -48.041
tors. eta vs tors. theta energy: -74.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -937.187551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.187551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.187551 (E_RNA)
where:
Base-Base interactions energy: -633.725
where: short stacking energy: -266.414
Base-Backbone interact. energy: -1.044
local terms energy: -302.417905
where:
bonds (distance) C4'-P energy: -52.485
bonds (distance) P-C4' energy: -66.501
flat angles C4'-P-C4' energy: -68.789
flat angles P-C4'-P energy: -39.030
tors. eta vs tors. theta energy: -75.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -845.801087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.801087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.801087 (E_RNA)
where:
Base-Base interactions energy: -568.459
where: short stacking energy: -231.573
Base-Backbone interact. energy: 1.070
local terms energy: -278.411611
where:
bonds (distance) C4'-P energy: -58.578
bonds (distance) P-C4' energy: -45.097
flat angles C4'-P-C4' energy: -71.506
flat angles P-C4'-P energy: -44.843
tors. eta vs tors. theta energy: -58.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -690.875112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.875112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.875112 (E_RNA)
where:
Base-Base interactions energy: -444.149
where: short stacking energy: -194.243
Base-Backbone interact. energy: 0.920
local terms energy: -247.646759
where:
bonds (distance) C4'-P energy: -63.555
bonds (distance) P-C4' energy: -61.279
flat angles C4'-P-C4' energy: -44.298
flat angles P-C4'-P energy: -36.565
tors. eta vs tors. theta energy: -41.951
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: 5
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -469.897380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.897380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.897380 (E_RNA)
where:
Base-Base interactions energy: -236.079
where: short stacking energy: -139.767
Base-Backbone interact. energy: -0.776
local terms energy: -233.042550
where:
bonds (distance) C4'-P energy: -61.544
bonds (distance) P-C4' energy: -65.312
flat angles C4'-P-C4' energy: -58.935
flat angles P-C4'-P energy: -34.395
tors. eta vs tors. theta energy: -12.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -279.437286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.437286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.437286 (E_RNA)
where:
Base-Base interactions energy: -91.108
where: short stacking energy: -81.357
Base-Backbone interact. energy: 1.821
local terms energy: -190.149908
where:
bonds (distance) C4'-P energy: -52.712
bonds (distance) P-C4' energy: -53.747
flat angles C4'-P-C4' energy: -50.358
flat angles P-C4'-P energy: -36.094
tors. eta vs tors. theta energy: 2.760
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: 1
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -1180.526639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.526639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.526639 (E_RNA)
where:
Base-Base interactions energy: -820.605
where: short stacking energy: -365.106
Base-Backbone interact. energy: -0.801
local terms energy: -359.120953
where:
bonds (distance) C4'-P energy: -64.441
bonds (distance) P-C4' energy: -62.891
flat angles C4'-P-C4' energy: -75.723
flat angles P-C4'-P energy: -50.693
tors. eta vs tors. theta energy: -105.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -1098.253215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.253215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.253215 (E_RNA)
where:
Base-Base interactions energy: -745.346
where: short stacking energy: -344.793
Base-Backbone interact. energy: -0.843
local terms energy: -352.064640
where:
bonds (distance) C4'-P energy: -65.765
bonds (distance) P-C4' energy: -58.671
flat angles C4'-P-C4' energy: -74.203
flat angles P-C4'-P energy: -50.543
tors. eta vs tors. theta energy: -102.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -1097.478536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.478536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.478536 (E_RNA)
where:
Base-Base interactions energy: -785.849
where: short stacking energy: -312.225
Base-Backbone interact. energy: -0.155
local terms energy: -311.475194
where:
bonds (distance) C4'-P energy: -54.707
bonds (distance) P-C4' energy: -70.462
flat angles C4'-P-C4' energy: -68.251
flat angles P-C4'-P energy: -39.294
tors. eta vs tors. theta energy: -78.761
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: 10
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -1003.834259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.834259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.834259 (E_RNA)
where:
Base-Base interactions energy: -686.794
where: short stacking energy: -295.880
Base-Backbone interact. energy: -1.771
local terms energy: -315.269595
where:
bonds (distance) C4'-P energy: -52.674
bonds (distance) P-C4' energy: -70.371
flat angles C4'-P-C4' energy: -72.271
flat angles P-C4'-P energy: -43.537
tors. eta vs tors. theta energy: -76.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -973.589826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.589826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.589826 (E_RNA)
where:
Base-Base interactions energy: -660.122
where: short stacking energy: -289.769
Base-Backbone interact. energy: -0.899
local terms energy: -312.568136
where:
bonds (distance) C4'-P energy: -49.724
bonds (distance) P-C4' energy: -64.452
flat angles C4'-P-C4' energy: -64.958
flat angles P-C4'-P energy: -53.838
tors. eta vs tors. theta energy: -79.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -897.161107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.161107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.161107 (E_RNA)
where:
Base-Base interactions energy: -611.683
where: short stacking energy: -258.785
Base-Backbone interact. energy: -1.286
local terms energy: -284.192324
where:
bonds (distance) C4'-P energy: -56.769
bonds (distance) P-C4' energy: -57.942
flat angles C4'-P-C4' energy: -60.473
flat angles P-C4'-P energy: -42.214
tors. eta vs tors. theta energy: -66.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -832.168748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.168748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.168748 (E_RNA)
where:
Base-Base interactions energy: -560.539
where: short stacking energy: -246.082
Base-Backbone interact. energy: -1.431
local terms energy: -270.198991
where:
bonds (distance) C4'-P energy: -60.385
bonds (distance) P-C4' energy: -55.089
flat angles C4'-P-C4' energy: -61.840
flat angles P-C4'-P energy: -33.008
tors. eta vs tors. theta energy: -59.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -698.437367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.437367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.437367 (E_RNA)
where:
Base-Base interactions energy: -447.571
where: short stacking energy: -203.896
Base-Backbone interact. energy: -0.618
local terms energy: -250.248831
where:
bonds (distance) C4'-P energy: -48.498
bonds (distance) P-C4' energy: -66.599
flat angles C4'-P-C4' energy: -58.295
flat angles P-C4'-P energy: -27.636
tors. eta vs tors. theta energy: -49.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -443.678509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.678509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.678509 (E_RNA)
where:
Base-Base interactions energy: -240.525
where: short stacking energy: -115.877
Base-Backbone interact. energy: -0.647
local terms energy: -202.506143
where:
bonds (distance) C4'-P energy: -51.504
bonds (distance) P-C4' energy: -60.035
flat angles C4'-P-C4' energy: -45.440
flat angles P-C4'-P energy: -35.379
tors. eta vs tors. theta energy: -10.149
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: 7
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -275.854575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.854575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.854575 (E_RNA)
where:
Base-Base interactions energy: -103.442
where: short stacking energy: -61.536
Base-Backbone interact. energy: 0.955
local terms energy: -173.367066
where:
bonds (distance) C4'-P energy: -39.944
bonds (distance) P-C4' energy: -63.248
flat angles C4'-P-C4' energy: -52.059
flat angles P-C4'-P energy: -35.581
tors. eta vs tors. theta energy: 17.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -1188.582808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.582808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.582808 (E_RNA)
where:
Base-Base interactions energy: -834.614
where: short stacking energy: -357.950
Base-Backbone interact. energy: -1.011
local terms energy: -352.957817
where:
bonds (distance) C4'-P energy: -55.724
bonds (distance) P-C4' energy: -64.114
flat angles C4'-P-C4' energy: -74.567
flat angles P-C4'-P energy: -49.680
tors. eta vs tors. theta energy: -108.873
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: 8
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -1122.916200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.916200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.916200 (E_RNA)
where:
Base-Base interactions energy: -796.921
where: short stacking energy: -326.864
Base-Backbone interact. energy: 0.017
local terms energy: -326.012764
where:
bonds (distance) C4'-P energy: -60.809
bonds (distance) P-C4' energy: -70.262
flat angles C4'-P-C4' energy: -74.697
flat angles P-C4'-P energy: -40.466
tors. eta vs tors. theta energy: -79.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -1072.998476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.998476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.998476 (E_RNA)
where:
Base-Base interactions energy: -741.364
where: short stacking energy: -324.519
Base-Backbone interact. energy: 3.137
local terms energy: -334.771413
where:
bonds (distance) C4'-P energy: -67.337
bonds (distance) P-C4' energy: -60.151
flat angles C4'-P-C4' energy: -73.612
flat angles P-C4'-P energy: -47.992
tors. eta vs tors. theta energy: -85.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -987.651153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.651153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.651153 (E_RNA)
where:
Base-Base interactions energy: -682.604
where: short stacking energy: -292.949
Base-Backbone interact. energy: -0.293
local terms energy: -304.753954
where:
bonds (distance) C4'-P energy: -67.107
bonds (distance) P-C4' energy: -58.368
flat angles C4'-P-C4' energy: -66.121
flat angles P-C4'-P energy: -42.735
tors. eta vs tors. theta energy: -70.423
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: 4
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -965.709777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.709777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.709777 (E_RNA)
where:
Base-Base interactions energy: -646.946
where: short stacking energy: -291.040
Base-Backbone interact. energy: -3.475
local terms energy: -315.288561
where:
bonds (distance) C4'-P energy: -61.755
bonds (distance) P-C4' energy: -64.893
flat angles C4'-P-C4' energy: -71.680
flat angles P-C4'-P energy: -34.909
tors. eta vs tors. theta energy: -82.052
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: 6, replica: 3
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -925.813545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.813545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.813545 (E_RNA)
where:
Base-Base interactions energy: -627.642
where: short stacking energy: -258.439
Base-Backbone interact. energy: -0.968
local terms energy: -297.203154
where:
bonds (distance) C4'-P energy: -52.001
bonds (distance) P-C4' energy: -59.506
flat angles C4'-P-C4' energy: -74.645
flat angles P-C4'-P energy: -39.172
tors. eta vs tors. theta energy: -71.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -791.878967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.878967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.878967 (E_RNA)
where:
Base-Base interactions energy: -530.056
where: short stacking energy: -220.138
Base-Backbone interact. energy: 1.418
local terms energy: -263.240802
where:
bonds (distance) C4'-P energy: -58.469
bonds (distance) P-C4' energy: -60.182
flat angles C4'-P-C4' energy: -55.432
flat angles P-C4'-P energy: -36.970
tors. eta vs tors. theta energy: -52.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -680.922186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.922186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.922186 (E_RNA)
where:
Base-Base interactions energy: -455.550
where: short stacking energy: -195.537
Base-Backbone interact. energy: -1.514
local terms energy: -223.857281
where:
bonds (distance) C4'-P energy: -45.585
bonds (distance) P-C4' energy: -56.883
flat angles C4'-P-C4' energy: -53.925
flat angles P-C4'-P energy: -34.492
tors. eta vs tors. theta energy: -32.973
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: 5
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -432.093825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.093825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.093825 (E_RNA)
where:
Base-Base interactions energy: -230.502
where: short stacking energy: -117.933
Base-Backbone interact. energy: 2.605
local terms energy: -204.196418
where:
bonds (distance) C4'-P energy: -47.062
bonds (distance) P-C4' energy: -51.037
flat angles C4'-P-C4' energy: -55.859
flat angles P-C4'-P energy: -38.097
tors. eta vs tors. theta energy: -12.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -352.885461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.885461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.885461 (E_RNA)
where:
Base-Base interactions energy: -175.394
where: short stacking energy: -106.818
Base-Backbone interact. energy: -3.626
local terms energy: -173.865349
where:
bonds (distance) C4'-P energy: -49.641
bonds (distance) P-C4' energy: -54.052
flat angles C4'-P-C4' energy: -51.442
flat angles P-C4'-P energy: -14.642
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: 1, replica: 1
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -1203.267769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.267769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.267769 (E_RNA)
where:
Base-Base interactions energy: -838.256
where: short stacking energy: -362.802
Base-Backbone interact. energy: -1.112
local terms energy: -363.899691
where:
bonds (distance) C4'-P energy: -63.438
bonds (distance) P-C4' energy: -68.608
flat angles C4'-P-C4' energy: -72.093
flat angles P-C4'-P energy: -51.813
tors. eta vs tors. theta energy: -107.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -1148.158336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.158336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.158336 (E_RNA)
where:
Base-Base interactions energy: -801.933
where: short stacking energy: -323.574
Base-Backbone interact. energy: -1.628
local terms energy: -344.597074
where:
bonds (distance) C4'-P energy: -66.491
bonds (distance) P-C4' energy: -67.905
flat angles C4'-P-C4' energy: -74.169
flat angles P-C4'-P energy: -48.616
tors. eta vs tors. theta energy: -87.416
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: 2
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -1076.733027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.733027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.733027 (E_RNA)
where:
Base-Base interactions energy: -737.887
where: short stacking energy: -321.192
Base-Backbone interact. energy: -0.636
local terms energy: -338.209572
where:
bonds (distance) C4'-P energy: -56.127
bonds (distance) P-C4' energy: -67.503
flat angles C4'-P-C4' energy: -76.767
flat angles P-C4'-P energy: -46.488
tors. eta vs tors. theta energy: -91.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -1012.413497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.413497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.413497 (E_RNA)
where:
Base-Base interactions energy: -694.514
where: short stacking energy: -290.619
Base-Backbone interact. energy: 0.456
local terms energy: -318.355210
where:
bonds (distance) C4'-P energy: -64.949
bonds (distance) P-C4' energy: -74.113
flat angles C4'-P-C4' energy: -71.042
flat angles P-C4'-P energy: -38.489
tors. eta vs tors. theta energy: -69.763
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: 4
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -974.811057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.811057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.811057 (E_RNA)
where:
Base-Base interactions energy: -651.425
where: short stacking energy: -283.960
Base-Backbone interact. energy: -0.174
local terms energy: -323.212286
where:
bonds (distance) C4'-P energy: -64.292
bonds (distance) P-C4' energy: -61.736
flat angles C4'-P-C4' energy: -71.188
flat angles P-C4'-P energy: -45.797
tors. eta vs tors. theta energy: -80.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -938.514752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.514752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.514752 (E_RNA)
where:
Base-Base interactions energy: -650.295
where: short stacking energy: -289.405
Base-Backbone interact. energy: 0.458
local terms energy: -288.677238
where:
bonds (distance) C4'-P energy: -44.801
bonds (distance) P-C4' energy: -60.043
flat angles C4'-P-C4' energy: -61.725
flat angles P-C4'-P energy: -46.005
tors. eta vs tors. theta energy: -76.102
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: 7, replica: 9
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -785.903192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.903192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.903192 (E_RNA)
where:
Base-Base interactions energy: -528.942
where: short stacking energy: -225.204
Base-Backbone interact. energy: -1.588
local terms energy: -255.372331
where:
bonds (distance) C4'-P energy: -49.884
bonds (distance) P-C4' energy: -57.519
flat angles C4'-P-C4' energy: -60.139
flat angles P-C4'-P energy: -44.140
tors. eta vs tors. theta energy: -43.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -759.571295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.571295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.571295 (E_RNA)
where:
Base-Base interactions energy: -501.326
where: short stacking energy: -203.617
Base-Backbone interact. energy: 0.469
local terms energy: -258.714244
where:
bonds (distance) C4'-P energy: -48.144
bonds (distance) P-C4' energy: -64.730
flat angles C4'-P-C4' energy: -62.214
flat angles P-C4'-P energy: -30.385
tors. eta vs tors. theta energy: -53.241
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: 346
Temperature: 1.300000
Total energy: -438.816112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.816112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.816112 (E_RNA)
where:
Base-Base interactions energy: -242.694
where: short stacking energy: -142.074
Base-Backbone interact. energy: 0.608
local terms energy: -196.730546
where:
bonds (distance) C4'-P energy: -44.702
bonds (distance) P-C4' energy: -61.827
flat angles C4'-P-C4' energy: -58.825
flat angles P-C4'-P energy: -14.826
tors. eta vs tors. theta energy: -16.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -396.170894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.170894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.170894 (E_RNA)
where:
Base-Base interactions energy: -228.933
where: short stacking energy: -136.416
Base-Backbone interact. energy: -2.913
local terms energy: -164.324874
where:
bonds (distance) C4'-P energy: -42.042
bonds (distance) P-C4' energy: -51.024
flat angles C4'-P-C4' energy: -38.262
flat angles P-C4'-P energy: -28.367
tors. eta vs tors. theta energy: -4.630
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: 1
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -1188.369717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.369717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.369717 (E_RNA)
where:
Base-Base interactions energy: -840.398
where: short stacking energy: -361.631
Base-Backbone interact. energy: -1.556
local terms energy: -346.416140
where:
bonds (distance) C4'-P energy: -62.934
bonds (distance) P-C4' energy: -63.874
flat angles C4'-P-C4' energy: -70.809
flat angles P-C4'-P energy: -45.116
tors. eta vs tors. theta energy: -103.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -1146.407463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.407463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.407463 (E_RNA)
where:
Base-Base interactions energy: -807.697
where: short stacking energy: -336.437
Base-Backbone interact. energy: -3.399
local terms energy: -335.310897
where:
bonds (distance) C4'-P energy: -59.895
bonds (distance) P-C4' energy: -62.947
flat angles C4'-P-C4' energy: -72.034
flat angles P-C4'-P energy: -50.100
tors. eta vs tors. theta energy: -90.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -1082.832950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.832950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.832950 (E_RNA)
where:
Base-Base interactions energy: -731.524
where: short stacking energy: -330.580
Base-Backbone interact. energy: -1.654
local terms energy: -349.654067
where:
bonds (distance) C4'-P energy: -61.885
bonds (distance) P-C4' energy: -64.905
flat angles C4'-P-C4' energy: -76.712
flat angles P-C4'-P energy: -56.196
tors. eta vs tors. theta energy: -89.956
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: 10
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -1026.330476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.330476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.330476 (E_RNA)
where:
Base-Base interactions energy: -710.534
where: short stacking energy: -303.875
Base-Backbone interact. energy: 0.642
local terms energy: -316.439083
where:
bonds (distance) C4'-P energy: -58.783
bonds (distance) P-C4' energy: -58.183
flat angles C4'-P-C4' energy: -62.022
flat angles P-C4'-P energy: -52.863
tors. eta vs tors. theta energy: -84.587
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: 4
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -955.813428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.813428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.813428 (E_RNA)
where:
Base-Base interactions energy: -647.770
where: short stacking energy: -276.675
Base-Backbone interact. energy: 5.426
local terms energy: -313.468737
where:
bonds (distance) C4'-P energy: -70.393
bonds (distance) P-C4' energy: -59.224
flat angles C4'-P-C4' energy: -68.286
flat angles P-C4'-P energy: -46.951
tors. eta vs tors. theta energy: -68.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -920.088221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.088221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.088221 (E_RNA)
where:
Base-Base interactions energy: -635.838
where: short stacking energy: -266.921
Base-Backbone interact. energy: -1.712
local terms energy: -282.538199
where:
bonds (distance) C4'-P energy: -50.225
bonds (distance) P-C4' energy: -65.920
flat angles C4'-P-C4' energy: -63.728
flat angles P-C4'-P energy: -33.394
tors. eta vs tors. theta energy: -69.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -848.891425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.891425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.891425 (E_RNA)
where:
Base-Base interactions energy: -584.738
where: short stacking energy: -261.033
Base-Backbone interact. energy: 2.333
local terms energy: -266.486164
where:
bonds (distance) C4'-P energy: -51.019
bonds (distance) P-C4' energy: -55.808
flat angles C4'-P-C4' energy: -54.382
flat angles P-C4'-P energy: -36.601
tors. eta vs tors. theta energy: -68.675
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: 6
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -761.304443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.304443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.304443 (E_RNA)
where:
Base-Base interactions energy: -534.289
where: short stacking energy: -238.742
Base-Backbone interact. energy: -2.135
local terms energy: -224.879864
where:
bonds (distance) C4'-P energy: -38.759
bonds (distance) P-C4' energy: -54.688
flat angles C4'-P-C4' energy: -51.873
flat angles P-C4'-P energy: -26.907
tors. eta vs tors. theta energy: -52.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -438.957615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.957615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.957615 (E_RNA)
where:
Base-Base interactions energy: -245.456
where: short stacking energy: -156.813
Base-Backbone interact. energy: 0.672
local terms energy: -194.173334
where:
bonds (distance) C4'-P energy: -51.396
bonds (distance) P-C4' energy: -56.094
flat angles C4'-P-C4' energy: -43.496
flat angles P-C4'-P energy: -26.713
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: 10, replica: 7
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -444.520181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.520181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.520181 (E_RNA)
where:
Base-Base interactions energy: -247.329
where: short stacking energy: -122.981
Base-Backbone interact. energy: -0.067
local terms energy: -197.123789
where:
bonds (distance) C4'-P energy: -65.525
bonds (distance) P-C4' energy: -53.611
flat angles C4'-P-C4' energy: -45.671
flat angles P-C4'-P energy: -25.496
tors. eta vs tors. theta energy: -6.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -1158.797821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.797821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.797821 (E_RNA)
where:
Base-Base interactions energy: -805.135
where: short stacking energy: -336.872
Base-Backbone interact. energy: -0.128
local terms energy: -353.535324
where:
bonds (distance) C4'-P energy: -66.944
bonds (distance) P-C4' energy: -70.137
flat angles C4'-P-C4' energy: -70.501
flat angles P-C4'-P energy: -52.609
tors. eta vs tors. theta energy: -93.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -1176.905129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.905129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.905129 (E_RNA)
where:
Base-Base interactions energy: -821.068
where: short stacking energy: -369.208
Base-Backbone interact. energy: -0.636
local terms energy: -355.200714
where:
bonds (distance) C4'-P energy: -65.119
bonds (distance) P-C4' energy: -57.936
flat angles C4'-P-C4' energy: -74.066
flat angles P-C4'-P energy: -48.083
tors. eta vs tors. theta energy: -109.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -1114.284039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.284039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.284039 (E_RNA)
where:
Base-Base interactions energy: -763.731
where: short stacking energy: -337.419
Base-Backbone interact. energy: -0.636
local terms energy: -349.917053
where:
bonds (distance) C4'-P energy: -56.317
bonds (distance) P-C4' energy: -66.219
flat angles C4'-P-C4' energy: -78.411
flat angles P-C4'-P energy: -52.702
tors. eta vs tors. theta energy: -96.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -1033.505431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.505431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.505431 (E_RNA)
where:
Base-Base interactions energy: -725.542
where: short stacking energy: -325.220
Base-Backbone interact. energy: -1.047
local terms energy: -306.915956
where:
bonds (distance) C4'-P energy: -50.114
bonds (distance) P-C4' energy: -57.572
flat angles C4'-P-C4' energy: -64.086
flat angles P-C4'-P energy: -46.250
tors. eta vs tors. theta energy: -88.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -956.442952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.442952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.442952 (E_RNA)
where:
Base-Base interactions energy: -651.407
where: short stacking energy: -286.341
Base-Backbone interact. energy: -1.278
local terms energy: -303.758211
where:
bonds (distance) C4'-P energy: -47.938
bonds (distance) P-C4' energy: -65.654
flat angles C4'-P-C4' energy: -62.585
flat angles P-C4'-P energy: -49.183
tors. eta vs tors. theta energy: -78.399
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: 348
Temperature: 1.150000
Total energy: -933.291505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.291505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.291505 (E_RNA)
where:
Base-Base interactions energy: -626.946
where: short stacking energy: -283.461
Base-Backbone interact. energy: 0.284
local terms energy: -306.629866
where:
bonds (distance) C4'-P energy: -56.588
bonds (distance) P-C4' energy: -65.645
flat angles C4'-P-C4' energy: -74.235
flat angles P-C4'-P energy: -34.979
tors. eta vs tors. theta energy: -75.182
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: 7, replica: 9
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -862.298071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.298071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.298071 (E_RNA)
where:
Base-Base interactions energy: -584.650
where: short stacking energy: -250.255
Base-Backbone interact. energy: -2.242
local terms energy: -275.405317
where:
bonds (distance) C4'-P energy: -44.174
bonds (distance) P-C4' energy: -63.563
flat angles C4'-P-C4' energy: -60.653
flat angles P-C4'-P energy: -49.753
tors. eta vs tors. theta energy: -57.262
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: 6
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -756.398369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.398369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.398369 (E_RNA)
where:
Base-Base interactions energy: -483.870
where: short stacking energy: -205.417
Base-Backbone interact. energy: -0.013
local terms energy: -272.515296
where:
bonds (distance) C4'-P energy: -57.470
bonds (distance) P-C4' energy: -58.455
flat angles C4'-P-C4' energy: -60.679
flat angles P-C4'-P energy: -42.480
tors. eta vs tors. theta energy: -53.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -444.252566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.252566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.252566 (E_RNA)
where:
Base-Base interactions energy: -237.875
where: short stacking energy: -132.034
Base-Backbone interact. energy: 0.358
local terms energy: -206.735127
where:
bonds (distance) C4'-P energy: -47.774
bonds (distance) P-C4' energy: -56.516
flat angles C4'-P-C4' energy: -43.511
flat angles P-C4'-P energy: -42.343
tors. eta vs tors. theta energy: -16.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -388.871772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.871772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.871772 (E_RNA)
where:
Base-Base interactions energy: -189.258
where: short stacking energy: -120.650
Base-Backbone interact. energy: -0.611
local terms energy: -199.003443
where:
bonds (distance) C4'-P energy: -35.382
bonds (distance) P-C4' energy: -56.367
flat angles C4'-P-C4' energy: -62.488
flat angles P-C4'-P energy: -34.131
tors. eta vs tors. theta energy: -10.636
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: 1, replica: 8
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -1162.460127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.460127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.460127 (E_RNA)
where:
Base-Base interactions energy: -817.363
where: short stacking energy: -333.465
Base-Backbone interact. energy: -2.173
local terms energy: -342.923737
where:
bonds (distance) C4'-P energy: -62.698
bonds (distance) P-C4' energy: -71.174
flat angles C4'-P-C4' energy: -73.984
flat angles P-C4'-P energy: -47.643
tors. eta vs tors. theta energy: -87.425
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: 1
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -1177.321037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.321037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.321037 (E_RNA)
where:
Base-Base interactions energy: -819.640
where: short stacking energy: -357.163
Base-Backbone interact. energy: -1.326
local terms energy: -356.355132
where:
bonds (distance) C4'-P energy: -69.914
bonds (distance) P-C4' energy: -59.588
flat angles C4'-P-C4' energy: -69.190
flat angles P-C4'-P energy: -49.278
tors. eta vs tors. theta energy: -108.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -1096.620338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.620338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.620338 (E_RNA)
where:
Base-Base interactions energy: -749.874
where: short stacking energy: -341.090
Base-Backbone interact. energy: -0.738
local terms energy: -346.007714
where:
bonds (distance) C4'-P energy: -55.680
bonds (distance) P-C4' energy: -63.815
flat angles C4'-P-C4' energy: -75.377
flat angles P-C4'-P energy: -46.336
tors. eta vs tors. theta energy: -104.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -1057.106206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.106206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.106206 (E_RNA)
where:
Base-Base interactions energy: -729.837
where: short stacking energy: -323.568
Base-Backbone interact. energy: -0.388
local terms energy: -326.881142
where:
bonds (distance) C4'-P energy: -65.324
bonds (distance) P-C4' energy: -60.092
flat angles C4'-P-C4' energy: -65.878
flat angles P-C4'-P energy: -37.164
tors. eta vs tors. theta energy: -98.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -970.249912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.249912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.249912 (E_RNA)
where:
Base-Base interactions energy: -642.940
where: short stacking energy: -301.680
Base-Backbone interact. energy: -1.774
local terms energy: -325.535797
where:
bonds (distance) C4'-P energy: -72.659
bonds (distance) P-C4' energy: -62.371
flat angles C4'-P-C4' energy: -63.115
flat angles P-C4'-P energy: -45.487
tors. eta vs tors. theta energy: -81.904
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: 3
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -898.991706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.991706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.991706 (E_RNA)
where:
Base-Base interactions energy: -620.127
where: short stacking energy: -252.548
Base-Backbone interact. energy: 0.091
local terms energy: -278.956106
where:
bonds (distance) C4'-P energy: -55.269
bonds (distance) P-C4' energy: -50.372
flat angles C4'-P-C4' energy: -67.681
flat angles P-C4'-P energy: -34.956
tors. eta vs tors. theta energy: -70.678
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: 7, replica: 9
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -861.213302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.213302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.213302 (E_RNA)
where:
Base-Base interactions energy: -591.076
where: short stacking energy: -262.501
Base-Backbone interact. energy: 2.162
local terms energy: -272.299716
where:
bonds (distance) C4'-P energy: -46.878
bonds (distance) P-C4' energy: -57.734
flat angles C4'-P-C4' energy: -61.611
flat angles P-C4'-P energy: -33.741
tors. eta vs tors. theta energy: -72.336
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: 6
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -764.886434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.886434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.886434 (E_RNA)
where:
Base-Base interactions energy: -493.994
where: short stacking energy: -220.471
Base-Backbone interact. energy: -1.253
local terms energy: -269.639297
where:
bonds (distance) C4'-P energy: -57.395
bonds (distance) P-C4' energy: -57.132
flat angles C4'-P-C4' energy: -63.089
flat angles P-C4'-P energy: -36.530
tors. eta vs tors. theta energy: -55.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -494.032561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.032561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.032561 (E_RNA)
where:
Base-Base interactions energy: -269.704
where: short stacking energy: -160.436
Base-Backbone interact. energy: -1.712
local terms energy: -222.616406
where:
bonds (distance) C4'-P energy: -54.714
bonds (distance) P-C4' energy: -56.563
flat angles C4'-P-C4' energy: -43.906
flat angles P-C4'-P energy: -38.511
tors. eta vs tors. theta energy: -28.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -381.839511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.839511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.839511 (E_RNA)
where:
Base-Base interactions energy: -200.297
where: short stacking energy: -116.048
Base-Backbone interact. energy: 1.404
local terms energy: -182.946947
where:
bonds (distance) C4'-P energy: -55.113
bonds (distance) P-C4' energy: -45.784
flat angles C4'-P-C4' energy: -45.700
flat angles P-C4'-P energy: -39.930
tors. eta vs tors. theta energy: 3.580
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: 1, replica: 1
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -1176.953355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.953355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.953355 (E_RNA)
where:
Base-Base interactions energy: -812.712
where: short stacking energy: -351.247
Base-Backbone interact. energy: 1.171
local terms energy: -365.412349
where:
bonds (distance) C4'-P energy: -68.331
bonds (distance) P-C4' energy: -65.057
flat angles C4'-P-C4' energy: -72.921
flat angles P-C4'-P energy: -49.635
tors. eta vs tors. theta energy: -109.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -1133.494053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.494053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.494053 (E_RNA)
where:
Base-Base interactions energy: -797.707
where: short stacking energy: -327.034
Base-Backbone interact. energy: 5.608
local terms energy: -341.395267
where:
bonds (distance) C4'-P energy: -70.403
bonds (distance) P-C4' energy: -69.046
flat angles C4'-P-C4' energy: -74.585
flat angles P-C4'-P energy: -40.523
tors. eta vs tors. theta energy: -86.839
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: 2
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -1088.456544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.456544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.456544 (E_RNA)
where:
Base-Base interactions energy: -758.323
where: short stacking energy: -336.423
Base-Backbone interact. energy: -0.435
local terms energy: -329.699224
where:
bonds (distance) C4'-P energy: -54.197
bonds (distance) P-C4' energy: -61.286
flat angles C4'-P-C4' energy: -67.812
flat angles P-C4'-P energy: -47.762
tors. eta vs tors. theta energy: -98.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -1001.900446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.900446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.900446 (E_RNA)
where:
Base-Base interactions energy: -675.671
where: short stacking energy: -276.699
Base-Backbone interact. energy: -1.024
local terms energy: -325.205425
where:
bonds (distance) C4'-P energy: -67.285
bonds (distance) P-C4' energy: -68.254
flat angles C4'-P-C4' energy: -66.547
flat angles P-C4'-P energy: -52.188
tors. eta vs tors. theta energy: -70.931
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: 4
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -986.078791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.078791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.078791 (E_RNA)
where:
Base-Base interactions energy: -672.228
where: short stacking energy: -298.829
Base-Backbone interact. energy: -0.977
local terms energy: -312.873729
where:
bonds (distance) C4'-P energy: -50.961
bonds (distance) P-C4' energy: -64.261
flat angles C4'-P-C4' energy: -65.222
flat angles P-C4'-P energy: -42.522
tors. eta vs tors. theta energy: -89.907
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: 6, replica: 3
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -895.039981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.039981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.039981 (E_RNA)
where:
Base-Base interactions energy: -623.453
where: short stacking energy: -266.947
Base-Backbone interact. energy: -1.306
local terms energy: -270.280951
where:
bonds (distance) C4'-P energy: -44.901
bonds (distance) P-C4' energy: -69.064
flat angles C4'-P-C4' energy: -56.870
flat angles P-C4'-P energy: -42.162
tors. eta vs tors. theta energy: -57.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -825.578380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.578380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.578380 (E_RNA)
where:
Base-Base interactions energy: -542.212
where: short stacking energy: -236.764
Base-Backbone interact. energy: 0.277
local terms energy: -283.642612
where:
bonds (distance) C4'-P energy: -59.477
bonds (distance) P-C4' energy: -59.180
flat angles C4'-P-C4' energy: -59.784
flat angles P-C4'-P energy: -37.944
tors. eta vs tors. theta energy: -67.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -763.380831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.380831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.380831 (E_RNA)
where:
Base-Base interactions energy: -496.948
where: short stacking energy: -211.524
Base-Backbone interact. energy: -0.422
local terms energy: -266.010533
where:
bonds (distance) C4'-P energy: -54.346
bonds (distance) P-C4' energy: -60.828
flat angles C4'-P-C4' energy: -62.259
flat angles P-C4'-P energy: -39.921
tors. eta vs tors. theta energy: -48.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -433.699781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.699781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.699781 (E_RNA)
where:
Base-Base interactions energy: -231.114
where: short stacking energy: -127.044
Base-Backbone interact. energy: -2.913
local terms energy: -199.672781
where:
bonds (distance) C4'-P energy: -48.582
bonds (distance) P-C4' energy: -57.510
flat angles C4'-P-C4' energy: -38.773
flat angles P-C4'-P energy: -42.205
tors. eta vs tors. theta energy: -12.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -375.726237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.726237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.726237 (E_RNA)
where:
Base-Base interactions energy: -200.635
where: short stacking energy: -111.145
Base-Backbone interact. energy: -0.192
local terms energy: -174.899645
where:
bonds (distance) C4'-P energy: -43.433
bonds (distance) P-C4' energy: -53.080
flat angles C4'-P-C4' energy: -46.588
flat angles P-C4'-P energy: -31.164
tors. eta vs tors. theta energy: -0.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -1208.104584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.104584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.104584 (E_RNA)
where:
Base-Base interactions energy: -826.892
where: short stacking energy: -348.217
Base-Backbone interact. energy: -0.297
local terms energy: -380.914897
where:
bonds (distance) C4'-P energy: -68.506
bonds (distance) P-C4' energy: -71.687
flat angles C4'-P-C4' energy: -78.422
flat angles P-C4'-P energy: -58.162
tors. eta vs tors. theta energy: -104.138
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: 8
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -1136.039237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.039237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.039237 (E_RNA)
where:
Base-Base interactions energy: -815.586
where: short stacking energy: -335.653
Base-Backbone interact. energy: 4.082
local terms energy: -324.535526
where:
bonds (distance) C4'-P energy: -53.644
bonds (distance) P-C4' energy: -62.141
flat angles C4'-P-C4' energy: -70.945
flat angles P-C4'-P energy: -50.488
tors. eta vs tors. theta energy: -87.317
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: 351
Temperature: 1.000000
Total energy: -1081.361885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.361885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.361885 (E_RNA)
where:
Base-Base interactions energy: -747.763
where: short stacking energy: -336.469
Base-Backbone interact. energy: -1.746
local terms energy: -331.852519
where:
bonds (distance) C4'-P energy: -58.592
bonds (distance) P-C4' energy: -61.488
flat angles C4'-P-C4' energy: -70.778
flat angles P-C4'-P energy: -44.312
tors. eta vs tors. theta energy: -96.683
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: 4
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -994.469732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.469732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.469732 (E_RNA)
where:
Base-Base interactions energy: -677.189
where: short stacking energy: -294.230
Base-Backbone interact. energy: -1.216
local terms energy: -316.064867
where:
bonds (distance) C4'-P energy: -55.447
bonds (distance) P-C4' energy: -64.283
flat angles C4'-P-C4' energy: -73.395
flat angles P-C4'-P energy: -40.353
tors. eta vs tors. theta energy: -82.587
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: 10
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -1009.139977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.139977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.139977 (E_RNA)
where:
Base-Base interactions energy: -707.049
where: short stacking energy: -303.762
Base-Backbone interact. energy: -0.601
local terms energy: -301.490045
where:
bonds (distance) C4'-P energy: -60.139
bonds (distance) P-C4' energy: -54.028
flat angles C4'-P-C4' energy: -67.069
flat angles P-C4'-P energy: -37.496
tors. eta vs tors. theta energy: -82.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -898.432131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.432131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.432131 (E_RNA)
where:
Base-Base interactions energy: -611.929
where: short stacking energy: -265.362
Base-Backbone interact. energy: 0.712
local terms energy: -287.215326
where:
bonds (distance) C4'-P energy: -60.661
bonds (distance) P-C4' energy: -48.967
flat angles C4'-P-C4' energy: -72.459
flat angles P-C4'-P energy: -33.947
tors. eta vs tors. theta energy: -71.181
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: 7, replica: 9
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -851.517602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.517602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.517602 (E_RNA)
where:
Base-Base interactions energy: -593.673
where: short stacking energy: -249.303
Base-Backbone interact. energy: -2.185
local terms energy: -255.659711
where:
bonds (distance) C4'-P energy: -56.041
bonds (distance) P-C4' energy: -47.632
flat angles C4'-P-C4' energy: -55.412
flat angles P-C4'-P energy: -31.093
tors. eta vs tors. theta energy: -65.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -696.440084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.440084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.440084 (E_RNA)
where:
Base-Base interactions energy: -463.965
where: short stacking energy: -209.428
Base-Backbone interact. energy: -1.874
local terms energy: -230.601254
where:
bonds (distance) C4'-P energy: -50.602
bonds (distance) P-C4' energy: -35.071
flat angles C4'-P-C4' energy: -60.202
flat angles P-C4'-P energy: -37.554
tors. eta vs tors. theta energy: -47.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -454.454512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.454512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.454512 (E_RNA)
where:
Base-Base interactions energy: -245.526
where: short stacking energy: -141.895
Base-Backbone interact. energy: 0.354
local terms energy: -209.282517
where:
bonds (distance) C4'-P energy: -56.143
bonds (distance) P-C4' energy: -58.134
flat angles C4'-P-C4' energy: -42.119
flat angles P-C4'-P energy: -35.893
tors. eta vs tors. theta energy: -16.994
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: 7
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -392.988946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.988946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.988946 (E_RNA)
where:
Base-Base interactions energy: -207.109
where: short stacking energy: -123.237
Base-Backbone interact. energy: -0.565
local terms energy: -185.314965
where:
bonds (distance) C4'-P energy: -55.151
bonds (distance) P-C4' energy: -42.866
flat angles C4'-P-C4' energy: -50.947
flat angles P-C4'-P energy: -28.020
tors. eta vs tors. theta energy: -8.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -1160.844042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.844042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.844042 (E_RNA)
where:
Base-Base interactions energy: -828.748
where: short stacking energy: -345.238
Base-Backbone interact. energy: 4.553
local terms energy: -336.649163
where:
bonds (distance) C4'-P energy: -61.104
bonds (distance) P-C4' energy: -66.475
flat angles C4'-P-C4' energy: -74.366
flat angles P-C4'-P energy: -43.858
tors. eta vs tors. theta energy: -90.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -1164.916634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.916634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.916634 (E_RNA)
where:
Base-Base interactions energy: -814.659
where: short stacking energy: -341.032
Base-Backbone interact. energy: 1.115
local terms energy: -351.372562
where:
bonds (distance) C4'-P energy: -68.858
bonds (distance) P-C4' energy: -62.849
flat angles C4'-P-C4' energy: -71.557
flat angles P-C4'-P energy: -46.225
tors. eta vs tors. theta energy: -101.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -1035.034927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.034927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.034927 (E_RNA)
where:
Base-Base interactions energy: -695.144
where: short stacking energy: -328.694
Base-Backbone interact. energy: -0.366
local terms energy: -339.524757
where:
bonds (distance) C4'-P energy: -72.040
bonds (distance) P-C4' energy: -61.071
flat angles C4'-P-C4' energy: -67.100
flat angles P-C4'-P energy: -44.689
tors. eta vs tors. theta energy: -94.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -1062.253409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.253409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.253409 (E_RNA)
where:
Base-Base interactions energy: -734.326
where: short stacking energy: -338.276
Base-Backbone interact. energy: -0.900
local terms energy: -327.027662
where:
bonds (distance) C4'-P energy: -56.275
bonds (distance) P-C4' energy: -65.639
flat angles C4'-P-C4' energy: -71.881
flat angles P-C4'-P energy: -48.008
tors. eta vs tors. theta energy: -85.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -949.988959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.988959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.988959 (E_RNA)
where:
Base-Base interactions energy: -655.957
where: short stacking energy: -268.817
Base-Backbone interact. energy: -0.290
local terms energy: -293.742217
where:
bonds (distance) C4'-P energy: -62.890
bonds (distance) P-C4' energy: -66.028
flat angles C4'-P-C4' energy: -51.454
flat angles P-C4'-P energy: -44.652
tors. eta vs tors. theta energy: -68.719
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: 6, replica: 3
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -888.922238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.922238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.922238 (E_RNA)
where:
Base-Base interactions energy: -627.077
where: short stacking energy: -271.341
Base-Backbone interact. energy: -0.595
local terms energy: -261.250010
where:
bonds (distance) C4'-P energy: -51.826
bonds (distance) P-C4' energy: -45.306
flat angles C4'-P-C4' energy: -60.029
flat angles P-C4'-P energy: -38.881
tors. eta vs tors. theta energy: -65.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -832.676460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.676460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.676460 (E_RNA)
where:
Base-Base interactions energy: -547.027
where: short stacking energy: -245.725
Base-Backbone interact. energy: -0.925
local terms energy: -284.724496
where:
bonds (distance) C4'-P energy: -60.220
bonds (distance) P-C4' energy: -58.682
flat angles C4'-P-C4' energy: -71.605
flat angles P-C4'-P energy: -30.234
tors. eta vs tors. theta energy: -63.983
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: 6
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -691.401284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.401284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.401284 (E_RNA)
where:
Base-Base interactions energy: -457.868
where: short stacking energy: -208.241
Base-Backbone interact. energy: 5.736
local terms energy: -239.270052
where:
bonds (distance) C4'-P energy: -51.298
bonds (distance) P-C4' energy: -56.567
flat angles C4'-P-C4' energy: -61.917
flat angles P-C4'-P energy: -33.884
tors. eta vs tors. theta energy: -35.604
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: 5
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -482.521408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.521408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.521408 (E_RNA)
where:
Base-Base interactions energy: -250.963
where: short stacking energy: -148.800
Base-Backbone interact. energy: -0.917
local terms energy: -230.641343
where:
bonds (distance) C4'-P energy: -56.698
bonds (distance) P-C4' energy: -53.474
flat angles C4'-P-C4' energy: -57.507
flat angles P-C4'-P energy: -33.547
tors. eta vs tors. theta energy: -29.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -443.314118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.314118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.314118 (E_RNA)
where:
Base-Base interactions energy: -249.317
where: short stacking energy: -134.290
Base-Backbone interact. energy: -1.089
local terms energy: -192.908211
where:
bonds (distance) C4'-P energy: -43.833
bonds (distance) P-C4' energy: -54.049
flat angles C4'-P-C4' energy: -54.238
flat angles P-C4'-P energy: -31.554
tors. eta vs tors. theta energy: -9.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -1159.455276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.455276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.455276 (E_RNA)
where:
Base-Base interactions energy: -828.828
where: short stacking energy: -350.893
Base-Backbone interact. energy: 6.510
local terms energy: -337.137927
where:
bonds (distance) C4'-P energy: -63.079
bonds (distance) P-C4' energy: -71.271
flat angles C4'-P-C4' energy: -69.783
flat angles P-C4'-P energy: -42.042
tors. eta vs tors. theta energy: -90.962
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: 1
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -1175.363645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.363645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.363645 (E_RNA)
where:
Base-Base interactions energy: -816.586
where: short stacking energy: -344.618
Base-Backbone interact. energy: -0.468
local terms energy: -358.309330
where:
bonds (distance) C4'-P energy: -60.766
bonds (distance) P-C4' energy: -67.829
flat angles C4'-P-C4' energy: -72.496
flat angles P-C4'-P energy: -49.227
tors. eta vs tors. theta energy: -107.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -1038.539137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.539137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.539137 (E_RNA)
where:
Base-Base interactions energy: -708.962
where: short stacking energy: -316.064
Base-Backbone interact. energy: -0.553
local terms energy: -329.024202
where:
bonds (distance) C4'-P energy: -54.768
bonds (distance) P-C4' energy: -68.903
flat angles C4'-P-C4' energy: -72.908
flat angles P-C4'-P energy: -47.075
tors. eta vs tors. theta energy: -85.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -1063.111570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.111570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.111570 (E_RNA)
where:
Base-Base interactions energy: -736.518
where: short stacking energy: -315.402
Base-Backbone interact. energy: -1.107
local terms energy: -325.486039
where:
bonds (distance) C4'-P energy: -60.324
bonds (distance) P-C4' energy: -67.506
flat angles C4'-P-C4' energy: -68.002
flat angles P-C4'-P energy: -39.439
tors. eta vs tors. theta energy: -90.215
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: 10
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -995.403839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.403839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.403839 (E_RNA)
where:
Base-Base interactions energy: -678.339
where: short stacking energy: -278.045
Base-Backbone interact. energy: -1.958
local terms energy: -315.106583
where:
bonds (distance) C4'-P energy: -56.439
bonds (distance) P-C4' energy: -70.654
flat angles C4'-P-C4' energy: -69.350
flat angles P-C4'-P energy: -37.807
tors. eta vs tors. theta energy: -80.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -872.364623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.364623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.364623 (E_RNA)
where:
Base-Base interactions energy: -588.318
where: short stacking energy: -250.011
Base-Backbone interact. energy: -0.566
local terms energy: -283.480395
where:
bonds (distance) C4'-P energy: -48.666
bonds (distance) P-C4' energy: -55.399
flat angles C4'-P-C4' energy: -66.772
flat angles P-C4'-P energy: -50.151
tors. eta vs tors. theta energy: -62.492
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: 353
Temperature: 1.200000
Total energy: -857.181476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.181476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.181476 (E_RNA)
where:
Base-Base interactions energy: -586.303
where: short stacking energy: -236.633
Base-Backbone interact. energy: -0.446
local terms energy: -270.433052
where:
bonds (distance) C4'-P energy: -47.735
bonds (distance) P-C4' energy: -60.172
flat angles C4'-P-C4' energy: -63.186
flat angles P-C4'-P energy: -37.515
tors. eta vs tors. theta energy: -61.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -719.158518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.158518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.158518 (E_RNA)
where:
Base-Base interactions energy: -468.159
where: short stacking energy: -203.111
Base-Backbone interact. energy: 1.229
local terms energy: -252.228270
where:
bonds (distance) C4'-P energy: -58.830
bonds (distance) P-C4' energy: -49.156
flat angles C4'-P-C4' energy: -52.419
flat angles P-C4'-P energy: -36.133
tors. eta vs tors. theta energy: -55.689
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: 353
Temperature: 1.300000
Total energy: -439.808020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.808020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.808020 (E_RNA)
where:
Base-Base interactions energy: -247.066
where: short stacking energy: -156.724
Base-Backbone interact. energy: -0.317
local terms energy: -192.424845
where:
bonds (distance) C4'-P energy: -53.843
bonds (distance) P-C4' energy: -56.170
flat angles C4'-P-C4' energy: -35.358
flat angles P-C4'-P energy: -25.709
tors. eta vs tors. theta energy: -21.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -383.206538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.206538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.206538 (E_RNA)
where:
Base-Base interactions energy: -209.291
where: short stacking energy: -97.274
Base-Backbone interact. energy: -1.352
local terms energy: -172.564097
where:
bonds (distance) C4'-P energy: -46.251
bonds (distance) P-C4' energy: -56.651
flat angles C4'-P-C4' energy: -34.161
flat angles P-C4'-P energy: -44.319
tors. eta vs tors. theta energy: 8.818
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: 1
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -1209.960083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.960083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.960083 (E_RNA)
where:
Base-Base interactions energy: -836.562
where: short stacking energy: -362.597
Base-Backbone interact. energy: -0.747
local terms energy: -372.651021
where:
bonds (distance) C4'-P energy: -68.316
bonds (distance) P-C4' energy: -61.334
flat angles C4'-P-C4' energy: -79.127
flat angles P-C4'-P energy: -54.510
tors. eta vs tors. theta energy: -109.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -1132.074597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.074597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.074597 (E_RNA)
where:
Base-Base interactions energy: -817.115
where: short stacking energy: -329.206
Base-Backbone interact. energy: 5.550
local terms energy: -320.509597
where:
bonds (distance) C4'-P energy: -49.869
bonds (distance) P-C4' energy: -60.712
flat angles C4'-P-C4' energy: -73.796
flat angles P-C4'-P energy: -48.747
tors. eta vs tors. theta energy: -87.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -1063.297616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.297616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.297616 (E_RNA)
where:
Base-Base interactions energy: -730.565
where: short stacking energy: -328.977
Base-Backbone interact. energy: -0.373
local terms energy: -332.359536
where:
bonds (distance) C4'-P energy: -61.126
bonds (distance) P-C4' energy: -65.349
flat angles C4'-P-C4' energy: -60.509
flat angles P-C4'-P energy: -56.003
tors. eta vs tors. theta energy: -89.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -1013.207651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.207651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.207651 (E_RNA)
where:
Base-Base interactions energy: -682.417
where: short stacking energy: -318.190
Base-Backbone interact. energy: -0.732
local terms energy: -330.058635
where:
bonds (distance) C4'-P energy: -62.873
bonds (distance) P-C4' energy: -63.226
flat angles C4'-P-C4' energy: -67.414
flat angles P-C4'-P energy: -43.466
tors. eta vs tors. theta energy: -93.080
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: 10
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -992.318856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.318856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.318856 (E_RNA)
where:
Base-Base interactions energy: -689.457
where: short stacking energy: -279.358
Base-Backbone interact. energy: -0.899
local terms energy: -301.963124
where:
bonds (distance) C4'-P energy: -60.618
bonds (distance) P-C4' energy: -64.828
flat angles C4'-P-C4' energy: -65.301
flat angles P-C4'-P energy: -38.583
tors. eta vs tors. theta energy: -72.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -862.534962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.534962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.534962 (E_RNA)
where:
Base-Base interactions energy: -593.009
where: short stacking energy: -247.651
Base-Backbone interact. energy: -1.928
local terms energy: -267.597967
where:
bonds (distance) C4'-P energy: -47.039
bonds (distance) P-C4' energy: -53.944
flat angles C4'-P-C4' energy: -73.115
flat angles P-C4'-P energy: -32.520
tors. eta vs tors. theta energy: -60.980
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: 3
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -850.365323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.365323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.365323 (E_RNA)
where:
Base-Base interactions energy: -569.777
where: short stacking energy: -242.901
Base-Backbone interact. energy: -1.575
local terms energy: -279.012593
where:
bonds (distance) C4'-P energy: -55.293
bonds (distance) P-C4' energy: -51.035
flat angles C4'-P-C4' energy: -59.701
flat angles P-C4'-P energy: -44.476
tors. eta vs tors. theta energy: -68.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -772.250564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.250564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.250564 (E_RNA)
where:
Base-Base interactions energy: -507.731
where: short stacking energy: -211.336
Base-Backbone interact. energy: -2.246
local terms energy: -262.272881
where:
bonds (distance) C4'-P energy: -52.149
bonds (distance) P-C4' energy: -58.211
flat angles C4'-P-C4' energy: -59.043
flat angles P-C4'-P energy: -33.531
tors. eta vs tors. theta energy: -59.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -424.987921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.987921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.987921 (E_RNA)
where:
Base-Base interactions energy: -214.346
where: short stacking energy: -129.831
Base-Backbone interact. energy: -0.723
local terms energy: -209.919248
where:
bonds (distance) C4'-P energy: -70.764
bonds (distance) P-C4' energy: -49.466
flat angles C4'-P-C4' energy: -46.390
flat angles P-C4'-P energy: -26.613
tors. eta vs tors. theta energy: -16.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -374.581196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.581196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.581196 (E_RNA)
where:
Base-Base interactions energy: -182.314
where: short stacking energy: -112.829
Base-Backbone interact. energy: -0.962
local terms energy: -191.305043
where:
bonds (distance) C4'-P energy: -51.989
bonds (distance) P-C4' energy: -56.104
flat angles C4'-P-C4' energy: -58.465
flat angles P-C4'-P energy: -20.593
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: 1
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -1192.880131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.880131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.880131 (E_RNA)
where:
Base-Base interactions energy: -819.244
where: short stacking energy: -363.149
Base-Backbone interact. energy: -1.559
local terms energy: -372.076793
where:
bonds (distance) C4'-P energy: -59.172
bonds (distance) P-C4' energy: -73.180
flat angles C4'-P-C4' energy: -77.929
flat angles P-C4'-P energy: -48.613
tors. eta vs tors. theta energy: -113.182
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: 8
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -1122.288518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.288518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.288518 (E_RNA)
where:
Base-Base interactions energy: -795.076
where: short stacking energy: -326.972
Base-Backbone interact. energy: 4.139
local terms energy: -331.351282
where:
bonds (distance) C4'-P energy: -58.040
bonds (distance) P-C4' energy: -72.647
flat angles C4'-P-C4' energy: -70.216
flat angles P-C4'-P energy: -46.033
tors. eta vs tors. theta energy: -84.415
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: 2
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -1072.135684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.135684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.135684 (E_RNA)
where:
Base-Base interactions energy: -739.773
where: short stacking energy: -316.811
Base-Backbone interact. energy: -1.878
local terms energy: -330.484940
where:
bonds (distance) C4'-P energy: -61.336
bonds (distance) P-C4' energy: -61.351
flat angles C4'-P-C4' energy: -64.909
flat angles P-C4'-P energy: -52.002
tors. eta vs tors. theta energy: -90.888
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: 4, replica: 10
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -1027.490468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.490468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.490468 (E_RNA)
where:
Base-Base interactions energy: -694.430
where: short stacking energy: -288.392
Base-Backbone interact. energy: -0.538
local terms energy: -332.522435
where:
bonds (distance) C4'-P energy: -61.515
bonds (distance) P-C4' energy: -65.957
flat angles C4'-P-C4' energy: -63.225
flat angles P-C4'-P energy: -57.905
tors. eta vs tors. theta energy: -83.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -988.534933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.534933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.534933 (E_RNA)
where:
Base-Base interactions energy: -683.574
where: short stacking energy: -305.859
Base-Backbone interact. energy: -1.503
local terms energy: -303.457636
where:
bonds (distance) C4'-P energy: -50.871
bonds (distance) P-C4' energy: -72.510
flat angles C4'-P-C4' energy: -63.944
flat angles P-C4'-P energy: -30.394
tors. eta vs tors. theta energy: -85.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -869.068483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.068483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.068483 (E_RNA)
where:
Base-Base interactions energy: -586.202
where: short stacking energy: -251.832
Base-Backbone interact. energy: -1.410
local terms energy: -281.456641
where:
bonds (distance) C4'-P energy: -55.191
bonds (distance) P-C4' energy: -63.984
flat angles C4'-P-C4' energy: -58.659
flat angles P-C4'-P energy: -45.567
tors. eta vs tors. theta energy: -58.055
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: 9
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -817.863176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.863176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.863176 (E_RNA)
where:
Base-Base interactions energy: -533.213
where: short stacking energy: -238.871
Base-Backbone interact. energy: 0.236
local terms energy: -284.885699
where:
bonds (distance) C4'-P energy: -57.598
bonds (distance) P-C4' energy: -55.282
flat angles C4'-P-C4' energy: -60.493
flat angles P-C4'-P energy: -45.005
tors. eta vs tors. theta energy: -66.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -740.709517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.709517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.709517 (E_RNA)
where:
Base-Base interactions energy: -487.987
where: short stacking energy: -238.713
Base-Backbone interact. energy: -0.424
local terms energy: -252.298350
where:
bonds (distance) C4'-P energy: -59.513
bonds (distance) P-C4' energy: -51.201
flat angles C4'-P-C4' energy: -51.959
flat angles P-C4'-P energy: -36.169
tors. eta vs tors. theta energy: -53.456
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: 9, replica: 5
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -451.137652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.137652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.137652 (E_RNA)
where:
Base-Base interactions energy: -236.799
where: short stacking energy: -153.108
Base-Backbone interact. energy: 2.027
local terms energy: -216.365859
where:
bonds (distance) C4'-P energy: -56.749
bonds (distance) P-C4' energy: -49.125
flat angles C4'-P-C4' energy: -56.047
flat angles P-C4'-P energy: -35.849
tors. eta vs tors. theta energy: -18.596
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: 7
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -406.209746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.209746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.209746 (E_RNA)
where:
Base-Base interactions energy: -209.745
where: short stacking energy: -138.909
Base-Backbone interact. energy: 0.895
local terms energy: -197.359670
where:
bonds (distance) C4'-P energy: -53.878
bonds (distance) P-C4' energy: -52.370
flat angles C4'-P-C4' energy: -46.818
flat angles P-C4'-P energy: -23.962
tors. eta vs tors. theta energy: -20.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -1189.673500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.673500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.673500 (E_RNA)
where:
Base-Base interactions energy: -819.385
where: short stacking energy: -369.048
Base-Backbone interact. energy: -0.961
local terms energy: -369.326740
where:
bonds (distance) C4'-P energy: -62.220
bonds (distance) P-C4' energy: -70.203
flat angles C4'-P-C4' energy: -75.419
flat angles P-C4'-P energy: -56.119
tors. eta vs tors. theta energy: -105.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -1128.649777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.649777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.649777 (E_RNA)
where:
Base-Base interactions energy: -806.751
where: short stacking energy: -316.157
Base-Backbone interact. energy: 4.648
local terms energy: -326.546983
where:
bonds (distance) C4'-P energy: -53.236
bonds (distance) P-C4' energy: -69.950
flat angles C4'-P-C4' energy: -68.083
flat angles P-C4'-P energy: -48.730
tors. eta vs tors. theta energy: -86.548
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: 356
Temperature: 1.000000
Total energy: -1094.230142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.230142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.230142 (E_RNA)
where:
Base-Base interactions energy: -756.155
where: short stacking energy: -319.495
Base-Backbone interact. energy: 1.093
local terms energy: -339.167676
where:
bonds (distance) C4'-P energy: -57.995
bonds (distance) P-C4' energy: -65.648
flat angles C4'-P-C4' energy: -71.256
flat angles P-C4'-P energy: -48.149
tors. eta vs tors. theta energy: -96.119
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: 2
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -1039.108190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.108190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.108190 (E_RNA)
where:
Base-Base interactions energy: -731.746
where: short stacking energy: -308.006
Base-Backbone interact. energy: 1.641
local terms energy: -309.003103
where:
bonds (distance) C4'-P energy: -50.804
bonds (distance) P-C4' energy: -57.181
flat angles C4'-P-C4' energy: -65.613
flat angles P-C4'-P energy: -46.524
tors. eta vs tors. theta energy: -88.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -904.175509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.175509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.175509 (E_RNA)
where:
Base-Base interactions energy: -614.523
where: short stacking energy: -274.093
Base-Backbone interact. energy: -1.460
local terms energy: -288.192115
where:
bonds (distance) C4'-P energy: -58.099
bonds (distance) P-C4' energy: -63.364
flat angles C4'-P-C4' energy: -63.122
flat angles P-C4'-P energy: -32.004
tors. eta vs tors. theta energy: -71.602
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: 4
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -934.954762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.954762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.954762 (E_RNA)
where:
Base-Base interactions energy: -615.564
where: short stacking energy: -272.645
Base-Backbone interact. energy: -0.633
local terms energy: -318.758592
where:
bonds (distance) C4'-P energy: -61.446
bonds (distance) P-C4' energy: -64.695
flat angles C4'-P-C4' energy: -70.650
flat angles P-C4'-P energy: -43.183
tors. eta vs tors. theta energy: -78.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -811.525147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.525147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.525147 (E_RNA)
where:
Base-Base interactions energy: -541.940
where: short stacking energy: -254.246
Base-Backbone interact. energy: 0.895
local terms energy: -270.479729
where:
bonds (distance) C4'-P energy: -57.785
bonds (distance) P-C4' energy: -58.917
flat angles C4'-P-C4' energy: -68.570
flat angles P-C4'-P energy: -33.953
tors. eta vs tors. theta energy: -51.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -726.103412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.103412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.103412 (E_RNA)
where:
Base-Base interactions energy: -452.442
where: short stacking energy: -210.009
Base-Backbone interact. energy: -1.835
local terms energy: -271.826372
where:
bonds (distance) C4'-P energy: -63.781
bonds (distance) P-C4' energy: -66.114
flat angles C4'-P-C4' energy: -57.750
flat angles P-C4'-P energy: -37.216
tors. eta vs tors. theta energy: -46.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -437.480815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.480815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.480815 (E_RNA)
where:
Base-Base interactions energy: -216.258
where: short stacking energy: -125.877
Base-Backbone interact. energy: -0.404
local terms energy: -220.819031
where:
bonds (distance) C4'-P energy: -50.134
bonds (distance) P-C4' energy: -60.675
flat angles C4'-P-C4' energy: -52.744
flat angles P-C4'-P energy: -46.035
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: 7
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -443.598308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.598308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.598308 (E_RNA)
where:
Base-Base interactions energy: -239.603
where: short stacking energy: -140.629
Base-Backbone interact. energy: -0.119
local terms energy: -203.876154
where:
bonds (distance) C4'-P energy: -48.680
bonds (distance) P-C4' energy: -61.539
flat angles C4'-P-C4' energy: -34.811
flat angles P-C4'-P energy: -36.647
tors. eta vs tors. theta energy: -22.199
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: 1, replica: 1
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -1206.849692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.849692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.849692 (E_RNA)
where:
Base-Base interactions energy: -837.732
where: short stacking energy: -364.330
Base-Backbone interact. energy: 0.575
local terms energy: -369.692626
where:
bonds (distance) C4'-P energy: -60.258
bonds (distance) P-C4' energy: -70.510
flat angles C4'-P-C4' energy: -75.503
flat angles P-C4'-P energy: -52.735
tors. eta vs tors. theta energy: -110.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -1119.620490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.620490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.620490 (E_RNA)
where:
Base-Base interactions energy: -794.714
where: short stacking energy: -333.690
Base-Backbone interact. energy: 3.607
local terms energy: -328.513965
where:
bonds (distance) C4'-P energy: -53.240
bonds (distance) P-C4' energy: -65.454
flat angles C4'-P-C4' energy: -74.855
flat angles P-C4'-P energy: -51.692
tors. eta vs tors. theta energy: -83.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -1092.720371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.720371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.720371 (E_RNA)
where:
Base-Base interactions energy: -747.725
where: short stacking energy: -330.482
Base-Backbone interact. energy: -1.582
local terms energy: -343.413634
where:
bonds (distance) C4'-P energy: -55.686
bonds (distance) P-C4' energy: -66.662
flat angles C4'-P-C4' energy: -73.004
flat angles P-C4'-P energy: -46.786
tors. eta vs tors. theta energy: -101.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -1034.848670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.848670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.848670 (E_RNA)
where:
Base-Base interactions energy: -726.644
where: short stacking energy: -313.762
Base-Backbone interact. energy: -1.685
local terms energy: -306.519760
where:
bonds (distance) C4'-P energy: -67.963
bonds (distance) P-C4' energy: -64.444
flat angles C4'-P-C4' energy: -50.522
flat angles P-C4'-P energy: -33.901
tors. eta vs tors. theta energy: -89.689
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: 3
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -889.794360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.794360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.794360 (E_RNA)
where:
Base-Base interactions energy: -584.190
where: short stacking energy: -277.721
Base-Backbone interact. energy: -0.981
local terms energy: -304.623656
where:
bonds (distance) C4'-P energy: -56.738
bonds (distance) P-C4' energy: -60.208
flat angles C4'-P-C4' energy: -62.454
flat angles P-C4'-P energy: -48.337
tors. eta vs tors. theta energy: -76.887
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: 4
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -967.283854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.283854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.283854 (E_RNA)
where:
Base-Base interactions energy: -648.325
where: short stacking energy: -305.414
Base-Backbone interact. energy: 0.449
local terms energy: -319.408541
where:
bonds (distance) C4'-P energy: -56.629
bonds (distance) P-C4' energy: -65.343
flat angles C4'-P-C4' energy: -70.579
flat angles P-C4'-P energy: -43.585
tors. eta vs tors. theta energy: -83.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -763.271893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.271893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.271893 (E_RNA)
where:
Base-Base interactions energy: -523.440
where: short stacking energy: -217.675
Base-Backbone interact. energy: -1.640
local terms energy: -238.191733
where:
bonds (distance) C4'-P energy: -53.768
bonds (distance) P-C4' energy: -47.367
flat angles C4'-P-C4' energy: -57.042
flat angles P-C4'-P energy: -33.841
tors. eta vs tors. theta energy: -46.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -710.833069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.833069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.833069 (E_RNA)
where:
Base-Base interactions energy: -474.423
where: short stacking energy: -211.796
Base-Backbone interact. energy: -0.915
local terms energy: -235.495208
where:
bonds (distance) C4'-P energy: -54.820
bonds (distance) P-C4' energy: -52.922
flat angles C4'-P-C4' energy: -50.163
flat angles P-C4'-P energy: -37.802
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: 9, replica: 5
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -467.619837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.619837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.619837 (E_RNA)
where:
Base-Base interactions energy: -272.482
where: short stacking energy: -131.994
Base-Backbone interact. energy: 2.158
local terms energy: -197.295616
where:
bonds (distance) C4'-P energy: -59.012
bonds (distance) P-C4' energy: -56.794
flat angles C4'-P-C4' energy: -46.986
flat angles P-C4'-P energy: -24.373
tors. eta vs tors. theta energy: -10.130
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: 7
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -430.688219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.688219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.688219 (E_RNA)
where:
Base-Base interactions energy: -240.343
where: short stacking energy: -130.267
Base-Backbone interact. energy: 0.058
local terms energy: -190.402593
where:
bonds (distance) C4'-P energy: -43.410
bonds (distance) P-C4' energy: -53.919
flat angles C4'-P-C4' energy: -45.481
flat angles P-C4'-P energy: -34.251
tors. eta vs tors. theta energy: -13.341
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: 1
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -1196.618222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.618222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.618222 (E_RNA)
where:
Base-Base interactions energy: -835.525
where: short stacking energy: -364.390
Base-Backbone interact. energy: -0.612
local terms energy: -360.481711
where:
bonds (distance) C4'-P energy: -69.251
bonds (distance) P-C4' energy: -59.814
flat angles C4'-P-C4' energy: -77.090
flat angles P-C4'-P energy: -48.903
tors. eta vs tors. theta energy: -105.424
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: 8
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -1142.823388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.823388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.823388 (E_RNA)
where:
Base-Base interactions energy: -812.094
where: short stacking energy: -350.634
Base-Backbone interact. energy: 4.892
local terms energy: -335.621841
where:
bonds (distance) C4'-P energy: -63.906
bonds (distance) P-C4' energy: -59.888
flat angles C4'-P-C4' energy: -69.570
flat angles P-C4'-P energy: -48.334
tors. eta vs tors. theta energy: -93.924
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: 358
Temperature: 1.000000
Total energy: -1092.726645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.726645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.726645 (E_RNA)
where:
Base-Base interactions energy: -745.812
where: short stacking energy: -307.478
Base-Backbone interact. energy: -0.653
local terms energy: -346.260720
where:
bonds (distance) C4'-P energy: -68.590
bonds (distance) P-C4' energy: -56.038
flat angles C4'-P-C4' energy: -78.565
flat angles P-C4'-P energy: -45.470
tors. eta vs tors. theta energy: -97.597
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: 2
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -1044.906976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.906976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.906976 (E_RNA)
where:
Base-Base interactions energy: -713.149
where: short stacking energy: -304.529
Base-Backbone interact. energy: -0.524
local terms energy: -331.234414
where:
bonds (distance) C4'-P energy: -70.854
bonds (distance) P-C4' energy: -60.352
flat angles C4'-P-C4' energy: -67.166
flat angles P-C4'-P energy: -49.717
tors. eta vs tors. theta energy: -83.145
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: 3
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -890.362851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.362851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.362851 (E_RNA)
where:
Base-Base interactions energy: -589.879
where: short stacking energy: -263.941
Base-Backbone interact. energy: -0.714
local terms energy: -299.770406
where:
bonds (distance) C4'-P energy: -72.626
bonds (distance) P-C4' energy: -56.112
flat angles C4'-P-C4' energy: -58.752
flat angles P-C4'-P energy: -38.200
tors. eta vs tors. theta energy: -74.080
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: 4
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -919.985965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.985965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.985965 (E_RNA)
where:
Base-Base interactions energy: -631.262
where: short stacking energy: -277.511
Base-Backbone interact. energy: -1.356
local terms energy: -287.368158
where:
bonds (distance) C4'-P energy: -51.386
bonds (distance) P-C4' energy: -59.898
flat angles C4'-P-C4' energy: -56.274
flat angles P-C4'-P energy: -46.846
tors. eta vs tors. theta energy: -72.965
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: 7, replica: 9
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -808.399541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.399541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.399541 (E_RNA)
where:
Base-Base interactions energy: -545.720
where: short stacking energy: -248.856
Base-Backbone interact. energy: 0.210
local terms energy: -262.890065
where:
bonds (distance) C4'-P energy: -52.127
bonds (distance) P-C4' energy: -49.256
flat angles C4'-P-C4' energy: -66.292
flat angles P-C4'-P energy: -38.726
tors. eta vs tors. theta energy: -56.490
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: 6
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -703.681205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.681205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.681205 (E_RNA)
where:
Base-Base interactions energy: -438.073
where: short stacking energy: -202.118
Base-Backbone interact. energy: -1.274
local terms energy: -264.334176
where:
bonds (distance) C4'-P energy: -56.836
bonds (distance) P-C4' energy: -53.418
flat angles C4'-P-C4' energy: -63.048
flat angles P-C4'-P energy: -49.447
tors. eta vs tors. theta energy: -41.585
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: 5
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -441.907363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.907363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.907363 (E_RNA)
where:
Base-Base interactions energy: -228.943
where: short stacking energy: -123.685
Base-Backbone interact. energy: -0.452
local terms energy: -212.511636
where:
bonds (distance) C4'-P energy: -48.264
bonds (distance) P-C4' energy: -65.968
flat angles C4'-P-C4' energy: -48.786
flat angles P-C4'-P energy: -32.714
tors. eta vs tors. theta energy: -16.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -386.086513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.086513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.086513 (E_RNA)
where:
Base-Base interactions energy: -199.624
where: short stacking energy: -117.448
Base-Backbone interact. energy: -0.809
local terms energy: -185.653164
where:
bonds (distance) C4'-P energy: -52.569
bonds (distance) P-C4' energy: -52.752
flat angles C4'-P-C4' energy: -46.607
flat angles P-C4'-P energy: -28.519
tors. eta vs tors. theta energy: -5.207
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: 1
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -1199.794154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.794154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.794154 (E_RNA)
where:
Base-Base interactions energy: -835.333
where: short stacking energy: -366.228
Base-Backbone interact. energy: -0.243
local terms energy: -364.218336
where:
bonds (distance) C4'-P energy: -68.633
bonds (distance) P-C4' energy: -59.296
flat angles C4'-P-C4' energy: -75.830
flat angles P-C4'-P energy: -49.420
tors. eta vs tors. theta energy: -111.040
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: 8
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -1120.890774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.890774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.890774 (E_RNA)
where:
Base-Base interactions energy: -781.424
where: short stacking energy: -323.607
Base-Backbone interact. energy: -2.012
local terms energy: -337.454391
where:
bonds (distance) C4'-P energy: -60.202
bonds (distance) P-C4' energy: -69.718
flat angles C4'-P-C4' energy: -80.111
flat angles P-C4'-P energy: -42.647
tors. eta vs tors. theta energy: -84.776
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: 10
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -1102.064259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.064259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.064259 (E_RNA)
where:
Base-Base interactions energy: -757.297
where: short stacking energy: -341.764
Base-Backbone interact. energy: -1.817
local terms energy: -342.949630
where:
bonds (distance) C4'-P energy: -54.990
bonds (distance) P-C4' energy: -62.834
flat angles C4'-P-C4' energy: -70.794
flat angles P-C4'-P energy: -53.632
tors. eta vs tors. theta energy: -100.700
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: 2
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -1040.114160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.114160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.114160 (E_RNA)
where:
Base-Base interactions energy: -715.217
where: short stacking energy: -311.124
Base-Backbone interact. energy: -0.404
local terms energy: -324.492462
where:
bonds (distance) C4'-P energy: -57.079
bonds (distance) P-C4' energy: -53.787
flat angles C4'-P-C4' energy: -69.179
flat angles P-C4'-P energy: -48.366
tors. eta vs tors. theta energy: -96.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -895.258390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.258390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.258390 (E_RNA)
where:
Base-Base interactions energy: -590.634
where: short stacking energy: -262.484
Base-Backbone interact. energy: -1.177
local terms energy: -303.447263
where:
bonds (distance) C4'-P energy: -71.213
bonds (distance) P-C4' energy: -54.860
flat angles C4'-P-C4' energy: -68.271
flat angles P-C4'-P energy: -44.990
tors. eta vs tors. theta energy: -64.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -947.301084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.301084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.301084 (E_RNA)
where:
Base-Base interactions energy: -658.310
where: short stacking energy: -286.244
Base-Backbone interact. energy: -0.644
local terms energy: -288.347214
where:
bonds (distance) C4'-P energy: -56.135
bonds (distance) P-C4' energy: -64.811
flat angles C4'-P-C4' energy: -67.621
flat angles P-C4'-P energy: -28.823
tors. eta vs tors. theta energy: -70.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -806.895334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.895334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.895334 (E_RNA)
where:
Base-Base interactions energy: -546.535
where: short stacking energy: -227.342
Base-Backbone interact. energy: -3.039
local terms energy: -257.321184
where:
bonds (distance) C4'-P energy: -44.916
bonds (distance) P-C4' energy: -58.868
flat angles C4'-P-C4' energy: -60.673
flat angles P-C4'-P energy: -39.392
tors. eta vs tors. theta energy: -53.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -720.765097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.765097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.765097 (E_RNA)
where:
Base-Base interactions energy: -489.904
where: short stacking energy: -218.294
Base-Backbone interact. energy: -0.279
local terms energy: -230.581881
where:
bonds (distance) C4'-P energy: -57.304
bonds (distance) P-C4' energy: -42.020
flat angles C4'-P-C4' energy: -60.402
flat angles P-C4'-P energy: -28.423
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: 9, replica: 5
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -468.746483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.746483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.746483 (E_RNA)
where:
Base-Base interactions energy: -254.752
where: short stacking energy: -135.601
Base-Backbone interact. energy: 0.656
local terms energy: -214.650233
where:
bonds (distance) C4'-P energy: -54.129
bonds (distance) P-C4' energy: -55.104
flat angles C4'-P-C4' energy: -58.229
flat angles P-C4'-P energy: -35.077
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: 10, replica: 7
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -400.012709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.012709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.012709 (E_RNA)
where:
Base-Base interactions energy: -212.882
where: short stacking energy: -117.401
Base-Backbone interact. energy: 0.037
local terms energy: -187.167456
where:
bonds (distance) C4'-P energy: -50.215
bonds (distance) P-C4' energy: -54.560
flat angles C4'-P-C4' energy: -48.721
flat angles P-C4'-P energy: -33.263
tors. eta vs tors. theta energy: -0.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -1177.362299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.362299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.362299 (E_RNA)
where:
Base-Base interactions energy: -814.254
where: short stacking energy: -369.300
Base-Backbone interact. energy: 0.821
local terms energy: -363.929317
where:
bonds (distance) C4'-P energy: -66.929
bonds (distance) P-C4' energy: -68.351
flat angles C4'-P-C4' energy: -67.115
flat angles P-C4'-P energy: -51.046
tors. eta vs tors. theta energy: -110.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -1109.453896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.453896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.453896 (E_RNA)
where:
Base-Base interactions energy: -777.288
where: short stacking energy: -312.860
Base-Backbone interact. energy: 7.037
local terms energy: -339.203094
where:
bonds (distance) C4'-P energy: -63.411
bonds (distance) P-C4' energy: -65.772
flat angles C4'-P-C4' energy: -77.090
flat angles P-C4'-P energy: -48.795
tors. eta vs tors. theta energy: -84.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -1082.295837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.295837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.295837 (E_RNA)
where:
Base-Base interactions energy: -744.625
where: short stacking energy: -334.611
Base-Backbone interact. energy: -0.830
local terms energy: -336.841769
where:
bonds (distance) C4'-P energy: -64.177
bonds (distance) P-C4' energy: -65.713
flat angles C4'-P-C4' energy: -66.315
flat angles P-C4'-P energy: -48.005
tors. eta vs tors. theta energy: -92.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -1074.366353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.366353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.366353 (E_RNA)
where:
Base-Base interactions energy: -749.088
where: short stacking energy: -306.153
Base-Backbone interact. energy: -0.582
local terms energy: -324.695479
where:
bonds (distance) C4'-P energy: -62.412
bonds (distance) P-C4' energy: -57.074
flat angles C4'-P-C4' energy: -74.049
flat angles P-C4'-P energy: -50.556
tors. eta vs tors. theta energy: -80.604
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: 4
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -996.883291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.883291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.883291 (E_RNA)
where:
Base-Base interactions energy: -689.686
where: short stacking energy: -296.812
Base-Backbone interact. energy: -0.479
local terms energy: -306.718517
where:
bonds (distance) C4'-P energy: -52.785
bonds (distance) P-C4' energy: -64.563
flat angles C4'-P-C4' energy: -69.669
flat angles P-C4'-P energy: -37.986
tors. eta vs tors. theta energy: -81.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -894.660942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.660942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.660942 (E_RNA)
where:
Base-Base interactions energy: -592.201
where: short stacking energy: -262.897
Base-Backbone interact. energy: -0.904
local terms energy: -301.556049
where:
bonds (distance) C4'-P energy: -65.506
bonds (distance) P-C4' energy: -58.541
flat angles C4'-P-C4' energy: -60.903
flat angles P-C4'-P energy: -50.362
tors. eta vs tors. theta energy: -66.244
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: 9
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -835.415137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.415137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.415137 (E_RNA)
where:
Base-Base interactions energy: -586.144
where: short stacking energy: -226.312
Base-Backbone interact. energy: -0.579
local terms energy: -248.691852
where:
bonds (distance) C4'-P energy: -47.523
bonds (distance) P-C4' energy: -59.944
flat angles C4'-P-C4' energy: -55.336
flat angles P-C4'-P energy: -35.855
tors. eta vs tors. theta energy: -50.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -725.353309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.353309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.353309 (E_RNA)
where:
Base-Base interactions energy: -468.108
where: short stacking energy: -221.646
Base-Backbone interact. energy: -0.806
local terms energy: -256.438882
where:
bonds (distance) C4'-P energy: -53.379
bonds (distance) P-C4' energy: -62.302
flat angles C4'-P-C4' energy: -52.121
flat angles P-C4'-P energy: -34.546
tors. eta vs tors. theta energy: -54.091
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: 9, replica: 5
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -447.871308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.871308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.871308 (E_RNA)
where:
Base-Base interactions energy: -237.991
where: short stacking energy: -141.433
Base-Backbone interact. energy: -1.701
local terms energy: -208.179660
where:
bonds (distance) C4'-P energy: -45.135
bonds (distance) P-C4' energy: -52.750
flat angles C4'-P-C4' energy: -54.040
flat angles P-C4'-P energy: -29.357
tors. eta vs tors. theta energy: -26.897
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: 7
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -403.914568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.914568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.914568 (E_RNA)
where:
Base-Base interactions energy: -204.273
where: short stacking energy: -121.948
Base-Backbone interact. energy: 0.885
local terms energy: -200.525970
where:
bonds (distance) C4'-P energy: -43.609
bonds (distance) P-C4' energy: -60.439
flat angles C4'-P-C4' energy: -58.884
flat angles P-C4'-P energy: -33.347
tors. eta vs tors. theta energy: -4.247
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: 1
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -1164.487497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.487497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.487497 (E_RNA)
where:
Base-Base interactions energy: -813.801
where: short stacking energy: -354.330
Base-Backbone interact. energy: -0.311
local terms energy: -350.374598
where:
bonds (distance) C4'-P energy: -63.654
bonds (distance) P-C4' energy: -56.687
flat angles C4'-P-C4' energy: -80.503
flat angles P-C4'-P energy: -48.381
tors. eta vs tors. theta energy: -101.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -1112.126992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.126992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.126992 (E_RNA)
where:
Base-Base interactions energy: -804.499
where: short stacking energy: -326.881
Base-Backbone interact. energy: 6.764
local terms energy: -314.391452
where:
bonds (distance) C4'-P energy: -60.094
bonds (distance) P-C4' energy: -59.436
flat angles C4'-P-C4' energy: -71.505
flat angles P-C4'-P energy: -44.823
tors. eta vs tors. theta energy: -78.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -1073.613152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.613152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.613152 (E_RNA)
where:
Base-Base interactions energy: -732.815
where: short stacking energy: -325.862
Base-Backbone interact. energy: -0.526
local terms energy: -340.272701
where:
bonds (distance) C4'-P energy: -61.042
bonds (distance) P-C4' energy: -58.368
flat angles C4'-P-C4' energy: -80.932
flat angles P-C4'-P energy: -42.624
tors. eta vs tors. theta energy: -97.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -1013.909348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.909348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.909348 (E_RNA)
where:
Base-Base interactions energy: -701.752
where: short stacking energy: -315.485
Base-Backbone interact. energy: -2.260
local terms energy: -309.897578
where:
bonds (distance) C4'-P energy: -53.410
bonds (distance) P-C4' energy: -62.975
flat angles C4'-P-C4' energy: -68.526
flat angles P-C4'-P energy: -36.971
tors. eta vs tors. theta energy: -88.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -1034.419350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.419350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.419350 (E_RNA)
where:
Base-Base interactions energy: -735.270
where: short stacking energy: -305.889
Base-Backbone interact. energy: -0.800
local terms energy: -298.349832
where:
bonds (distance) C4'-P energy: -55.729
bonds (distance) P-C4' energy: -56.263
flat angles C4'-P-C4' energy: -60.039
flat angles P-C4'-P energy: -38.026
tors. eta vs tors. theta energy: -88.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -861.747397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.747397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.747397 (E_RNA)
where:
Base-Base interactions energy: -565.677
where: short stacking energy: -266.106
Base-Backbone interact. energy: 0.401
local terms energy: -296.470747
where:
bonds (distance) C4'-P energy: -55.709
bonds (distance) P-C4' energy: -68.567
flat angles C4'-P-C4' energy: -56.453
flat angles P-C4'-P energy: -49.684
tors. eta vs tors. theta energy: -66.058
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: 9
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -761.935273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.935273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.935273 (E_RNA)
where:
Base-Base interactions energy: -518.337
where: short stacking energy: -206.350
Base-Backbone interact. energy: 2.335
local terms energy: -245.933239
where:
bonds (distance) C4'-P energy: -43.014
bonds (distance) P-C4' energy: -60.949
flat angles C4'-P-C4' energy: -59.261
flat angles P-C4'-P energy: -44.310
tors. eta vs tors. theta energy: -38.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -761.812746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.812746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.812746 (E_RNA)
where:
Base-Base interactions energy: -490.683
where: short stacking energy: -211.630
Base-Backbone interact. energy: -2.459
local terms energy: -268.670293
where:
bonds (distance) C4'-P energy: -55.143
bonds (distance) P-C4' energy: -61.402
flat angles C4'-P-C4' energy: -70.079
flat angles P-C4'-P energy: -35.302
tors. eta vs tors. theta energy: -46.745
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: 5
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -450.853847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.853847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.853847 (E_RNA)
where:
Base-Base interactions energy: -233.269
where: short stacking energy: -136.637
Base-Backbone interact. energy: -0.809
local terms energy: -216.775413
where:
bonds (distance) C4'-P energy: -54.659
bonds (distance) P-C4' energy: -54.750
flat angles C4'-P-C4' energy: -47.058
flat angles P-C4'-P energy: -43.228
tors. eta vs tors. theta energy: -17.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -411.661725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.661725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.661725 (E_RNA)
where:
Base-Base interactions energy: -217.698
where: short stacking energy: -106.348
Base-Backbone interact. energy: 0.644
local terms energy: -194.607760
where:
bonds (distance) C4'-P energy: -55.998
bonds (distance) P-C4' energy: -61.240
flat angles C4'-P-C4' energy: -41.111
flat angles P-C4'-P energy: -31.284
tors. eta vs tors. theta energy: -4.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -1196.274901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.274901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.274901 (E_RNA)
where:
Base-Base interactions energy: -828.104
where: short stacking energy: -353.701
Base-Backbone interact. energy: 1.139
local terms energy: -369.310573
where:
bonds (distance) C4'-P energy: -60.048
bonds (distance) P-C4' energy: -66.948
flat angles C4'-P-C4' energy: -77.162
flat angles P-C4'-P energy: -58.639
tors. eta vs tors. theta energy: -106.513
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: 8
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -1132.160827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.160827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.160827 (E_RNA)
where:
Base-Base interactions energy: -778.781
where: short stacking energy: -317.919
Base-Backbone interact. energy: -1.569
local terms energy: -351.810417
where:
bonds (distance) C4'-P energy: -70.629
bonds (distance) P-C4' energy: -69.128
flat angles C4'-P-C4' energy: -76.429
flat angles P-C4'-P energy: -50.568
tors. eta vs tors. theta energy: -85.056
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: 2
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -1080.392533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.392533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.392533 (E_RNA)
where:
Base-Base interactions energy: -744.199
where: short stacking energy: -338.635
Base-Backbone interact. energy: 0.107
local terms energy: -336.300724
where:
bonds (distance) C4'-P energy: -53.666
bonds (distance) P-C4' energy: -64.063
flat angles C4'-P-C4' energy: -75.086
flat angles P-C4'-P energy: -41.660
tors. eta vs tors. theta energy: -101.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -1071.425964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.425964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.425964 (E_RNA)
where:
Base-Base interactions energy: -745.488
where: short stacking energy: -310.496
Base-Backbone interact. energy: -2.555
local terms energy: -323.382335
where:
bonds (distance) C4'-P energy: -52.942
bonds (distance) P-C4' energy: -59.257
flat angles C4'-P-C4' energy: -69.960
flat angles P-C4'-P energy: -52.460
tors. eta vs tors. theta energy: -88.762
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: 10
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -946.836883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.836883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.836883 (E_RNA)
where:
Base-Base interactions energy: -645.607
where: short stacking energy: -292.630
Base-Backbone interact. energy: -2.111
local terms energy: -299.118839
where:
bonds (distance) C4'-P energy: -52.124
bonds (distance) P-C4' energy: -58.499
flat angles C4'-P-C4' energy: -65.164
flat angles P-C4'-P energy: -43.746
tors. eta vs tors. theta energy: -79.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -849.485493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.485493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.485493 (E_RNA)
where:
Base-Base interactions energy: -549.351
where: short stacking energy: -258.859
Base-Backbone interact. energy: -1.442
local terms energy: -298.693008
where:
bonds (distance) C4'-P energy: -58.074
bonds (distance) P-C4' energy: -52.048
flat angles C4'-P-C4' energy: -66.785
flat angles P-C4'-P energy: -50.916
tors. eta vs tors. theta energy: -70.870
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: 9
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -751.927830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.927830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.927830 (E_RNA)
where:
Base-Base interactions energy: -489.081
where: short stacking energy: -216.443
Base-Backbone interact. energy: -1.469
local terms energy: -261.377421
where:
bonds (distance) C4'-P energy: -52.412
bonds (distance) P-C4' energy: -59.919
flat angles C4'-P-C4' energy: -64.627
flat angles P-C4'-P energy: -40.333
tors. eta vs tors. theta energy: -44.086
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: 6
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -708.895434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.895434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.895434 (E_RNA)
where:
Base-Base interactions energy: -490.130
where: short stacking energy: -219.759
Base-Backbone interact. energy: -2.186
local terms energy: -216.579420
where:
bonds (distance) C4'-P energy: -52.654
bonds (distance) P-C4' energy: -44.570
flat angles C4'-P-C4' energy: -47.819
flat angles P-C4'-P energy: -32.573
tors. eta vs tors. theta energy: -38.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -424.146416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.146416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.146416 (E_RNA)
where:
Base-Base interactions energy: -220.815
where: short stacking energy: -123.868
Base-Backbone interact. energy: -0.263
local terms energy: -203.068281
where:
bonds (distance) C4'-P energy: -54.585
bonds (distance) P-C4' energy: -57.753
flat angles C4'-P-C4' energy: -41.306
flat angles P-C4'-P energy: -30.709
tors. eta vs tors. theta energy: -18.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -437.358055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.358055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.358055 (E_RNA)
where:
Base-Base interactions energy: -235.907
where: short stacking energy: -131.223
Base-Backbone interact. energy: 3.701
local terms energy: -205.152261
where:
bonds (distance) C4'-P energy: -57.923
bonds (distance) P-C4' energy: -50.230
flat angles C4'-P-C4' energy: -47.359
flat angles P-C4'-P energy: -37.152
tors. eta vs tors. theta energy: -12.490
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: 1, replica: 1
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -1198.219380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.219380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.219380 (E_RNA)
where:
Base-Base interactions energy: -829.809
where: short stacking energy: -369.255
Base-Backbone interact. energy: 0.074
local terms energy: -368.483937
where:
bonds (distance) C4'-P energy: -68.474
bonds (distance) P-C4' energy: -58.741
flat angles C4'-P-C4' energy: -73.072
flat angles P-C4'-P energy: -61.019
tors. eta vs tors. theta energy: -107.178
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: 8
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -1152.880013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.880013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.880013 (E_RNA)
where:
Base-Base interactions energy: -822.146
where: short stacking energy: -339.008
Base-Backbone interact. energy: 4.721
local terms energy: -335.454620
where:
bonds (distance) C4'-P energy: -58.780
bonds (distance) P-C4' energy: -64.259
flat angles C4'-P-C4' energy: -75.352
flat angles P-C4'-P energy: -47.140
tors. eta vs tors. theta energy: -89.924
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: 2
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -1095.138974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.138974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.138974 (E_RNA)
where:
Base-Base interactions energy: -764.624
where: short stacking energy: -338.182
Base-Backbone interact. energy: 0.146
local terms energy: -330.660952
where:
bonds (distance) C4'-P energy: -52.937
bonds (distance) P-C4' energy: -56.814
flat angles C4'-P-C4' energy: -71.655
flat angles P-C4'-P energy: -46.947
tors. eta vs tors. theta energy: -102.309
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: 4, replica: 4
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -1052.399288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.399288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.399288 (E_RNA)
where:
Base-Base interactions energy: -729.321
where: short stacking energy: -320.615
Base-Backbone interact. energy: -0.463
local terms energy: -322.615943
where:
bonds (distance) C4'-P energy: -58.654
bonds (distance) P-C4' energy: -62.354
flat angles C4'-P-C4' energy: -72.634
flat angles P-C4'-P energy: -38.619
tors. eta vs tors. theta energy: -90.355
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: 10
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -1017.708519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.708519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.708519 (E_RNA)
where:
Base-Base interactions energy: -686.070
where: short stacking energy: -301.683
Base-Backbone interact. energy: -0.081
local terms energy: -331.557023
where:
bonds (distance) C4'-P energy: -64.686
bonds (distance) P-C4' energy: -67.827
flat angles C4'-P-C4' energy: -62.732
flat angles P-C4'-P energy: -51.111
tors. eta vs tors. theta energy: -85.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -829.294891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.294891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.294891 (E_RNA)
where:
Base-Base interactions energy: -550.740
where: short stacking energy: -263.655
Base-Backbone interact. energy: -0.158
local terms energy: -278.396889
where:
bonds (distance) C4'-P energy: -46.513
bonds (distance) P-C4' energy: -51.374
flat angles C4'-P-C4' energy: -70.600
flat angles P-C4'-P energy: -40.275
tors. eta vs tors. theta energy: -69.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -789.477245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.477245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.477245 (E_RNA)
where:
Base-Base interactions energy: -525.125
where: short stacking energy: -229.096
Base-Backbone interact. energy: -0.900
local terms energy: -263.451784
where:
bonds (distance) C4'-P energy: -46.769
bonds (distance) P-C4' energy: -65.006
flat angles C4'-P-C4' energy: -64.845
flat angles P-C4'-P energy: -38.388
tors. eta vs tors. theta energy: -48.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -714.059956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.059956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.059956 (E_RNA)
where:
Base-Base interactions energy: -451.097
where: short stacking energy: -206.671
Base-Backbone interact. energy: -1.755
local terms energy: -261.208731
where:
bonds (distance) C4'-P energy: -53.278
bonds (distance) P-C4' energy: -62.612
flat angles C4'-P-C4' energy: -67.104
flat angles P-C4'-P energy: -33.629
tors. eta vs tors. theta energy: -44.586
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: 7
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -474.304382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.304382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.304382 (E_RNA)
where:
Base-Base interactions energy: -254.121
where: short stacking energy: -137.621
Base-Backbone interact. energy: -0.589
local terms energy: -219.593747
where:
bonds (distance) C4'-P energy: -50.856
bonds (distance) P-C4' energy: -61.375
flat angles C4'-P-C4' energy: -53.093
flat angles P-C4'-P energy: -33.209
tors. eta vs tors. theta energy: -21.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -433.540395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.540395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.540395 (E_RNA)
where:
Base-Base interactions energy: -223.708
where: short stacking energy: -125.997
Base-Backbone interact. energy: 0.233
local terms energy: -210.065486
where:
bonds (distance) C4'-P energy: -48.607
bonds (distance) P-C4' energy: -51.695
flat angles C4'-P-C4' energy: -62.966
flat angles P-C4'-P energy: -39.281
tors. eta vs tors. theta energy: -7.516
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: 1
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -1185.845423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.845423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.845423 (E_RNA)
where:
Base-Base interactions energy: -834.154
where: short stacking energy: -373.918
Base-Backbone interact. energy: -0.144
local terms energy: -351.547345
where:
bonds (distance) C4'-P energy: -57.231
bonds (distance) P-C4' energy: -62.873
flat angles C4'-P-C4' energy: -82.042
flat angles P-C4'-P energy: -43.089
tors. eta vs tors. theta energy: -106.312
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: 8
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -1115.935426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.935426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.935426 (E_RNA)
where:
Base-Base interactions energy: -781.259
where: short stacking energy: -320.160
Base-Backbone interact. energy: -1.425
local terms energy: -333.250749
where:
bonds (distance) C4'-P energy: -52.442
bonds (distance) P-C4' energy: -69.867
flat angles C4'-P-C4' energy: -76.518
flat angles P-C4'-P energy: -53.037
tors. eta vs tors. theta energy: -81.387
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: 2
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -1080.630217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.630217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.630217 (E_RNA)
where:
Base-Base interactions energy: -732.892
where: short stacking energy: -326.959
Base-Backbone interact. energy: -2.100
local terms energy: -345.638295
where:
bonds (distance) C4'-P energy: -58.528
bonds (distance) P-C4' energy: -69.801
flat angles C4'-P-C4' energy: -71.347
flat angles P-C4'-P energy: -51.027
tors. eta vs tors. theta energy: -94.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -1034.886702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.886702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.886702 (E_RNA)
where:
Base-Base interactions energy: -740.211
where: short stacking energy: -308.642
Base-Backbone interact. energy: 3.441
local terms energy: -298.116631
where:
bonds (distance) C4'-P energy: -56.983
bonds (distance) P-C4' energy: -56.054
flat angles C4'-P-C4' energy: -65.025
flat angles P-C4'-P energy: -42.715
tors. eta vs tors. theta energy: -77.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -995.628756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.628756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.628756 (E_RNA)
where:
Base-Base interactions energy: -663.418
where: short stacking energy: -290.131
Base-Backbone interact. energy: -1.348
local terms energy: -330.862425
where:
bonds (distance) C4'-P energy: -70.586
bonds (distance) P-C4' energy: -66.019
flat angles C4'-P-C4' energy: -66.032
flat angles P-C4'-P energy: -41.807
tors. eta vs tors. theta energy: -86.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -849.543578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.543578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.543578 (E_RNA)
where:
Base-Base interactions energy: -559.008
where: short stacking energy: -232.273
Base-Backbone interact. energy: -1.658
local terms energy: -288.877747
where:
bonds (distance) C4'-P energy: -63.799
bonds (distance) P-C4' energy: -61.863
flat angles C4'-P-C4' energy: -60.576
flat angles P-C4'-P energy: -44.259
tors. eta vs tors. theta energy: -58.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -799.569603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.569603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.569603 (E_RNA)
where:
Base-Base interactions energy: -546.426
where: short stacking energy: -217.807
Base-Backbone interact. energy: -2.017
local terms energy: -251.126428
where:
bonds (distance) C4'-P energy: -51.066
bonds (distance) P-C4' energy: -58.761
flat angles C4'-P-C4' energy: -51.279
flat angles P-C4'-P energy: -36.193
tors. eta vs tors. theta energy: -53.828
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: 6
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -720.319550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.319550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.319550 (E_RNA)
where:
Base-Base interactions energy: -457.576
where: short stacking energy: -219.906
Base-Backbone interact. energy: 1.081
local terms energy: -263.824980
where:
bonds (distance) C4'-P energy: -49.976
bonds (distance) P-C4' energy: -63.430
flat angles C4'-P-C4' energy: -68.571
flat angles P-C4'-P energy: -37.183
tors. eta vs tors. theta energy: -44.665
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: 5
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -477.244936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.244936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.244936 (E_RNA)
where:
Base-Base interactions energy: -255.279
where: short stacking energy: -139.971
Base-Backbone interact. energy: -1.994
local terms energy: -219.971614
where:
bonds (distance) C4'-P energy: -51.782
bonds (distance) P-C4' energy: -59.837
flat angles C4'-P-C4' energy: -52.068
flat angles P-C4'-P energy: -29.704
tors. eta vs tors. theta energy: -26.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -456.937589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.937589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.937589 (E_RNA)
where:
Base-Base interactions energy: -227.819
where: short stacking energy: -117.363
Base-Backbone interact. energy: -0.179
local terms energy: -228.940118
where:
bonds (distance) C4'-P energy: -54.669
bonds (distance) P-C4' energy: -67.002
flat angles C4'-P-C4' energy: -53.549
flat angles P-C4'-P energy: -41.596
tors. eta vs tors. theta energy: -12.124
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: 1
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -1198.611146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.611146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.611146 (E_RNA)
where:
Base-Base interactions energy: -832.404
where: short stacking energy: -362.552
Base-Backbone interact. energy: 0.108
local terms energy: -366.314929
where:
bonds (distance) C4'-P energy: -66.531
bonds (distance) P-C4' energy: -70.008
flat angles C4'-P-C4' energy: -72.547
flat angles P-C4'-P energy: -52.808
tors. eta vs tors. theta energy: -104.422
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: 8
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -1141.318737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.318737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.318737 (E_RNA)
where:
Base-Base interactions energy: -805.603
where: short stacking energy: -332.277
Base-Backbone interact. energy: 6.196
local terms energy: -341.912264
where:
bonds (distance) C4'-P energy: -63.013
bonds (distance) P-C4' energy: -65.819
flat angles C4'-P-C4' energy: -71.739
flat angles P-C4'-P energy: -53.555
tors. eta vs tors. theta energy: -87.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -1095.189377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.189377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.189377 (E_RNA)
where:
Base-Base interactions energy: -758.496
where: short stacking energy: -332.884
Base-Backbone interact. energy: 1.814
local terms energy: -338.507369
where:
bonds (distance) C4'-P energy: -61.865
bonds (distance) P-C4' energy: -55.426
flat angles C4'-P-C4' energy: -68.845
flat angles P-C4'-P energy: -56.709
tors. eta vs tors. theta energy: -95.662
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: 4
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -1054.548474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.548474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.548474 (E_RNA)
where:
Base-Base interactions energy: -718.519
where: short stacking energy: -309.115
Base-Backbone interact. energy: -1.556
local terms energy: -334.473217
where:
bonds (distance) C4'-P energy: -60.248
bonds (distance) P-C4' energy: -66.085
flat angles C4'-P-C4' energy: -71.572
flat angles P-C4'-P energy: -50.235
tors. eta vs tors. theta energy: -86.333
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: 365
Temperature: 1.100000
Total energy: -978.632516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.632516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.632516 (E_RNA)
where:
Base-Base interactions energy: -661.376
where: short stacking energy: -287.097
Base-Backbone interact. energy: -1.349
local terms energy: -315.907733
where:
bonds (distance) C4'-P energy: -52.965
bonds (distance) P-C4' energy: -66.554
flat angles C4'-P-C4' energy: -64.036
flat angles P-C4'-P energy: -48.929
tors. eta vs tors. theta energy: -83.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -848.051134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.051134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.051134 (E_RNA)
where:
Base-Base interactions energy: -586.303
where: short stacking energy: -257.389
Base-Backbone interact. energy: -1.948
local terms energy: -259.800427
where:
bonds (distance) C4'-P energy: -59.290
bonds (distance) P-C4' energy: -59.880
flat angles C4'-P-C4' energy: -56.492
flat angles P-C4'-P energy: -25.885
tors. eta vs tors. theta energy: -58.253
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: 365
Temperature: 1.200000
Total energy: -838.352212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.352212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.352212 (E_RNA)
where:
Base-Base interactions energy: -549.431
where: short stacking energy: -255.674
Base-Backbone interact. energy: -0.822
local terms energy: -288.099022
where:
bonds (distance) C4'-P energy: -62.796
bonds (distance) P-C4' energy: -59.838
flat angles C4'-P-C4' energy: -57.689
flat angles P-C4'-P energy: -48.822
tors. eta vs tors. theta energy: -58.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -733.128860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.128860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.128860 (E_RNA)
where:
Base-Base interactions energy: -502.294
where: short stacking energy: -229.887
Base-Backbone interact. energy: 5.901
local terms energy: -236.735587
where:
bonds (distance) C4'-P energy: -48.142
bonds (distance) P-C4' energy: -52.568
flat angles C4'-P-C4' energy: -62.076
flat angles P-C4'-P energy: -20.566
tors. eta vs tors. theta energy: -53.383
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: 9, replica: 5
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -413.556147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.556147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.556147 (E_RNA)
where:
Base-Base interactions energy: -224.225
where: short stacking energy: -104.886
Base-Backbone interact. energy: -2.172
local terms energy: -187.159709
where:
bonds (distance) C4'-P energy: -69.372
bonds (distance) P-C4' energy: -65.665
flat angles C4'-P-C4' energy: -41.182
flat angles P-C4'-P energy: -19.049
tors. eta vs tors. theta energy: 8.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -463.388189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.388189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.388189 (E_RNA)
where:
Base-Base interactions energy: -230.263
where: short stacking energy: -152.535
Base-Backbone interact. energy: 0.720
local terms energy: -233.844914
where:
bonds (distance) C4'-P energy: -65.326
bonds (distance) P-C4' energy: -62.704
flat angles C4'-P-C4' energy: -58.982
flat angles P-C4'-P energy: -27.680
tors. eta vs tors. theta energy: -19.153
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: 1
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -1195.049440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.049440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.049440 (E_RNA)
where:
Base-Base interactions energy: -828.757
where: short stacking energy: -360.005
Base-Backbone interact. energy: -0.330
local terms energy: -365.962596
where:
bonds (distance) C4'-P energy: -65.337
bonds (distance) P-C4' energy: -64.850
flat angles C4'-P-C4' energy: -76.260
flat angles P-C4'-P energy: -53.370
tors. eta vs tors. theta energy: -106.146
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: 8
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -1128.603548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.603548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.603548 (E_RNA)
where:
Base-Base interactions energy: -796.749
where: short stacking energy: -323.455
Base-Backbone interact. energy: 3.750
local terms energy: -335.604725
where:
bonds (distance) C4'-P energy: -62.843
bonds (distance) P-C4' energy: -65.819
flat angles C4'-P-C4' energy: -71.516
flat angles P-C4'-P energy: -51.911
tors. eta vs tors. theta energy: -83.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -1126.733930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.733930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.733930 (E_RNA)
where:
Base-Base interactions energy: -764.087
where: short stacking energy: -333.664
Base-Backbone interact. energy: -2.506
local terms energy: -360.140999
where:
bonds (distance) C4'-P energy: -66.902
bonds (distance) P-C4' energy: -71.462
flat angles C4'-P-C4' energy: -77.447
flat angles P-C4'-P energy: -54.522
tors. eta vs tors. theta energy: -89.808
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: 4
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -1028.418134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.418134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.418134 (E_RNA)
where:
Base-Base interactions energy: -713.360
where: short stacking energy: -299.701
Base-Backbone interact. energy: -1.257
local terms energy: -313.801003
where:
bonds (distance) C4'-P energy: -60.297
bonds (distance) P-C4' energy: -58.830
flat angles C4'-P-C4' energy: -71.631
flat angles P-C4'-P energy: -45.352
tors. eta vs tors. theta energy: -77.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -988.365771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.365771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.365771 (E_RNA)
where:
Base-Base interactions energy: -670.440
where: short stacking energy: -298.125
Base-Backbone interact. energy: -1.881
local terms energy: -316.043975
where:
bonds (distance) C4'-P energy: -63.403
bonds (distance) P-C4' energy: -53.474
flat angles C4'-P-C4' energy: -66.673
flat angles P-C4'-P energy: -45.727
tors. eta vs tors. theta energy: -86.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -852.502522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.502522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.502522 (E_RNA)
where:
Base-Base interactions energy: -564.437
where: short stacking energy: -251.295
Base-Backbone interact. energy: -0.893
local terms energy: -287.172452
where:
bonds (distance) C4'-P energy: -63.348
bonds (distance) P-C4' energy: -63.937
flat angles C4'-P-C4' energy: -66.628
flat angles P-C4'-P energy: -29.137
tors. eta vs tors. theta energy: -64.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -813.922254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.922254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.922254 (E_RNA)
where:
Base-Base interactions energy: -528.850
where: short stacking energy: -222.345
Base-Backbone interact. energy: -0.328
local terms energy: -284.744802
where:
bonds (distance) C4'-P energy: -55.939
bonds (distance) P-C4' energy: -73.063
flat angles C4'-P-C4' energy: -60.971
flat angles P-C4'-P energy: -47.239
tors. eta vs tors. theta energy: -47.531
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: 8, replica: 6
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -750.837816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.837816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.837816 (E_RNA)
where:
Base-Base interactions energy: -502.744
where: short stacking energy: -249.582
Base-Backbone interact. energy: -1.004
local terms energy: -247.090136
where:
bonds (distance) C4'-P energy: -50.814
bonds (distance) P-C4' energy: -54.305
flat angles C4'-P-C4' energy: -58.802
flat angles P-C4'-P energy: -32.047
tors. eta vs tors. theta energy: -51.123
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: 7
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -444.844571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.844571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.844571 (E_RNA)
where:
Base-Base interactions energy: -224.724
where: short stacking energy: -116.322
Base-Backbone interact. energy: -1.380
local terms energy: -218.741073
where:
bonds (distance) C4'-P energy: -47.811
bonds (distance) P-C4' energy: -66.222
flat angles C4'-P-C4' energy: -54.336
flat angles P-C4'-P energy: -25.385
tors. eta vs tors. theta energy: -24.987
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: 10, replica: 5
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -398.599837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.599837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.599837 (E_RNA)
where:
Base-Base interactions energy: -223.433
where: short stacking energy: -122.554
Base-Backbone interact. energy: -1.902
local terms energy: -173.264555
where:
bonds (distance) C4'-P energy: -33.946
bonds (distance) P-C4' energy: -58.546
flat angles C4'-P-C4' energy: -55.357
flat angles P-C4'-P energy: -32.687
tors. eta vs tors. theta energy: 7.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -1186.448496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.448496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.448496 (E_RNA)
where:
Base-Base interactions energy: -826.790
where: short stacking energy: -361.231
Base-Backbone interact. energy: 1.109
local terms energy: -360.767423
where:
bonds (distance) C4'-P energy: -64.948
bonds (distance) P-C4' energy: -69.155
flat angles C4'-P-C4' energy: -74.396
flat angles P-C4'-P energy: -52.651
tors. eta vs tors. theta energy: -99.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -1117.095900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.095900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.095900 (E_RNA)
where:
Base-Base interactions energy: -779.246
where: short stacking energy: -326.385
Base-Backbone interact. energy: 4.934
local terms energy: -342.783583
where:
bonds (distance) C4'-P energy: -58.328
bonds (distance) P-C4' energy: -65.372
flat angles C4'-P-C4' energy: -76.376
flat angles P-C4'-P energy: -54.687
tors. eta vs tors. theta energy: -88.021
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: 2
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -1130.807989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.807989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.807989 (E_RNA)
where:
Base-Base interactions energy: -769.736
where: short stacking energy: -346.634
Base-Backbone interact. energy: 0.055
local terms energy: -361.127509
where:
bonds (distance) C4'-P energy: -64.858
bonds (distance) P-C4' energy: -71.808
flat angles C4'-P-C4' energy: -68.752
flat angles P-C4'-P energy: -56.227
tors. eta vs tors. theta energy: -99.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -1018.419098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.419098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.419098 (E_RNA)
where:
Base-Base interactions energy: -711.561
where: short stacking energy: -296.228
Base-Backbone interact. energy: -2.589
local terms energy: -304.269417
where:
bonds (distance) C4'-P energy: -60.637
bonds (distance) P-C4' energy: -51.351
flat angles C4'-P-C4' energy: -58.718
flat angles P-C4'-P energy: -49.846
tors. eta vs tors. theta energy: -83.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -989.767518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.767518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.767518 (E_RNA)
where:
Base-Base interactions energy: -677.468
where: short stacking energy: -294.320
Base-Backbone interact. energy: -0.539
local terms energy: -311.760608
where:
bonds (distance) C4'-P energy: -51.681
bonds (distance) P-C4' energy: -68.387
flat angles C4'-P-C4' energy: -60.742
flat angles P-C4'-P energy: -53.458
tors. eta vs tors. theta energy: -77.492
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: 9
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -889.653299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.653299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.653299 (E_RNA)
where:
Base-Base interactions energy: -594.383
where: short stacking energy: -273.864
Base-Backbone interact. energy: -0.969
local terms energy: -294.301497
where:
bonds (distance) C4'-P energy: -43.407
bonds (distance) P-C4' energy: -63.332
flat angles C4'-P-C4' energy: -66.623
flat angles P-C4'-P energy: -46.132
tors. eta vs tors. theta energy: -74.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -867.846581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.846581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.846581 (E_RNA)
where:
Base-Base interactions energy: -576.966
where: short stacking energy: -263.208
Base-Backbone interact. energy: -0.104
local terms energy: -290.776157
where:
bonds (distance) C4'-P energy: -58.167
bonds (distance) P-C4' energy: -53.975
flat angles C4'-P-C4' energy: -71.758
flat angles P-C4'-P energy: -33.828
tors. eta vs tors. theta energy: -73.048
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: 6
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -730.108665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.108665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.108665 (E_RNA)
where:
Base-Base interactions energy: -470.255
where: short stacking energy: -216.554
Base-Backbone interact. energy: -0.687
local terms energy: -259.166846
where:
bonds (distance) C4'-P energy: -50.129
bonds (distance) P-C4' energy: -58.688
flat angles C4'-P-C4' energy: -66.825
flat angles P-C4'-P energy: -26.024
tors. eta vs tors. theta energy: -57.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -449.153316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.153316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.153316 (E_RNA)
where:
Base-Base interactions energy: -244.383
where: short stacking energy: -140.974
Base-Backbone interact. energy: 1.362
local terms energy: -206.131901
where:
bonds (distance) C4'-P energy: -56.330
bonds (distance) P-C4' energy: -44.773
flat angles C4'-P-C4' energy: -42.909
flat angles P-C4'-P energy: -45.433
tors. eta vs tors. theta energy: -16.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -424.767989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.767989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.767989 (E_RNA)
where:
Base-Base interactions energy: -219.664
where: short stacking energy: -116.145
Base-Backbone interact. energy: 0.974
local terms energy: -206.078049
where:
bonds (distance) C4'-P energy: -46.979
bonds (distance) P-C4' energy: -51.448
flat angles C4'-P-C4' energy: -57.602
flat angles P-C4'-P energy: -40.191
tors. eta vs tors. theta energy: -9.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -1181.920112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.920112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.920112 (E_RNA)
where:
Base-Base interactions energy: -812.701
where: short stacking energy: -356.727
Base-Backbone interact. energy: -1.437
local terms energy: -367.782031
where:
bonds (distance) C4'-P energy: -61.522
bonds (distance) P-C4' energy: -73.152
flat angles C4'-P-C4' energy: -75.866
flat angles P-C4'-P energy: -49.902
tors. eta vs tors. theta energy: -107.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -1114.420225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.420225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.420225 (E_RNA)
where:
Base-Base interactions energy: -782.262
where: short stacking energy: -307.339
Base-Backbone interact. energy: -1.191
local terms energy: -330.967261
where:
bonds (distance) C4'-P energy: -63.788
bonds (distance) P-C4' energy: -72.692
flat angles C4'-P-C4' energy: -67.589
flat angles P-C4'-P energy: -51.241
tors. eta vs tors. theta energy: -75.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -1100.155871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.155871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.155871 (E_RNA)
where:
Base-Base interactions energy: -764.714
where: short stacking energy: -339.286
Base-Backbone interact. energy: -0.249
local terms energy: -335.192921
where:
bonds (distance) C4'-P energy: -67.514
bonds (distance) P-C4' energy: -49.812
flat angles C4'-P-C4' energy: -74.046
flat angles P-C4'-P energy: -37.686
tors. eta vs tors. theta energy: -106.135
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: 368
Temperature: 1.050000
Total energy: -1037.342637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.342637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.342637 (E_RNA)
where:
Base-Base interactions energy: -705.034
where: short stacking energy: -307.503
Base-Backbone interact. energy: -0.555
local terms energy: -331.753698
where:
bonds (distance) C4'-P energy: -68.391
bonds (distance) P-C4' energy: -57.655
flat angles C4'-P-C4' energy: -73.288
flat angles P-C4'-P energy: -49.635
tors. eta vs tors. theta energy: -82.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -994.929093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.929093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.929093 (E_RNA)
where:
Base-Base interactions energy: -681.725
where: short stacking energy: -304.953
Base-Backbone interact. energy: -0.489
local terms energy: -312.715012
where:
bonds (distance) C4'-P energy: -61.354
bonds (distance) P-C4' energy: -51.252
flat angles C4'-P-C4' energy: -69.818
flat angles P-C4'-P energy: -49.126
tors. eta vs tors. theta energy: -81.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -932.089725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.089725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.089725 (E_RNA)
where:
Base-Base interactions energy: -624.371
where: short stacking energy: -286.437
Base-Backbone interact. energy: -0.103
local terms energy: -307.615336
where:
bonds (distance) C4'-P energy: -47.004
bonds (distance) P-C4' energy: -66.892
flat angles C4'-P-C4' energy: -71.711
flat angles P-C4'-P energy: -38.311
tors. eta vs tors. theta energy: -83.697
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: 368
Temperature: 1.200000
Total energy: -857.590602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.590602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.590602 (E_RNA)
where:
Base-Base interactions energy: -591.812
where: short stacking energy: -262.178
Base-Backbone interact. energy: 1.750
local terms energy: -267.528447
where:
bonds (distance) C4'-P energy: -47.793
bonds (distance) P-C4' energy: -54.876
flat angles C4'-P-C4' energy: -59.151
flat angles P-C4'-P energy: -42.580
tors. eta vs tors. theta energy: -63.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -713.965987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.965987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.965987 (E_RNA)
where:
Base-Base interactions energy: -456.059
where: short stacking energy: -208.155
Base-Backbone interact. energy: 1.873
local terms energy: -259.780214
where:
bonds (distance) C4'-P energy: -50.176
bonds (distance) P-C4' energy: -64.793
flat angles C4'-P-C4' energy: -62.398
flat angles P-C4'-P energy: -35.068
tors. eta vs tors. theta energy: -47.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -479.106798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.106798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.106798 (E_RNA)
where:
Base-Base interactions energy: -267.552
where: short stacking energy: -148.772
Base-Backbone interact. energy: 1.590
local terms energy: -213.145537
where:
bonds (distance) C4'-P energy: -47.526
bonds (distance) P-C4' energy: -69.036
flat angles C4'-P-C4' energy: -52.896
flat angles P-C4'-P energy: -23.925
tors. eta vs tors. theta energy: -19.762
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: 5
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -429.528419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.528419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.528419 (E_RNA)
where:
Base-Base interactions energy: -251.803
where: short stacking energy: -130.496
Base-Backbone interact. energy: -2.273
local terms energy: -175.452735
where:
bonds (distance) C4'-P energy: -49.347
bonds (distance) P-C4' energy: -60.792
flat angles C4'-P-C4' energy: -41.637
flat angles P-C4'-P energy: -26.297
tors. eta vs tors. theta energy: 2.620
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: 1
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -1205.619013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.619013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.619013 (E_RNA)
where:
Base-Base interactions energy: -832.218
where: short stacking energy: -368.957
Base-Backbone interact. energy: -0.669
local terms energy: -372.731647
where:
bonds (distance) C4'-P energy: -65.749
bonds (distance) P-C4' energy: -74.094
flat angles C4'-P-C4' energy: -80.783
flat angles P-C4'-P energy: -45.150
tors. eta vs tors. theta energy: -106.956
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: 2, replica: 8
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -1110.027097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.027097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.027097 (E_RNA)
where:
Base-Base interactions energy: -784.047
where: short stacking energy: -315.675
Base-Backbone interact. energy: -0.315
local terms energy: -325.665236
where:
bonds (distance) C4'-P energy: -66.626
bonds (distance) P-C4' energy: -59.911
flat angles C4'-P-C4' energy: -74.154
flat angles P-C4'-P energy: -46.338
tors. eta vs tors. theta energy: -78.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -1090.622147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.622147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.622147 (E_RNA)
where:
Base-Base interactions energy: -768.743
where: short stacking energy: -320.476
Base-Backbone interact. energy: -1.531
local terms energy: -320.348218
where:
bonds (distance) C4'-P energy: -57.449
bonds (distance) P-C4' energy: -57.022
flat angles C4'-P-C4' energy: -67.672
flat angles P-C4'-P energy: -50.422
tors. eta vs tors. theta energy: -87.783
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: 4
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -1057.029928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.029928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.029928 (E_RNA)
where:
Base-Base interactions energy: -717.909
where: short stacking energy: -322.433
Base-Backbone interact. energy: 2.212
local terms energy: -341.332989
where:
bonds (distance) C4'-P energy: -52.620
bonds (distance) P-C4' energy: -60.764
flat angles C4'-P-C4' energy: -76.825
flat angles P-C4'-P energy: -53.688
tors. eta vs tors. theta energy: -97.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -970.524784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.524784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.524784 (E_RNA)
where:
Base-Base interactions energy: -657.768
where: short stacking energy: -286.856
Base-Backbone interact. energy: 0.910
local terms energy: -313.666139
where:
bonds (distance) C4'-P energy: -63.267
bonds (distance) P-C4' energy: -57.469
flat angles C4'-P-C4' energy: -74.022
flat angles P-C4'-P energy: -46.750
tors. eta vs tors. theta energy: -72.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -903.340598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.340598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.340598 (E_RNA)
where:
Base-Base interactions energy: -590.494
where: short stacking energy: -277.596
Base-Backbone interact. energy: -1.737
local terms energy: -311.109534
where:
bonds (distance) C4'-P energy: -64.893
bonds (distance) P-C4' energy: -57.796
flat angles C4'-P-C4' energy: -69.952
flat angles P-C4'-P energy: -43.331
tors. eta vs tors. theta energy: -75.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -840.775133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.775133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.775133 (E_RNA)
where:
Base-Base interactions energy: -571.463
where: short stacking energy: -252.667
Base-Backbone interact. energy: -1.091
local terms energy: -268.221132
where:
bonds (distance) C4'-P energy: -42.800
bonds (distance) P-C4' energy: -60.292
flat angles C4'-P-C4' energy: -64.115
flat angles P-C4'-P energy: -40.633
tors. eta vs tors. theta energy: -60.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -701.720648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.720648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.720648 (E_RNA)
where:
Base-Base interactions energy: -453.528
where: short stacking energy: -204.237
Base-Backbone interact. energy: -1.091
local terms energy: -247.101827
where:
bonds (distance) C4'-P energy: -63.277
bonds (distance) P-C4' energy: -51.707
flat angles C4'-P-C4' energy: -65.322
flat angles P-C4'-P energy: -30.519
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: 9, replica: 7
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -444.568166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.568166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.568166 (E_RNA)
where:
Base-Base interactions energy: -239.741
where: short stacking energy: -149.150
Base-Backbone interact. energy: 0.169
local terms energy: -204.996878
where:
bonds (distance) C4'-P energy: -55.611
bonds (distance) P-C4' energy: -53.892
flat angles C4'-P-C4' energy: -41.423
flat angles P-C4'-P energy: -34.453
tors. eta vs tors. theta energy: -19.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -403.336514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.336514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.336514 (E_RNA)
where:
Base-Base interactions energy: -205.652
where: short stacking energy: -120.910
Base-Backbone interact. energy: 0.021
local terms energy: -197.705454
where:
bonds (distance) C4'-P energy: -62.563
bonds (distance) P-C4' energy: -55.961
flat angles C4'-P-C4' energy: -51.711
flat angles P-C4'-P energy: -20.464
tors. eta vs tors. theta energy: -7.007
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: 1
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -1202.437133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.437133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.437133 (E_RNA)
where:
Base-Base interactions energy: -832.612
where: short stacking energy: -367.899
Base-Backbone interact. energy: -0.376
local terms energy: -369.449057
where:
bonds (distance) C4'-P energy: -70.689
bonds (distance) P-C4' energy: -71.488
flat angles C4'-P-C4' energy: -76.964
flat angles P-C4'-P energy: -45.228
tors. eta vs tors. theta energy: -105.080
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: 8
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -1098.547804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.547804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.547804 (E_RNA)
where:
Base-Base interactions energy: -792.497
where: short stacking energy: -323.765
Base-Backbone interact. energy: 0.639
local terms energy: -306.689282
where:
bonds (distance) C4'-P energy: -53.637
bonds (distance) P-C4' energy: -62.660
flat angles C4'-P-C4' energy: -70.298
flat angles P-C4'-P energy: -43.683
tors. eta vs tors. theta energy: -76.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -1081.532421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.532421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.532421 (E_RNA)
where:
Base-Base interactions energy: -736.446
where: short stacking energy: -332.612
Base-Backbone interact. energy: -0.390
local terms energy: -344.696434
where:
bonds (distance) C4'-P energy: -52.401
bonds (distance) P-C4' energy: -75.137
flat angles C4'-P-C4' energy: -68.429
flat angles P-C4'-P energy: -39.453
tors. eta vs tors. theta energy: -109.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -1012.546631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.546631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.546631 (E_RNA)
where:
Base-Base interactions energy: -717.748
where: short stacking energy: -297.605
Base-Backbone interact. energy: -1.685
local terms energy: -293.114221
where:
bonds (distance) C4'-P energy: -45.566
bonds (distance) P-C4' energy: -61.529
flat angles C4'-P-C4' energy: -67.724
flat angles P-C4'-P energy: -43.717
tors. eta vs tors. theta energy: -74.578
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: 10
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -969.550542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.550542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.550542 (E_RNA)
where:
Base-Base interactions energy: -650.202
where: short stacking energy: -285.536
Base-Backbone interact. energy: 0.097
local terms energy: -319.445518
where:
bonds (distance) C4'-P energy: -61.258
bonds (distance) P-C4' energy: -69.654
flat angles C4'-P-C4' energy: -63.975
flat angles P-C4'-P energy: -44.675
tors. eta vs tors. theta energy: -79.883
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: 9
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -884.082097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.082097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.082097 (E_RNA)
where:
Base-Base interactions energy: -593.062
where: short stacking energy: -263.219
Base-Backbone interact. energy: -0.720
local terms energy: -290.299879
where:
bonds (distance) C4'-P energy: -56.859
bonds (distance) P-C4' energy: -61.704
flat angles C4'-P-C4' energy: -62.555
flat angles P-C4'-P energy: -43.439
tors. eta vs tors. theta energy: -65.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -811.092531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.092531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.092531 (E_RNA)
where:
Base-Base interactions energy: -557.392
where: short stacking energy: -252.894
Base-Backbone interact. energy: -0.747
local terms energy: -252.954293
where:
bonds (distance) C4'-P energy: -51.612
bonds (distance) P-C4' energy: -44.525
flat angles C4'-P-C4' energy: -56.404
flat angles P-C4'-P energy: -42.238
tors. eta vs tors. theta energy: -58.175
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: 6
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -734.294214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.294214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.294214 (E_RNA)
where:
Base-Base interactions energy: -495.512
where: short stacking energy: -228.021
Base-Backbone interact. energy: -0.774
local terms energy: -238.008544
where:
bonds (distance) C4'-P energy: -42.200
bonds (distance) P-C4' energy: -64.050
flat angles C4'-P-C4' energy: -58.186
flat angles P-C4'-P energy: -23.356
tors. eta vs tors. theta energy: -50.216
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: 7
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -467.110675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.110675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.110675 (E_RNA)
where:
Base-Base interactions energy: -260.907
where: short stacking energy: -135.217
Base-Backbone interact. energy: -1.382
local terms energy: -204.821645
where:
bonds (distance) C4'-P energy: -54.216
bonds (distance) P-C4' energy: -47.318
flat angles C4'-P-C4' energy: -45.024
flat angles P-C4'-P energy: -41.593
tors. eta vs tors. theta energy: -16.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -383.225809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.225809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.225809 (E_RNA)
where:
Base-Base interactions energy: -192.894
where: short stacking energy: -121.226
Base-Backbone interact. energy: -0.817
local terms energy: -189.515512
where:
bonds (distance) C4'-P energy: -53.857
bonds (distance) P-C4' energy: -50.711
flat angles C4'-P-C4' energy: -57.549
flat angles P-C4'-P energy: -24.324
tors. eta vs tors. theta energy: -3.075
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: 1
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -1191.630313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.630313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.630313 (E_RNA)
where:
Base-Base interactions energy: -827.712
where: short stacking energy: -360.189
Base-Backbone interact. energy: -1.050
local terms energy: -362.868994
where:
bonds (distance) C4'-P energy: -55.279
bonds (distance) P-C4' energy: -66.369
flat angles C4'-P-C4' energy: -80.560
flat angles P-C4'-P energy: -48.725
tors. eta vs tors. theta energy: -111.936
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: 8
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -1127.375688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.375688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.375688 (E_RNA)
where:
Base-Base interactions energy: -801.196
where: short stacking energy: -325.371
Base-Backbone interact. energy: 2.824
local terms energy: -329.003687
where:
bonds (distance) C4'-P energy: -67.522
bonds (distance) P-C4' energy: -64.928
flat angles C4'-P-C4' energy: -69.000
flat angles P-C4'-P energy: -45.921
tors. eta vs tors. theta energy: -81.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -1119.739230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.739230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.739230 (E_RNA)
where:
Base-Base interactions energy: -780.002
where: short stacking energy: -352.337
Base-Backbone interact. energy: -0.214
local terms energy: -339.523353
where:
bonds (distance) C4'-P energy: -55.667
bonds (distance) P-C4' energy: -58.680
flat angles C4'-P-C4' energy: -76.904
flat angles P-C4'-P energy: -44.473
tors. eta vs tors. theta energy: -103.799
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: 371
Temperature: 1.050000
Total energy: -1033.054301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.054301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.054301 (E_RNA)
where:
Base-Base interactions energy: -721.398
where: short stacking energy: -301.160
Base-Backbone interact. energy: -2.330
local terms energy: -309.325780
where:
bonds (distance) C4'-P energy: -64.727
bonds (distance) P-C4' energy: -61.135
flat angles C4'-P-C4' energy: -65.045
flat angles P-C4'-P energy: -44.471
tors. eta vs tors. theta energy: -73.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -972.729787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.729787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.729787 (E_RNA)
where:
Base-Base interactions energy: -679.131
where: short stacking energy: -304.380
Base-Backbone interact. energy: -1.380
local terms energy: -292.219277
where:
bonds (distance) C4'-P energy: -51.790
bonds (distance) P-C4' energy: -60.866
flat angles C4'-P-C4' energy: -63.207
flat angles P-C4'-P energy: -35.387
tors. eta vs tors. theta energy: -80.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -878.877009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.877009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.877009 (E_RNA)
where:
Base-Base interactions energy: -605.064
where: short stacking energy: -266.942
Base-Backbone interact. energy: -1.324
local terms energy: -272.489055
where:
bonds (distance) C4'-P energy: -49.156
bonds (distance) P-C4' energy: -52.936
flat angles C4'-P-C4' energy: -61.479
flat angles P-C4'-P energy: -37.928
tors. eta vs tors. theta energy: -70.990
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: 371
Temperature: 1.200000
Total energy: -792.804184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.804184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.804184 (E_RNA)
where:
Base-Base interactions energy: -511.938
where: short stacking energy: -225.666
Base-Backbone interact. energy: 1.068
local terms energy: -281.934443
where:
bonds (distance) C4'-P energy: -55.076
bonds (distance) P-C4' energy: -66.478
flat angles C4'-P-C4' energy: -51.376
flat angles P-C4'-P energy: -43.328
tors. eta vs tors. theta energy: -65.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -749.379418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.379418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.379418 (E_RNA)
where:
Base-Base interactions energy: -485.143
where: short stacking energy: -211.888
Base-Backbone interact. energy: 4.171
local terms energy: -268.407338
where:
bonds (distance) C4'-P energy: -61.218
bonds (distance) P-C4' energy: -50.887
flat angles C4'-P-C4' energy: -65.796
flat angles P-C4'-P energy: -37.732
tors. eta vs tors. theta energy: -52.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -471.568212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.568212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.568212 (E_RNA)
where:
Base-Base interactions energy: -255.532
where: short stacking energy: -138.240
Base-Backbone interact. energy: -1.920
local terms energy: -214.116124
where:
bonds (distance) C4'-P energy: -54.875
bonds (distance) P-C4' energy: -58.717
flat angles C4'-P-C4' energy: -47.963
flat angles P-C4'-P energy: -36.029
tors. eta vs tors. theta energy: -16.532
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: 371
Temperature: 1.350000
Total energy: -406.168379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.168379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.168379 (E_RNA)
where:
Base-Base interactions energy: -214.177
where: short stacking energy: -123.326
Base-Backbone interact. energy: -0.950
local terms energy: -191.041884
where:
bonds (distance) C4'-P energy: -57.239
bonds (distance) P-C4' energy: -60.113
flat angles C4'-P-C4' energy: -50.165
flat angles P-C4'-P energy: -17.304
tors. eta vs tors. theta energy: -6.221
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: 1
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -1195.361294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.361294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.361294 (E_RNA)
where:
Base-Base interactions energy: -826.466
where: short stacking energy: -375.449
Base-Backbone interact. energy: -0.280
local terms energy: -368.615188
where:
bonds (distance) C4'-P energy: -59.316
bonds (distance) P-C4' energy: -73.963
flat angles C4'-P-C4' energy: -67.902
flat angles P-C4'-P energy: -56.402
tors. eta vs tors. theta energy: -111.033
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: 8
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -1111.292285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.292285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.292285 (E_RNA)
where:
Base-Base interactions energy: -787.599
where: short stacking energy: -308.687
Base-Backbone interact. energy: -2.405
local terms energy: -321.288896
where:
bonds (distance) C4'-P energy: -59.142
bonds (distance) P-C4' energy: -64.620
flat angles C4'-P-C4' energy: -73.551
flat angles P-C4'-P energy: -44.251
tors. eta vs tors. theta energy: -79.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -1093.142909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.142909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.142909 (E_RNA)
where:
Base-Base interactions energy: -739.989
where: short stacking energy: -349.657
Base-Backbone interact. energy: 0.319
local terms energy: -353.473147
where:
bonds (distance) C4'-P energy: -66.979
bonds (distance) P-C4' energy: -65.099
flat angles C4'-P-C4' energy: -74.501
flat angles P-C4'-P energy: -43.487
tors. eta vs tors. theta energy: -103.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -983.680797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.680797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.680797 (E_RNA)
where:
Base-Base interactions energy: -674.913
where: short stacking energy: -260.537
Base-Backbone interact. energy: -1.501
local terms energy: -307.266880
where:
bonds (distance) C4'-P energy: -58.457
bonds (distance) P-C4' energy: -62.556
flat angles C4'-P-C4' energy: -77.009
flat angles P-C4'-P energy: -43.467
tors. eta vs tors. theta energy: -65.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -979.859036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.859036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.859036 (E_RNA)
where:
Base-Base interactions energy: -670.123
where: short stacking energy: -285.246
Base-Backbone interact. energy: 0.883
local terms energy: -310.618119
where:
bonds (distance) C4'-P energy: -61.484
bonds (distance) P-C4' energy: -54.804
flat angles C4'-P-C4' energy: -63.744
flat angles P-C4'-P energy: -51.780
tors. eta vs tors. theta energy: -78.805
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: 9
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -886.954852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.954852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.954852 (E_RNA)
where:
Base-Base interactions energy: -601.366
where: short stacking energy: -266.515
Base-Backbone interact. energy: 0.823
local terms energy: -286.412200
where:
bonds (distance) C4'-P energy: -53.121
bonds (distance) P-C4' energy: -60.341
flat angles C4'-P-C4' energy: -60.637
flat angles P-C4'-P energy: -51.786
tors. eta vs tors. theta energy: -60.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -845.484930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.484930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.484930 (E_RNA)
where:
Base-Base interactions energy: -565.880
where: short stacking energy: -248.501
Base-Backbone interact. energy: -0.924
local terms energy: -278.680032
where:
bonds (distance) C4'-P energy: -55.652
bonds (distance) P-C4' energy: -58.249
flat angles C4'-P-C4' energy: -63.333
flat angles P-C4'-P energy: -33.594
tors. eta vs tors. theta energy: -67.853
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: 8, replica: 6
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -740.254688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.254688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.254688 (E_RNA)
where:
Base-Base interactions energy: -475.048
where: short stacking energy: -200.736
Base-Backbone interact. energy: -1.898
local terms energy: -263.308240
where:
bonds (distance) C4'-P energy: -64.458
bonds (distance) P-C4' energy: -52.654
flat angles C4'-P-C4' energy: -63.991
flat angles P-C4'-P energy: -32.251
tors. eta vs tors. theta energy: -49.954
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: 9, replica: 5
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -465.056151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.056151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.056151 (E_RNA)
where:
Base-Base interactions energy: -258.544
where: short stacking energy: -112.674
Base-Backbone interact. energy: -1.344
local terms energy: -205.168715
where:
bonds (distance) C4'-P energy: -51.129
bonds (distance) P-C4' energy: -56.647
flat angles C4'-P-C4' energy: -55.647
flat angles P-C4'-P energy: -38.190
tors. eta vs tors. theta energy: -3.555
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: 10, replica: 7
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -423.431174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.431174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.431174 (E_RNA)
where:
Base-Base interactions energy: -224.365
where: short stacking energy: -104.300
Base-Backbone interact. energy: 0.786
local terms energy: -199.852764
where:
bonds (distance) C4'-P energy: -58.653
bonds (distance) P-C4' energy: -53.502
flat angles C4'-P-C4' energy: -52.869
flat angles P-C4'-P energy: -31.920
tors. eta vs tors. theta energy: -2.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -1190.602110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.602110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.602110 (E_RNA)
where:
Base-Base interactions energy: -814.626
where: short stacking energy: -360.406
Base-Backbone interact. energy: -0.303
local terms energy: -375.673286
where:
bonds (distance) C4'-P energy: -67.297
bonds (distance) P-C4' energy: -61.046
flat angles C4'-P-C4' energy: -77.557
flat angles P-C4'-P energy: -56.120
tors. eta vs tors. theta energy: -113.654
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: 8
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -1118.345978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.345978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.345978 (E_RNA)
where:
Base-Base interactions energy: -789.874
where: short stacking energy: -303.140
Base-Backbone interact. energy: -0.694
local terms energy: -327.777695
where:
bonds (distance) C4'-P energy: -57.851
bonds (distance) P-C4' energy: -70.748
flat angles C4'-P-C4' energy: -71.507
flat angles P-C4'-P energy: -51.726
tors. eta vs tors. theta energy: -75.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -1107.890804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.890804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.890804 (E_RNA)
where:
Base-Base interactions energy: -760.961
where: short stacking energy: -338.685
Base-Backbone interact. energy: -1.863
local terms energy: -345.066473
where:
bonds (distance) C4'-P energy: -59.763
bonds (distance) P-C4' energy: -71.215
flat angles C4'-P-C4' energy: -75.782
flat angles P-C4'-P energy: -37.969
tors. eta vs tors. theta energy: -100.338
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: 373
Temperature: 1.050000
Total energy: -990.198762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.198762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.198762 (E_RNA)
where:
Base-Base interactions energy: -683.750
where: short stacking energy: -295.758
Base-Backbone interact. energy: -0.300
local terms energy: -306.148381
where:
bonds (distance) C4'-P energy: -61.067
bonds (distance) P-C4' energy: -46.825
flat angles C4'-P-C4' energy: -70.669
flat angles P-C4'-P energy: -40.102
tors. eta vs tors. theta energy: -87.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -984.169151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.169151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.169151 (E_RNA)
where:
Base-Base interactions energy: -693.907
where: short stacking energy: -266.877
Base-Backbone interact. energy: 0.219
local terms energy: -290.481331
where:
bonds (distance) C4'-P energy: -58.410
bonds (distance) P-C4' energy: -63.344
flat angles C4'-P-C4' energy: -60.736
flat angles P-C4'-P energy: -42.855
tors. eta vs tors. theta energy: -65.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -925.879548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.879548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.879548 (E_RNA)
where:
Base-Base interactions energy: -629.585
where: short stacking energy: -291.873
Base-Backbone interact. energy: -0.689
local terms energy: -295.604848
where:
bonds (distance) C4'-P energy: -56.792
bonds (distance) P-C4' energy: -60.453
flat angles C4'-P-C4' energy: -58.054
flat angles P-C4'-P energy: -36.175
tors. eta vs tors. theta energy: -84.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -891.631358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.631358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.631358 (E_RNA)
where:
Base-Base interactions energy: -632.797
where: short stacking energy: -277.162
Base-Backbone interact. energy: -0.004
local terms energy: -258.830483
where:
bonds (distance) C4'-P energy: -57.359
bonds (distance) P-C4' energy: -56.163
flat angles C4'-P-C4' energy: -54.962
flat angles P-C4'-P energy: -26.584
tors. eta vs tors. theta energy: -63.763
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: 6
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -716.790644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.790644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.790644 (E_RNA)
where:
Base-Base interactions energy: -477.814
where: short stacking energy: -213.393
Base-Backbone interact. energy: -1.455
local terms energy: -237.521823
where:
bonds (distance) C4'-P energy: -50.079
bonds (distance) P-C4' energy: -48.477
flat angles C4'-P-C4' energy: -57.526
flat angles P-C4'-P energy: -37.477
tors. eta vs tors. theta energy: -43.962
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: 9, replica: 5
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -419.336873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.336873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.336873 (E_RNA)
where:
Base-Base interactions energy: -241.485
where: short stacking energy: -138.554
Base-Backbone interact. energy: -1.449
local terms energy: -176.402833
where:
bonds (distance) C4'-P energy: -43.412
bonds (distance) P-C4' energy: -55.703
flat angles C4'-P-C4' energy: -50.217
flat angles P-C4'-P energy: -25.966
tors. eta vs tors. theta energy: -1.105
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: 7
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -433.335215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.335215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.335215 (E_RNA)
where:
Base-Base interactions energy: -245.827
where: short stacking energy: -130.564
Base-Backbone interact. energy: -1.573
local terms energy: -185.935780
where:
bonds (distance) C4'-P energy: -47.660
bonds (distance) P-C4' energy: -47.562
flat angles C4'-P-C4' energy: -51.425
flat angles P-C4'-P energy: -30.644
tors. eta vs tors. theta energy: -8.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -1200.278595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.278595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.278595 (E_RNA)
where:
Base-Base interactions energy: -825.679
where: short stacking energy: -357.208
Base-Backbone interact. energy: -0.458
local terms energy: -374.142127
where:
bonds (distance) C4'-P energy: -62.125
bonds (distance) P-C4' energy: -67.221
flat angles C4'-P-C4' energy: -75.348
flat angles P-C4'-P energy: -56.710
tors. eta vs tors. theta energy: -112.738
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: 8
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -1098.600420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.600420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.600420 (E_RNA)
where:
Base-Base interactions energy: -772.919
where: short stacking energy: -298.872
Base-Backbone interact. energy: -1.144
local terms energy: -324.536643
where:
bonds (distance) C4'-P energy: -73.514
bonds (distance) P-C4' energy: -64.000
flat angles C4'-P-C4' energy: -67.539
flat angles P-C4'-P energy: -44.297
tors. eta vs tors. theta energy: -75.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -1092.854959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.854959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.854959 (E_RNA)
where:
Base-Base interactions energy: -782.326
where: short stacking energy: -337.750
Base-Backbone interact. energy: -0.224
local terms energy: -310.304854
where:
bonds (distance) C4'-P energy: -42.301
bonds (distance) P-C4' energy: -61.471
flat angles C4'-P-C4' energy: -70.314
flat angles P-C4'-P energy: -44.151
tors. eta vs tors. theta energy: -92.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -987.209348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.209348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.209348 (E_RNA)
where:
Base-Base interactions energy: -672.892
where: short stacking energy: -289.171
Base-Backbone interact. energy: 1.442
local terms energy: -315.759354
where:
bonds (distance) C4'-P energy: -64.729
bonds (distance) P-C4' energy: -62.274
flat angles C4'-P-C4' energy: -64.479
flat angles P-C4'-P energy: -48.604
tors. eta vs tors. theta energy: -75.673
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: 5, replica: 4
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -988.698497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.698497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.698497 (E_RNA)
where:
Base-Base interactions energy: -690.759
where: short stacking energy: -277.122
Base-Backbone interact. energy: -2.240
local terms energy: -295.699414
where:
bonds (distance) C4'-P energy: -59.893
bonds (distance) P-C4' energy: -47.916
flat angles C4'-P-C4' energy: -71.080
flat angles P-C4'-P energy: -42.663
tors. eta vs tors. theta energy: -74.149
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: 6, replica: 3
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -906.926888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.926888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.926888 (E_RNA)
where:
Base-Base interactions energy: -599.403
where: short stacking energy: -266.461
Base-Backbone interact. energy: -1.000
local terms energy: -306.523878
where:
bonds (distance) C4'-P energy: -59.742
bonds (distance) P-C4' energy: -63.324
flat angles C4'-P-C4' energy: -69.660
flat angles P-C4'-P energy: -35.261
tors. eta vs tors. theta energy: -78.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -814.902592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.902592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.902592 (E_RNA)
where:
Base-Base interactions energy: -544.881
where: short stacking energy: -233.467
Base-Backbone interact. energy: 0.325
local terms energy: -270.346508
where:
bonds (distance) C4'-P energy: -59.691
bonds (distance) P-C4' energy: -62.900
flat angles C4'-P-C4' energy: -68.769
flat angles P-C4'-P energy: -22.739
tors. eta vs tors. theta energy: -56.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -734.161318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.161318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.161318 (E_RNA)
where:
Base-Base interactions energy: -466.038
where: short stacking energy: -202.772
Base-Backbone interact. energy: -0.423
local terms energy: -267.699925
where:
bonds (distance) C4'-P energy: -58.766
bonds (distance) P-C4' energy: -63.981
flat angles C4'-P-C4' energy: -59.635
flat angles P-C4'-P energy: -41.719
tors. eta vs tors. theta energy: -43.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -388.470214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.470214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.470214 (E_RNA)
where:
Base-Base interactions energy: -194.427
where: short stacking energy: -108.005
Base-Backbone interact. energy: 1.500
local terms energy: -195.543415
where:
bonds (distance) C4'-P energy: -54.525
bonds (distance) P-C4' energy: -53.801
flat angles C4'-P-C4' energy: -44.128
flat angles P-C4'-P energy: -45.896
tors. eta vs tors. theta energy: 2.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -416.179644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.179644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.179644 (E_RNA)
where:
Base-Base interactions energy: -244.771
where: short stacking energy: -127.181
Base-Backbone interact. energy: -0.964
local terms energy: -170.444361
where:
bonds (distance) C4'-P energy: -51.261
bonds (distance) P-C4' energy: -61.685
flat angles C4'-P-C4' energy: -32.862
flat angles P-C4'-P energy: -17.488
tors. eta vs tors. theta energy: -7.148
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: 1, replica: 1
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -1200.825259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.825259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.825259 (E_RNA)
where:
Base-Base interactions energy: -829.363
where: short stacking energy: -364.170
Base-Backbone interact. energy: -1.392
local terms energy: -370.070421
where:
bonds (distance) C4'-P energy: -62.135
bonds (distance) P-C4' energy: -68.735
flat angles C4'-P-C4' energy: -73.072
flat angles P-C4'-P energy: -54.860
tors. eta vs tors. theta energy: -111.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -1141.519808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.519808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.519808 (E_RNA)
where:
Base-Base interactions energy: -793.770
where: short stacking energy: -334.263
Base-Backbone interact. energy: -1.152
local terms energy: -346.597687
where:
bonds (distance) C4'-P energy: -64.506
bonds (distance) P-C4' energy: -66.515
flat angles C4'-P-C4' energy: -72.480
flat angles P-C4'-P energy: -55.553
tors. eta vs tors. theta energy: -87.544
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: 3, replica: 2
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -1105.620923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.620923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.620923 (E_RNA)
where:
Base-Base interactions energy: -756.676
where: short stacking energy: -329.876
Base-Backbone interact. energy: 2.981
local terms energy: -351.925761
where:
bonds (distance) C4'-P energy: -68.689
bonds (distance) P-C4' energy: -65.225
flat angles C4'-P-C4' energy: -71.354
flat angles P-C4'-P energy: -49.140
tors. eta vs tors. theta energy: -97.518
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: 375
Temperature: 1.050000
Total energy: -1011.274599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.274599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.274599 (E_RNA)
where:
Base-Base interactions energy: -702.312
where: short stacking energy: -286.416
Base-Backbone interact. energy: 1.157
local terms energy: -310.119931
where:
bonds (distance) C4'-P energy: -63.174
bonds (distance) P-C4' energy: -68.213
flat angles C4'-P-C4' energy: -62.941
flat angles P-C4'-P energy: -43.492
tors. eta vs tors. theta energy: -72.300
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: 10
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -947.363872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.363872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.363872 (E_RNA)
where:
Base-Base interactions energy: -647.309
where: short stacking energy: -295.580
Base-Backbone interact. energy: -1.086
local terms energy: -298.968475
where:
bonds (distance) C4'-P energy: -56.114
bonds (distance) P-C4' energy: -55.530
flat angles C4'-P-C4' energy: -62.183
flat angles P-C4'-P energy: -45.012
tors. eta vs tors. theta energy: -80.129
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: 9
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -854.162030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.162030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.162030 (E_RNA)
where:
Base-Base interactions energy: -580.517
where: short stacking energy: -231.997
Base-Backbone interact. energy: -1.231
local terms energy: -272.413764
where:
bonds (distance) C4'-P energy: -64.098
bonds (distance) P-C4' energy: -60.526
flat angles C4'-P-C4' energy: -50.929
flat angles P-C4'-P energy: -35.932
tors. eta vs tors. theta energy: -60.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -841.750767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.750767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.750767 (E_RNA)
where:
Base-Base interactions energy: -548.719
where: short stacking energy: -242.440
Base-Backbone interact. energy: 0.047
local terms energy: -293.078651
where:
bonds (distance) C4'-P energy: -59.456
bonds (distance) P-C4' energy: -64.397
flat angles C4'-P-C4' energy: -60.956
flat angles P-C4'-P energy: -52.346
tors. eta vs tors. theta energy: -55.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -717.862148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.862148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.862148 (E_RNA)
where:
Base-Base interactions energy: -486.010
where: short stacking energy: -216.032
Base-Backbone interact. energy: 0.040
local terms energy: -231.891641
where:
bonds (distance) C4'-P energy: -44.337
bonds (distance) P-C4' energy: -59.507
flat angles C4'-P-C4' energy: -56.878
flat angles P-C4'-P energy: -41.066
tors. eta vs tors. theta energy: -30.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -385.064684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.064684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.064684 (E_RNA)
where:
Base-Base interactions energy: -188.945
where: short stacking energy: -116.186
Base-Backbone interact. energy: -1.380
local terms energy: -194.739570
where:
bonds (distance) C4'-P energy: -59.877
bonds (distance) P-C4' energy: -54.073
flat angles C4'-P-C4' energy: -52.480
flat angles P-C4'-P energy: -22.224
tors. eta vs tors. theta energy: -6.086
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: 10, replica: 5
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -433.982475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.982475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.982475 (E_RNA)
where:
Base-Base interactions energy: -226.456
where: short stacking energy: -121.923
Base-Backbone interact. energy: -1.588
local terms energy: -205.938315
where:
bonds (distance) C4'-P energy: -48.446
bonds (distance) P-C4' energy: -56.329
flat angles C4'-P-C4' energy: -50.311
flat angles P-C4'-P energy: -40.062
tors. eta vs tors. theta energy: -10.789
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: 1, replica: 8
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -1151.936495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.936495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.936495 (E_RNA)
where:
Base-Base interactions energy: -790.649
where: short stacking energy: -326.017
Base-Backbone interact. energy: 0.226
local terms energy: -361.513073
where:
bonds (distance) C4'-P energy: -73.684
bonds (distance) P-C4' energy: -67.634
flat angles C4'-P-C4' energy: -76.452
flat angles P-C4'-P energy: -53.782
tors. eta vs tors. theta energy: -89.962
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: 1
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -1177.767793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.767793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.767793 (E_RNA)
where:
Base-Base interactions energy: -796.443
where: short stacking energy: -359.178
Base-Backbone interact. energy: -1.366
local terms energy: -379.958452
where:
bonds (distance) C4'-P energy: -56.785
bonds (distance) P-C4' energy: -73.828
flat angles C4'-P-C4' energy: -82.446
flat angles P-C4'-P energy: -47.719
tors. eta vs tors. theta energy: -119.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -1084.708019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.708019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.708019 (E_RNA)
where:
Base-Base interactions energy: -758.426
where: short stacking energy: -316.658
Base-Backbone interact. energy: -0.761
local terms energy: -325.520909
where:
bonds (distance) C4'-P energy: -65.058
bonds (distance) P-C4' energy: -59.397
flat angles C4'-P-C4' energy: -79.334
flat angles P-C4'-P energy: -39.474
tors. eta vs tors. theta energy: -82.258
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: 4, replica: 4
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -1008.951210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.951210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.951210 (E_RNA)
where:
Base-Base interactions energy: -684.668
where: short stacking energy: -301.199
Base-Backbone interact. energy: 1.652
local terms energy: -325.935299
where:
bonds (distance) C4'-P energy: -60.639
bonds (distance) P-C4' energy: -68.080
flat angles C4'-P-C4' energy: -61.698
flat angles P-C4'-P energy: -49.331
tors. eta vs tors. theta energy: -86.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -932.698867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.698867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.698867 (E_RNA)
where:
Base-Base interactions energy: -645.765
where: short stacking energy: -269.460
Base-Backbone interact. energy: -0.458
local terms energy: -286.476072
where:
bonds (distance) C4'-P energy: -61.197
bonds (distance) P-C4' energy: -62.909
flat angles C4'-P-C4' energy: -62.839
flat angles P-C4'-P energy: -44.099
tors. eta vs tors. theta energy: -55.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -856.159512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.159512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.159512 (E_RNA)
where:
Base-Base interactions energy: -587.801
where: short stacking energy: -248.110
Base-Backbone interact. energy: -1.048
local terms energy: -267.310817
where:
bonds (distance) C4'-P energy: -48.260
bonds (distance) P-C4' energy: -54.857
flat angles C4'-P-C4' energy: -60.872
flat angles P-C4'-P energy: -43.029
tors. eta vs tors. theta energy: -60.294
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: 3
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -841.371333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.371333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.371333 (E_RNA)
where:
Base-Base interactions energy: -568.641
where: short stacking energy: -244.728
Base-Backbone interact. energy: -0.918
local terms energy: -271.811966
where:
bonds (distance) C4'-P energy: -55.830
bonds (distance) P-C4' energy: -55.644
flat angles C4'-P-C4' energy: -67.635
flat angles P-C4'-P energy: -32.693
tors. eta vs tors. theta energy: -60.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -706.917385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.917385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.917385 (E_RNA)
where:
Base-Base interactions energy: -454.543
where: short stacking energy: -200.663
Base-Backbone interact. energy: 4.825
local terms energy: -257.199353
where:
bonds (distance) C4'-P energy: -56.851
bonds (distance) P-C4' energy: -50.635
flat angles C4'-P-C4' energy: -60.519
flat angles P-C4'-P energy: -41.091
tors. eta vs tors. theta energy: -48.103
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: 376
Temperature: 1.300000
Total energy: -407.225029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.225029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.225029 (E_RNA)
where:
Base-Base interactions energy: -229.049
where: short stacking energy: -132.045
Base-Backbone interact. energy: 0.150
local terms energy: -178.325997
where:
bonds (distance) C4'-P energy: -48.580
bonds (distance) P-C4' energy: -51.884
flat angles C4'-P-C4' energy: -44.637
flat angles P-C4'-P energy: -27.212
tors. eta vs tors. theta energy: -6.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -396.141084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.141084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.141084 (E_RNA)
where:
Base-Base interactions energy: -193.125
where: short stacking energy: -103.079
Base-Backbone interact. energy: 4.487
local terms energy: -207.502312
where:
bonds (distance) C4'-P energy: -49.846
bonds (distance) P-C4' energy: -71.614
flat angles C4'-P-C4' energy: -53.128
flat angles P-C4'-P energy: -26.325
tors. eta vs tors. theta energy: -6.589
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: 8
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -1163.237633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.237633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.237633 (E_RNA)
where:
Base-Base interactions energy: -817.326
where: short stacking energy: -335.227
Base-Backbone interact. energy: -0.203
local terms energy: -345.708646
where:
bonds (distance) C4'-P energy: -59.074
bonds (distance) P-C4' energy: -69.838
flat angles C4'-P-C4' energy: -68.718
flat angles P-C4'-P energy: -50.347
tors. eta vs tors. theta energy: -97.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -1165.110197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.110197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.110197 (E_RNA)
where:
Base-Base interactions energy: -795.899
where: short stacking energy: -368.285
Base-Backbone interact. energy: -0.133
local terms energy: -369.078395
where:
bonds (distance) C4'-P energy: -58.432
bonds (distance) P-C4' energy: -71.552
flat angles C4'-P-C4' energy: -74.982
flat angles P-C4'-P energy: -53.759
tors. eta vs tors. theta energy: -110.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -1119.585000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.585000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.585000 (E_RNA)
where:
Base-Base interactions energy: -772.286
where: short stacking energy: -342.675
Base-Backbone interact. energy: -0.709
local terms energy: -346.589861
where:
bonds (distance) C4'-P energy: -71.174
bonds (distance) P-C4' energy: -65.148
flat angles C4'-P-C4' energy: -69.145
flat angles P-C4'-P energy: -46.078
tors. eta vs tors. theta energy: -95.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -991.425075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.425075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.425075 (E_RNA)
where:
Base-Base interactions energy: -682.623
where: short stacking energy: -289.122
Base-Backbone interact. energy: 0.955
local terms energy: -309.756685
where:
bonds (distance) C4'-P energy: -57.343
bonds (distance) P-C4' energy: -66.001
flat angles C4'-P-C4' energy: -75.000
flat angles P-C4'-P energy: -38.445
tors. eta vs tors. theta energy: -72.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -936.738888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.738888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.738888 (E_RNA)
where:
Base-Base interactions energy: -641.309
where: short stacking energy: -257.817
Base-Backbone interact. energy: -0.940
local terms energy: -294.489970
where:
bonds (distance) C4'-P energy: -65.498
bonds (distance) P-C4' energy: -59.443
flat angles C4'-P-C4' energy: -65.178
flat angles P-C4'-P energy: -37.706
tors. eta vs tors. theta energy: -66.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -870.430613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.430613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.430613 (E_RNA)
where:
Base-Base interactions energy: -573.331
where: short stacking energy: -248.002
Base-Backbone interact. energy: -2.948
local terms energy: -294.150866
where:
bonds (distance) C4'-P energy: -57.021
bonds (distance) P-C4' energy: -71.008
flat angles C4'-P-C4' energy: -71.047
flat angles P-C4'-P energy: -31.865
tors. eta vs tors. theta energy: -63.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -809.739884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.739884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.739884 (E_RNA)
where:
Base-Base interactions energy: -529.599
where: short stacking energy: -241.492
Base-Backbone interact. energy: -0.530
local terms energy: -279.610914
where:
bonds (distance) C4'-P energy: -38.486
bonds (distance) P-C4' energy: -72.927
flat angles C4'-P-C4' energy: -61.702
flat angles P-C4'-P energy: -35.547
tors. eta vs tors. theta energy: -70.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -711.210489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.210489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.210489 (E_RNA)
where:
Base-Base interactions energy: -448.901
where: short stacking energy: -207.323
Base-Backbone interact. energy: 0.870
local terms energy: -263.179532
where:
bonds (distance) C4'-P energy: -47.432
bonds (distance) P-C4' energy: -53.142
flat angles C4'-P-C4' energy: -70.957
flat angles P-C4'-P energy: -38.138
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: 9, replica: 5
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -438.473862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.473862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.473862 (E_RNA)
where:
Base-Base interactions energy: -247.075
where: short stacking energy: -138.487
Base-Backbone interact. energy: -0.833
local terms energy: -190.566148
where:
bonds (distance) C4'-P energy: -53.693
bonds (distance) P-C4' energy: -49.705
flat angles C4'-P-C4' energy: -62.524
flat angles P-C4'-P energy: -15.365
tors. eta vs tors. theta energy: -9.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -361.195971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.195971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.195971 (E_RNA)
where:
Base-Base interactions energy: -182.477
where: short stacking energy: -114.964
Base-Backbone interact. energy: -0.668
local terms energy: -178.050467
where:
bonds (distance) C4'-P energy: -42.353
bonds (distance) P-C4' energy: -54.487
flat angles C4'-P-C4' energy: -57.248
flat angles P-C4'-P energy: -27.682
tors. eta vs tors. theta energy: 3.719
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: 1, replica: 8
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -1150.496375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.496375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.496375 (E_RNA)
where:
Base-Base interactions energy: -809.740
where: short stacking energy: -336.519
Base-Backbone interact. energy: -1.579
local terms energy: -339.176516
where:
bonds (distance) C4'-P energy: -64.532
bonds (distance) P-C4' energy: -64.406
flat angles C4'-P-C4' energy: -77.030
flat angles P-C4'-P energy: -42.476
tors. eta vs tors. theta energy: -90.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -1169.975296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.975296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.975296 (E_RNA)
where:
Base-Base interactions energy: -788.144
where: short stacking energy: -355.858
Base-Backbone interact. energy: -0.192
local terms energy: -381.638936
where:
bonds (distance) C4'-P energy: -69.791
bonds (distance) P-C4' energy: -69.327
flat angles C4'-P-C4' energy: -78.159
flat angles P-C4'-P energy: -52.368
tors. eta vs tors. theta energy: -111.994
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: 2
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -1090.775294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.775294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.775294 (E_RNA)
where:
Base-Base interactions energy: -743.787
where: short stacking energy: -319.499
Base-Backbone interact. energy: -0.731
local terms energy: -346.257401
where:
bonds (distance) C4'-P energy: -61.436
bonds (distance) P-C4' energy: -74.464
flat angles C4'-P-C4' energy: -74.257
flat angles P-C4'-P energy: -47.856
tors. eta vs tors. theta energy: -88.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -1033.031812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.031812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.031812 (E_RNA)
where:
Base-Base interactions energy: -698.503
where: short stacking energy: -312.564
Base-Backbone interact. energy: -3.393
local terms energy: -331.135604
where:
bonds (distance) C4'-P energy: -64.951
bonds (distance) P-C4' energy: -63.095
flat angles C4'-P-C4' energy: -66.031
flat angles P-C4'-P energy: -56.100
tors. eta vs tors. theta energy: -80.958
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: 10
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -941.407724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.407724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.407724 (E_RNA)
where:
Base-Base interactions energy: -649.090
where: short stacking energy: -272.884
Base-Backbone interact. energy: -0.726
local terms energy: -291.591685
where:
bonds (distance) C4'-P energy: -60.048
bonds (distance) P-C4' energy: -51.215
flat angles C4'-P-C4' energy: -71.057
flat angles P-C4'-P energy: -45.736
tors. eta vs tors. theta energy: -63.536
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: 6, replica: 9
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -847.491078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.491078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.491078 (E_RNA)
where:
Base-Base interactions energy: -553.781
where: short stacking energy: -226.222
Base-Backbone interact. energy: -0.102
local terms energy: -293.607249
where:
bonds (distance) C4'-P energy: -55.353
bonds (distance) P-C4' energy: -66.429
flat angles C4'-P-C4' energy: -71.571
flat angles P-C4'-P energy: -44.379
tors. eta vs tors. theta energy: -55.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -848.676677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.676677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.676677 (E_RNA)
where:
Base-Base interactions energy: -571.796
where: short stacking energy: -224.288
Base-Backbone interact. energy: -2.435
local terms energy: -274.445484
where:
bonds (distance) C4'-P energy: -56.318
bonds (distance) P-C4' energy: -60.181
flat angles C4'-P-C4' energy: -61.468
flat angles P-C4'-P energy: -32.602
tors. eta vs tors. theta energy: -63.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -709.402915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.402915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.402915 (E_RNA)
where:
Base-Base interactions energy: -450.489
where: short stacking energy: -214.059
Base-Backbone interact. energy: -0.011
local terms energy: -258.903529
where:
bonds (distance) C4'-P energy: -53.456
bonds (distance) P-C4' energy: -70.806
flat angles C4'-P-C4' energy: -45.942
flat angles P-C4'-P energy: -49.939
tors. eta vs tors. theta energy: -38.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -466.124561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.124561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.124561 (E_RNA)
where:
Base-Base interactions energy: -264.158
where: short stacking energy: -146.003
Base-Backbone interact. energy: -0.400
local terms energy: -201.566804
where:
bonds (distance) C4'-P energy: -51.364
bonds (distance) P-C4' energy: -50.256
flat angles C4'-P-C4' energy: -54.700
flat angles P-C4'-P energy: -22.126
tors. eta vs tors. theta energy: -23.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -439.248268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.248268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.248268 (E_RNA)
where:
Base-Base interactions energy: -228.678
where: short stacking energy: -120.049
Base-Backbone interact. energy: 1.043
local terms energy: -211.613266
where:
bonds (distance) C4'-P energy: -55.504
bonds (distance) P-C4' energy: -54.843
flat angles C4'-P-C4' energy: -54.791
flat angles P-C4'-P energy: -34.417
tors. eta vs tors. theta energy: -12.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -1155.156289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.156289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.156289 (E_RNA)
where:
Base-Base interactions energy: -796.083
where: short stacking energy: -325.084
Base-Backbone interact. energy: -1.130
local terms energy: -357.943731
where:
bonds (distance) C4'-P energy: -69.729
bonds (distance) P-C4' energy: -66.690
flat angles C4'-P-C4' energy: -70.946
flat angles P-C4'-P energy: -52.526
tors. eta vs tors. theta energy: -98.052
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: 2, replica: 1
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -1164.648693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.648693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.648693 (E_RNA)
where:
Base-Base interactions energy: -799.812
where: short stacking energy: -344.831
Base-Backbone interact. energy: -1.037
local terms energy: -363.799574
where:
bonds (distance) C4'-P energy: -64.560
bonds (distance) P-C4' energy: -57.609
flat angles C4'-P-C4' energy: -81.969
flat angles P-C4'-P energy: -53.861
tors. eta vs tors. theta energy: -105.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -1084.729882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.729882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.729882 (E_RNA)
where:
Base-Base interactions energy: -747.413
where: short stacking energy: -320.848
Base-Backbone interact. energy: -1.016
local terms energy: -336.301136
where:
bonds (distance) C4'-P energy: -65.841
bonds (distance) P-C4' energy: -61.448
flat angles C4'-P-C4' energy: -68.322
flat angles P-C4'-P energy: -48.009
tors. eta vs tors. theta energy: -92.682
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: 4
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -1046.722698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.722698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.722698 (E_RNA)
where:
Base-Base interactions energy: -695.948
where: short stacking energy: -304.823
Base-Backbone interact. energy: -0.982
local terms energy: -349.793073
where:
bonds (distance) C4'-P energy: -69.091
bonds (distance) P-C4' energy: -60.941
flat angles C4'-P-C4' energy: -69.226
flat angles P-C4'-P energy: -58.882
tors. eta vs tors. theta energy: -91.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -990.833548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.833548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.833548 (E_RNA)
where:
Base-Base interactions energy: -671.466
where: short stacking energy: -292.449
Base-Backbone interact. energy: -0.971
local terms energy: -318.396555
where:
bonds (distance) C4'-P energy: -59.523
bonds (distance) P-C4' energy: -67.003
flat angles C4'-P-C4' energy: -64.685
flat angles P-C4'-P energy: -46.719
tors. eta vs tors. theta energy: -80.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -902.769224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.769224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.769224 (E_RNA)
where:
Base-Base interactions energy: -604.110
where: short stacking energy: -259.111
Base-Backbone interact. energy: -0.735
local terms energy: -297.924069
where:
bonds (distance) C4'-P energy: -47.971
bonds (distance) P-C4' energy: -64.358
flat angles C4'-P-C4' energy: -67.595
flat angles P-C4'-P energy: -43.365
tors. eta vs tors. theta energy: -74.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -832.456393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.456393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.456393 (E_RNA)
where:
Base-Base interactions energy: -565.382
where: short stacking energy: -244.182
Base-Backbone interact. energy: 1.669
local terms energy: -268.743973
where:
bonds (distance) C4'-P energy: -51.159
bonds (distance) P-C4' energy: -60.447
flat angles C4'-P-C4' energy: -63.581
flat angles P-C4'-P energy: -38.399
tors. eta vs tors. theta energy: -55.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -758.242322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.242322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.242322 (E_RNA)
where:
Base-Base interactions energy: -480.500
where: short stacking energy: -204.410
Base-Backbone interact. energy: -1.110
local terms energy: -276.631938
where:
bonds (distance) C4'-P energy: -64.584
bonds (distance) P-C4' energy: -67.241
flat angles C4'-P-C4' energy: -54.840
flat angles P-C4'-P energy: -45.736
tors. eta vs tors. theta energy: -44.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -455.661619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.661619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.661619 (E_RNA)
where:
Base-Base interactions energy: -240.174
where: short stacking energy: -127.492
Base-Backbone interact. energy: -1.278
local terms energy: -214.208880
where:
bonds (distance) C4'-P energy: -61.224
bonds (distance) P-C4' energy: -62.677
flat angles C4'-P-C4' energy: -55.207
flat angles P-C4'-P energy: -35.322
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: 7
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -425.736178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.736178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.736178 (E_RNA)
where:
Base-Base interactions energy: -239.764
where: short stacking energy: -125.854
Base-Backbone interact. energy: 4.033
local terms energy: -190.005097
where:
bonds (distance) C4'-P energy: -39.269
bonds (distance) P-C4' energy: -55.098
flat angles C4'-P-C4' energy: -41.241
flat angles P-C4'-P energy: -31.914
tors. eta vs tors. theta energy: -22.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -1211.540371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.540371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.540371 (E_RNA)
where:
Base-Base interactions energy: -825.229
where: short stacking energy: -377.798
Base-Backbone interact. energy: 0.811
local terms energy: -387.122719
where:
bonds (distance) C4'-P energy: -65.091
bonds (distance) P-C4' energy: -68.912
flat angles C4'-P-C4' energy: -77.735
flat angles P-C4'-P energy: -58.714
tors. eta vs tors. theta energy: -116.671
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: 8
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -1124.105764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.105764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.105764 (E_RNA)
where:
Base-Base interactions energy: -782.112
where: short stacking energy: -335.267
Base-Backbone interact. energy: -1.447
local terms energy: -340.546760
where:
bonds (distance) C4'-P energy: -57.902
bonds (distance) P-C4' energy: -70.080
flat angles C4'-P-C4' energy: -75.856
flat angles P-C4'-P energy: -52.050
tors. eta vs tors. theta energy: -84.659
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: 2
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -1094.499109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.499109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.499109 (E_RNA)
where:
Base-Base interactions energy: -759.021
where: short stacking energy: -336.911
Base-Backbone interact. energy: -0.550
local terms energy: -334.927986
where:
bonds (distance) C4'-P energy: -64.393
bonds (distance) P-C4' energy: -61.474
flat angles C4'-P-C4' energy: -68.486
flat angles P-C4'-P energy: -50.998
tors. eta vs tors. theta energy: -89.577
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: 4
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -987.541232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.541232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.541232 (E_RNA)
where:
Base-Base interactions energy: -663.655
where: short stacking energy: -321.806
Base-Backbone interact. energy: 0.287
local terms energy: -324.173695
where:
bonds (distance) C4'-P energy: -59.520
bonds (distance) P-C4' energy: -59.902
flat angles C4'-P-C4' energy: -74.972
flat angles P-C4'-P energy: -43.878
tors. eta vs tors. theta energy: -85.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -968.437842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.437842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.437842 (E_RNA)
where:
Base-Base interactions energy: -666.915
where: short stacking energy: -286.979
Base-Backbone interact. energy: -0.874
local terms energy: -300.648210
where:
bonds (distance) C4'-P energy: -50.874
bonds (distance) P-C4' energy: -61.939
flat angles C4'-P-C4' energy: -67.229
flat angles P-C4'-P energy: -43.444
tors. eta vs tors. theta energy: -77.162
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: 3
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -884.128464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.128464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.128464 (E_RNA)
where:
Base-Base interactions energy: -584.672
where: short stacking energy: -268.604
Base-Backbone interact. energy: -1.860
local terms energy: -297.596941
where:
bonds (distance) C4'-P energy: -56.870
bonds (distance) P-C4' energy: -49.947
flat angles C4'-P-C4' energy: -70.111
flat angles P-C4'-P energy: -47.404
tors. eta vs tors. theta energy: -73.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -802.623630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.623630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.623630 (E_RNA)
where:
Base-Base interactions energy: -552.789
where: short stacking energy: -227.005
Base-Backbone interact. energy: -1.269
local terms energy: -248.565435
where:
bonds (distance) C4'-P energy: -50.559
bonds (distance) P-C4' energy: -56.455
flat angles C4'-P-C4' energy: -60.615
flat angles P-C4'-P energy: -34.338
tors. eta vs tors. theta energy: -46.598
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: 6
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -701.779502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.779502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.779502 (E_RNA)
where:
Base-Base interactions energy: -470.063
where: short stacking energy: -212.182
Base-Backbone interact. energy: -0.521
local terms energy: -231.195182
where:
bonds (distance) C4'-P energy: -45.733
bonds (distance) P-C4' energy: -51.959
flat angles C4'-P-C4' energy: -55.691
flat angles P-C4'-P energy: -33.789
tors. eta vs tors. theta energy: -44.024
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: 5
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -443.099451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.099451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.099451 (E_RNA)
where:
Base-Base interactions energy: -230.543
where: short stacking energy: -130.968
Base-Backbone interact. energy: 1.339
local terms energy: -213.895656
where:
bonds (distance) C4'-P energy: -55.897
bonds (distance) P-C4' energy: -53.213
flat angles C4'-P-C4' energy: -44.299
flat angles P-C4'-P energy: -41.281
tors. eta vs tors. theta energy: -19.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -436.673308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.673308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.673308 (E_RNA)
where:
Base-Base interactions energy: -233.233
where: short stacking energy: -125.162
Base-Backbone interact. energy: 3.272
local terms energy: -206.712300
where:
bonds (distance) C4'-P energy: -67.641
bonds (distance) P-C4' energy: -43.582
flat angles C4'-P-C4' energy: -59.356
flat angles P-C4'-P energy: -24.615
tors. eta vs tors. theta energy: -11.518
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: 1
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -1202.513764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.513764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.513764 (E_RNA)
where:
Base-Base interactions energy: -825.723
where: short stacking energy: -364.287
Base-Backbone interact. energy: -0.429
local terms energy: -376.361592
where:
bonds (distance) C4'-P energy: -70.161
bonds (distance) P-C4' energy: -69.033
flat angles C4'-P-C4' energy: -78.679
flat angles P-C4'-P energy: -48.244
tors. eta vs tors. theta energy: -110.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -1125.264807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.264807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.264807 (E_RNA)
where:
Base-Base interactions energy: -787.397
where: short stacking energy: -314.577
Base-Backbone interact. energy: 1.702
local terms energy: -339.568921
where:
bonds (distance) C4'-P energy: -54.051
bonds (distance) P-C4' energy: -68.110
flat angles C4'-P-C4' energy: -73.607
flat angles P-C4'-P energy: -53.235
tors. eta vs tors. theta energy: -90.566
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: 2
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -1082.977644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.977644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.977644 (E_RNA)
where:
Base-Base interactions energy: -746.520
where: short stacking energy: -335.469
Base-Backbone interact. energy: -0.933
local terms energy: -335.524493
where:
bonds (distance) C4'-P energy: -57.870
bonds (distance) P-C4' energy: -58.230
flat angles C4'-P-C4' energy: -77.794
flat angles P-C4'-P energy: -44.536
tors. eta vs tors. theta energy: -97.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -993.532042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.532042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.532042 (E_RNA)
where:
Base-Base interactions energy: -708.274
where: short stacking energy: -293.114
Base-Backbone interact. energy: -1.147
local terms energy: -284.110717
where:
bonds (distance) C4'-P energy: -42.743
bonds (distance) P-C4' energy: -60.456
flat angles C4'-P-C4' energy: -64.880
flat angles P-C4'-P energy: -44.540
tors. eta vs tors. theta energy: -71.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -968.583647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.583647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.583647 (E_RNA)
where:
Base-Base interactions energy: -663.175
where: short stacking energy: -301.145
Base-Backbone interact. energy: 1.292
local terms energy: -306.701443
where:
bonds (distance) C4'-P energy: -57.082
bonds (distance) P-C4' energy: -66.045
flat angles C4'-P-C4' energy: -68.279
flat angles P-C4'-P energy: -35.627
tors. eta vs tors. theta energy: -79.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -891.236429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.236429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.236429 (E_RNA)
where:
Base-Base interactions energy: -598.236
where: short stacking energy: -264.599
Base-Backbone interact. energy: 0.242
local terms energy: -293.241708
where:
bonds (distance) C4'-P energy: -55.922
bonds (distance) P-C4' energy: -67.864
flat angles C4'-P-C4' energy: -59.044
flat angles P-C4'-P energy: -32.655
tors. eta vs tors. theta energy: -77.757
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: 9
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -803.818594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.818594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.818594 (E_RNA)
where:
Base-Base interactions energy: -551.001
where: short stacking energy: -221.458
Base-Backbone interact. energy: -0.642
local terms energy: -252.175758
where:
bonds (distance) C4'-P energy: -54.442
bonds (distance) P-C4' energy: -48.623
flat angles C4'-P-C4' energy: -65.595
flat angles P-C4'-P energy: -33.934
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: 8, replica: 6
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -710.581532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.581532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.581532 (E_RNA)
where:
Base-Base interactions energy: -460.636
where: short stacking energy: -206.412
Base-Backbone interact. energy: -1.562
local terms energy: -248.383180
where:
bonds (distance) C4'-P energy: -52.658
bonds (distance) P-C4' energy: -47.511
flat angles C4'-P-C4' energy: -60.077
flat angles P-C4'-P energy: -46.725
tors. eta vs tors. theta energy: -41.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -432.010268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.010268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.010268 (E_RNA)
where:
Base-Base interactions energy: -239.114
where: short stacking energy: -127.722
Base-Backbone interact. energy: 1.144
local terms energy: -194.040672
where:
bonds (distance) C4'-P energy: -57.593
bonds (distance) P-C4' energy: -57.339
flat angles C4'-P-C4' energy: -45.770
flat angles P-C4'-P energy: -29.058
tors. eta vs tors. theta energy: -4.282
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: 7
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -438.188286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.188286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.188286 (E_RNA)
where:
Base-Base interactions energy: -233.415
where: short stacking energy: -135.312
Base-Backbone interact. energy: -1.043
local terms energy: -203.730946
where:
bonds (distance) C4'-P energy: -49.858
bonds (distance) P-C4' energy: -42.110
flat angles C4'-P-C4' energy: -55.370
flat angles P-C4'-P energy: -35.402
tors. eta vs tors. theta energy: -20.991
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: 1
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -1187.265669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.265669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.265669 (E_RNA)
where:
Base-Base interactions energy: -807.217
where: short stacking energy: -360.439
Base-Backbone interact. energy: -0.162
local terms energy: -379.885890
where:
bonds (distance) C4'-P energy: -58.163
bonds (distance) P-C4' energy: -76.045
flat angles C4'-P-C4' energy: -74.859
flat angles P-C4'-P energy: -55.304
tors. eta vs tors. theta energy: -115.515
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: 8
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -1132.777319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.777319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.777319 (E_RNA)
where:
Base-Base interactions energy: -797.296
where: short stacking energy: -314.692
Base-Backbone interact. energy: 2.277
local terms energy: -337.757611
where:
bonds (distance) C4'-P energy: -70.409
bonds (distance) P-C4' energy: -62.241
flat angles C4'-P-C4' energy: -69.000
flat angles P-C4'-P energy: -44.242
tors. eta vs tors. theta energy: -91.865
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: 382
Temperature: 1.000000
Total energy: -1099.911866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.911866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.911866 (E_RNA)
where:
Base-Base interactions energy: -749.064
where: short stacking energy: -343.483
Base-Backbone interact. energy: -1.606
local terms energy: -349.241345
where:
bonds (distance) C4'-P energy: -58.569
bonds (distance) P-C4' energy: -69.600
flat angles C4'-P-C4' energy: -75.524
flat angles P-C4'-P energy: -46.303
tors. eta vs tors. theta energy: -99.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -976.996956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.996956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.996956 (E_RNA)
where:
Base-Base interactions energy: -673.818
where: short stacking energy: -290.887
Base-Backbone interact. energy: -0.514
local terms energy: -302.665437
where:
bonds (distance) C4'-P energy: -50.817
bonds (distance) P-C4' energy: -60.758
flat angles C4'-P-C4' energy: -64.121
flat angles P-C4'-P energy: -46.847
tors. eta vs tors. theta energy: -80.124
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: 382
Temperature: 1.100000
Total energy: -973.279694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.279694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.279694 (E_RNA)
where:
Base-Base interactions energy: -668.459
where: short stacking energy: -305.002
Base-Backbone interact. energy: -0.599
local terms energy: -304.221637
where:
bonds (distance) C4'-P energy: -55.454
bonds (distance) P-C4' energy: -58.701
flat angles C4'-P-C4' energy: -63.902
flat angles P-C4'-P energy: -40.120
tors. eta vs tors. theta energy: -86.044
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: 382
Temperature: 1.150000
Total energy: -858.179291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.179291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.179291 (E_RNA)
where:
Base-Base interactions energy: -561.186
where: short stacking energy: -253.373
Base-Backbone interact. energy: -1.360
local terms energy: -295.633455
where:
bonds (distance) C4'-P energy: -56.641
bonds (distance) P-C4' energy: -61.515
flat angles C4'-P-C4' energy: -65.224
flat angles P-C4'-P energy: -42.817
tors. eta vs tors. theta energy: -69.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -798.165180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.165180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.165180 (E_RNA)
where:
Base-Base interactions energy: -533.213
where: short stacking energy: -217.356
Base-Backbone interact. energy: -0.086
local terms energy: -264.866029
where:
bonds (distance) C4'-P energy: -57.447
bonds (distance) P-C4' energy: -58.436
flat angles C4'-P-C4' energy: -60.276
flat angles P-C4'-P energy: -35.521
tors. eta vs tors. theta energy: -53.185
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: 6
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -712.114014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.114014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.114014 (E_RNA)
where:
Base-Base interactions energy: -475.683
where: short stacking energy: -207.052
Base-Backbone interact. energy: -1.288
local terms energy: -235.143790
where:
bonds (distance) C4'-P energy: -47.929
bonds (distance) P-C4' energy: -52.396
flat angles C4'-P-C4' energy: -55.826
flat angles P-C4'-P energy: -33.959
tors. eta vs tors. theta energy: -45.034
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: 5
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -443.888976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.888976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.888976 (E_RNA)
where:
Base-Base interactions energy: -242.711
where: short stacking energy: -124.182
Base-Backbone interact. energy: -0.217
local terms energy: -200.961362
where:
bonds (distance) C4'-P energy: -55.535
bonds (distance) P-C4' energy: -69.575
flat angles C4'-P-C4' energy: -35.871
flat angles P-C4'-P energy: -36.742
tors. eta vs tors. theta energy: -3.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -383.683389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.683389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.683389 (E_RNA)
where:
Base-Base interactions energy: -192.888
where: short stacking energy: -120.584
Base-Backbone interact. energy: -2.260
local terms energy: -188.535324
where:
bonds (distance) C4'-P energy: -48.196
bonds (distance) P-C4' energy: -46.020
flat angles C4'-P-C4' energy: -49.410
flat angles P-C4'-P energy: -38.808
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: 1, replica: 1
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -1205.666535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.666535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.666535 (E_RNA)
where:
Base-Base interactions energy: -817.572
where: short stacking energy: -368.692
Base-Backbone interact. energy: -0.009
local terms energy: -388.085288
where:
bonds (distance) C4'-P energy: -64.036
bonds (distance) P-C4' energy: -70.720
flat angles C4'-P-C4' energy: -81.775
flat angles P-C4'-P energy: -55.201
tors. eta vs tors. theta energy: -116.353
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: 2
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -1150.852960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.852960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.852960 (E_RNA)
where:
Base-Base interactions energy: -789.048
where: short stacking energy: -359.825
Base-Backbone interact. energy: -0.282
local terms energy: -361.523370
where:
bonds (distance) C4'-P energy: -68.891
bonds (distance) P-C4' energy: -61.941
flat angles C4'-P-C4' energy: -68.497
flat angles P-C4'-P energy: -58.559
tors. eta vs tors. theta energy: -103.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -1117.776524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.776524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.776524 (E_RNA)
where:
Base-Base interactions energy: -792.129
where: short stacking energy: -325.403
Base-Backbone interact. energy: -0.261
local terms energy: -325.386805
where:
bonds (distance) C4'-P energy: -49.656
bonds (distance) P-C4' energy: -64.413
flat angles C4'-P-C4' energy: -74.719
flat angles P-C4'-P energy: -51.179
tors. eta vs tors. theta energy: -85.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -990.508269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.508269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.508269 (E_RNA)
where:
Base-Base interactions energy: -681.163
where: short stacking energy: -296.448
Base-Backbone interact. energy: -0.786
local terms energy: -308.559556
where:
bonds (distance) C4'-P energy: -61.073
bonds (distance) P-C4' energy: -65.427
flat angles C4'-P-C4' energy: -66.097
flat angles P-C4'-P energy: -42.236
tors. eta vs tors. theta energy: -73.727
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: 4
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -936.956487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.956487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.956487 (E_RNA)
where:
Base-Base interactions energy: -650.289
where: short stacking energy: -282.705
Base-Backbone interact. energy: -0.168
local terms energy: -286.499254
where:
bonds (distance) C4'-P energy: -53.458
bonds (distance) P-C4' energy: -65.410
flat angles C4'-P-C4' energy: -58.975
flat angles P-C4'-P energy: -37.745
tors. eta vs tors. theta energy: -70.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -897.391657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.391657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.391657 (E_RNA)
where:
Base-Base interactions energy: -602.055
where: short stacking energy: -277.335
Base-Backbone interact. energy: 3.406
local terms energy: -298.742588
where:
bonds (distance) C4'-P energy: -45.067
bonds (distance) P-C4' energy: -68.135
flat angles C4'-P-C4' energy: -71.625
flat angles P-C4'-P energy: -39.791
tors. eta vs tors. theta energy: -74.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -827.340919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.340919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.340919 (E_RNA)
where:
Base-Base interactions energy: -538.164
where: short stacking energy: -236.952
Base-Backbone interact. energy: 0.063
local terms energy: -289.239633
where:
bonds (distance) C4'-P energy: -54.954
bonds (distance) P-C4' energy: -66.178
flat angles C4'-P-C4' energy: -66.955
flat angles P-C4'-P energy: -46.549
tors. eta vs tors. theta energy: -54.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -739.916555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.916555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.916555 (E_RNA)
where:
Base-Base interactions energy: -494.460
where: short stacking energy: -226.683
Base-Backbone interact. energy: -0.225
local terms energy: -245.231799
where:
bonds (distance) C4'-P energy: -59.578
bonds (distance) P-C4' energy: -54.691
flat angles C4'-P-C4' energy: -60.314
flat angles P-C4'-P energy: -29.115
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: 9, replica: 5
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -465.477520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.477520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.477520 (E_RNA)
where:
Base-Base interactions energy: -253.474
where: short stacking energy: -138.752
Base-Backbone interact. energy: -1.768
local terms energy: -210.234784
where:
bonds (distance) C4'-P energy: -45.149
bonds (distance) P-C4' energy: -52.559
flat angles C4'-P-C4' energy: -61.513
flat angles P-C4'-P energy: -28.884
tors. eta vs tors. theta energy: -22.130
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: 7
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -392.633826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.633826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.633826 (E_RNA)
where:
Base-Base interactions energy: -198.048
where: short stacking energy: -98.166
Base-Backbone interact. energy: -0.910
local terms energy: -193.675445
where:
bonds (distance) C4'-P energy: -53.293
bonds (distance) P-C4' energy: -49.950
flat angles C4'-P-C4' energy: -49.070
flat angles P-C4'-P energy: -44.745
tors. eta vs tors. theta energy: 3.384
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: 1
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -1203.341690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.341690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.341690 (E_RNA)
where:
Base-Base interactions energy: -817.396
where: short stacking energy: -367.694
Base-Backbone interact. energy: -0.172
local terms energy: -385.772880
where:
bonds (distance) C4'-P energy: -72.449
bonds (distance) P-C4' energy: -73.194
flat angles C4'-P-C4' energy: -83.654
flat angles P-C4'-P energy: -50.568
tors. eta vs tors. theta energy: -105.907
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: 2, replica: 2
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -1132.533080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.533080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.533080 (E_RNA)
where:
Base-Base interactions energy: -773.106
where: short stacking energy: -335.278
Base-Backbone interact. energy: 0.703
local terms energy: -360.129223
where:
bonds (distance) C4'-P energy: -72.507
bonds (distance) P-C4' energy: -61.370
flat angles C4'-P-C4' energy: -73.605
flat angles P-C4'-P energy: -55.115
tors. eta vs tors. theta energy: -97.532
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: 8
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -1094.316144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.316144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.316144 (E_RNA)
where:
Base-Base interactions energy: -767.558
where: short stacking energy: -300.447
Base-Backbone interact. energy: -1.736
local terms energy: -325.022283
where:
bonds (distance) C4'-P energy: -66.659
bonds (distance) P-C4' energy: -71.125
flat angles C4'-P-C4' energy: -60.175
flat angles P-C4'-P energy: -42.513
tors. eta vs tors. theta energy: -84.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -1049.408207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.408207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.408207 (E_RNA)
where:
Base-Base interactions energy: -709.242
where: short stacking energy: -307.062
Base-Backbone interact. energy: -2.304
local terms energy: -337.861399
where:
bonds (distance) C4'-P energy: -71.226
bonds (distance) P-C4' energy: -55.319
flat angles C4'-P-C4' energy: -72.775
flat angles P-C4'-P energy: -49.491
tors. eta vs tors. theta energy: -89.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -931.312762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.312762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.312762 (E_RNA)
where:
Base-Base interactions energy: -629.955
where: short stacking energy: -286.870
Base-Backbone interact. energy: -0.911
local terms energy: -300.446600
where:
bonds (distance) C4'-P energy: -56.750
bonds (distance) P-C4' energy: -56.401
flat angles C4'-P-C4' energy: -64.997
flat angles P-C4'-P energy: -35.075
tors. eta vs tors. theta energy: -87.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -878.026805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.026805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.026805 (E_RNA)
where:
Base-Base interactions energy: -595.861
where: short stacking energy: -257.492
Base-Backbone interact. energy: 0.703
local terms energy: -282.868425
where:
bonds (distance) C4'-P energy: -53.446
bonds (distance) P-C4' energy: -57.138
flat angles C4'-P-C4' energy: -65.231
flat angles P-C4'-P energy: -37.707
tors. eta vs tors. theta energy: -69.347
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: 7, replica: 9
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -804.321862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.321862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.321862 (E_RNA)
where:
Base-Base interactions energy: -529.609
where: short stacking energy: -217.255
Base-Backbone interact. energy: 1.543
local terms energy: -276.255829
where:
bonds (distance) C4'-P energy: -65.565
bonds (distance) P-C4' energy: -58.294
flat angles C4'-P-C4' energy: -55.993
flat angles P-C4'-P energy: -48.046
tors. eta vs tors. theta energy: -48.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -717.198269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.198269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.198269 (E_RNA)
where:
Base-Base interactions energy: -432.412
where: short stacking energy: -202.087
Base-Backbone interact. energy: -0.220
local terms energy: -284.565941
where:
bonds (distance) C4'-P energy: -61.048
bonds (distance) P-C4' energy: -64.350
flat angles C4'-P-C4' energy: -63.505
flat angles P-C4'-P energy: -41.034
tors. eta vs tors. theta energy: -54.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -430.923163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.923163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.923163 (E_RNA)
where:
Base-Base interactions energy: -231.012
where: short stacking energy: -123.373
Base-Backbone interact. energy: 0.727
local terms energy: -200.637761
where:
bonds (distance) C4'-P energy: -49.005
bonds (distance) P-C4' energy: -58.147
flat angles C4'-P-C4' energy: -54.349
flat angles P-C4'-P energy: -28.267
tors. eta vs tors. theta energy: -10.870
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: 10, replica: 5
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -431.159716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.159716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.159716 (E_RNA)
where:
Base-Base interactions energy: -243.932
where: short stacking energy: -141.534
Base-Backbone interact. energy: 0.090
local terms energy: -187.317818
where:
bonds (distance) C4'-P energy: -44.595
bonds (distance) P-C4' energy: -34.657
flat angles C4'-P-C4' energy: -55.188
flat angles P-C4'-P energy: -37.109
tors. eta vs tors. theta energy: -15.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -1189.331973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.331973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.331973 (E_RNA)
where:
Base-Base interactions energy: -817.151
where: short stacking energy: -349.608
Base-Backbone interact. energy: -0.295
local terms energy: -371.886355
where:
bonds (distance) C4'-P energy: -63.286
bonds (distance) P-C4' energy: -70.167
flat angles C4'-P-C4' energy: -73.329
flat angles P-C4'-P energy: -55.553
tors. eta vs tors. theta energy: -109.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -1125.439533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.439533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.439533 (E_RNA)
where:
Base-Base interactions energy: -788.865
where: short stacking energy: -356.682
Base-Backbone interact. energy: -0.785
local terms energy: -335.790086
where:
bonds (distance) C4'-P energy: -64.822
bonds (distance) P-C4' energy: -56.668
flat angles C4'-P-C4' energy: -73.672
flat angles P-C4'-P energy: -46.781
tors. eta vs tors. theta energy: -93.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -1120.362757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.362757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.362757 (E_RNA)
where:
Base-Base interactions energy: -773.871
where: short stacking energy: -322.658
Base-Backbone interact. energy: -1.249
local terms energy: -345.242707
where:
bonds (distance) C4'-P energy: -66.663
bonds (distance) P-C4' energy: -66.111
flat angles C4'-P-C4' energy: -72.122
flat angles P-C4'-P energy: -54.549
tors. eta vs tors. theta energy: -85.798
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: 10
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -1033.030691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.030691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.030691 (E_RNA)
where:
Base-Base interactions energy: -700.382
where: short stacking energy: -310.657
Base-Backbone interact. energy: -0.899
local terms energy: -331.749641
where:
bonds (distance) C4'-P energy: -62.016
bonds (distance) P-C4' energy: -65.764
flat angles C4'-P-C4' energy: -73.071
flat angles P-C4'-P energy: -47.179
tors. eta vs tors. theta energy: -83.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -957.224510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.224510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.224510 (E_RNA)
where:
Base-Base interactions energy: -656.675
where: short stacking energy: -300.045
Base-Backbone interact. energy: -1.792
local terms energy: -298.757771
where:
bonds (distance) C4'-P energy: -54.403
bonds (distance) P-C4' energy: -58.251
flat angles C4'-P-C4' energy: -67.007
flat angles P-C4'-P energy: -37.903
tors. eta vs tors. theta energy: -81.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -891.842642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.842642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.842642 (E_RNA)
where:
Base-Base interactions energy: -595.396
where: short stacking energy: -271.768
Base-Backbone interact. energy: -1.044
local terms energy: -295.402138
where:
bonds (distance) C4'-P energy: -46.020
bonds (distance) P-C4' energy: -68.707
flat angles C4'-P-C4' energy: -72.076
flat angles P-C4'-P energy: -35.290
tors. eta vs tors. theta energy: -73.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -785.509986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.509986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.509986 (E_RNA)
where:
Base-Base interactions energy: -530.846
where: short stacking energy: -209.363
Base-Backbone interact. energy: -1.442
local terms energy: -253.222384
where:
bonds (distance) C4'-P energy: -53.554
bonds (distance) P-C4' energy: -65.781
flat angles C4'-P-C4' energy: -63.463
flat angles P-C4'-P energy: -27.150
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: 8, replica: 6
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -704.578396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.578396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.578396 (E_RNA)
where:
Base-Base interactions energy: -467.811
where: short stacking energy: -200.791
Base-Backbone interact. energy: 0.068
local terms energy: -236.835346
where:
bonds (distance) C4'-P energy: -58.581
bonds (distance) P-C4' energy: -59.416
flat angles C4'-P-C4' energy: -49.121
flat angles P-C4'-P energy: -26.648
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: 9, replica: 7
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -484.643068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.643068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.643068 (E_RNA)
where:
Base-Base interactions energy: -256.405
where: short stacking energy: -141.051
Base-Backbone interact. energy: 1.529
local terms energy: -229.767456
where:
bonds (distance) C4'-P energy: -47.476
bonds (distance) P-C4' energy: -59.341
flat angles C4'-P-C4' energy: -60.028
flat angles P-C4'-P energy: -36.813
tors. eta vs tors. theta energy: -26.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -435.871988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.871988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.871988 (E_RNA)
where:
Base-Base interactions energy: -244.842
where: short stacking energy: -132.328
Base-Backbone interact. energy: 4.307
local terms energy: -195.337086
where:
bonds (distance) C4'-P energy: -46.160
bonds (distance) P-C4' energy: -69.471
flat angles C4'-P-C4' energy: -55.006
flat angles P-C4'-P energy: -25.025
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: 1
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -1197.896360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.896360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.896360 (E_RNA)
where:
Base-Base interactions energy: -819.569
where: short stacking energy: -366.825
Base-Backbone interact. energy: -0.397
local terms energy: -377.930326
where:
bonds (distance) C4'-P energy: -61.810
bonds (distance) P-C4' energy: -69.582
flat angles C4'-P-C4' energy: -74.831
flat angles P-C4'-P energy: -53.445
tors. eta vs tors. theta energy: -118.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -1132.150384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.150384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.150384 (E_RNA)
where:
Base-Base interactions energy: -768.246
where: short stacking energy: -343.852
Base-Backbone interact. energy: -0.204
local terms energy: -363.700278
where:
bonds (distance) C4'-P energy: -65.332
bonds (distance) P-C4' energy: -72.471
flat angles C4'-P-C4' energy: -73.656
flat angles P-C4'-P energy: -50.095
tors. eta vs tors. theta energy: -102.146
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: 3, replica: 8
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -1104.800127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.800127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.800127 (E_RNA)
where:
Base-Base interactions energy: -768.454
where: short stacking energy: -324.520
Base-Backbone interact. energy: -0.052
local terms energy: -336.293732
where:
bonds (distance) C4'-P energy: -67.674
bonds (distance) P-C4' energy: -64.122
flat angles C4'-P-C4' energy: -66.935
flat angles P-C4'-P energy: -45.988
tors. eta vs tors. theta energy: -91.574
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: 386
Temperature: 1.050000
Total energy: -1039.903710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.903710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.903710 (E_RNA)
where:
Base-Base interactions energy: -721.179
where: short stacking energy: -301.317
Base-Backbone interact. energy: -0.734
local terms energy: -317.990635
where:
bonds (distance) C4'-P energy: -55.405
bonds (distance) P-C4' energy: -63.206
flat angles C4'-P-C4' energy: -74.377
flat angles P-C4'-P energy: -41.449
tors. eta vs tors. theta energy: -83.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -957.969968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.969968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.969968 (E_RNA)
where:
Base-Base interactions energy: -653.563
where: short stacking energy: -303.595
Base-Backbone interact. energy: -0.975
local terms energy: -303.432815
where:
bonds (distance) C4'-P energy: -45.422
bonds (distance) P-C4' energy: -63.581
flat angles C4'-P-C4' energy: -63.622
flat angles P-C4'-P energy: -44.603
tors. eta vs tors. theta energy: -86.205
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: 3
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -868.077711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.077711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.077711 (E_RNA)
where:
Base-Base interactions energy: -569.408
where: short stacking energy: -257.650
Base-Backbone interact. energy: -0.831
local terms energy: -297.838097
where:
bonds (distance) C4'-P energy: -53.503
bonds (distance) P-C4' energy: -65.442
flat angles C4'-P-C4' energy: -64.177
flat angles P-C4'-P energy: -44.631
tors. eta vs tors. theta energy: -70.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -769.310370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.310370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.310370 (E_RNA)
where:
Base-Base interactions energy: -500.637
where: short stacking energy: -227.716
Base-Backbone interact. energy: -1.242
local terms energy: -267.430782
where:
bonds (distance) C4'-P energy: -66.865
bonds (distance) P-C4' energy: -59.968
flat angles C4'-P-C4' energy: -59.106
flat angles P-C4'-P energy: -27.297
tors. eta vs tors. theta energy: -54.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -755.624019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.624019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.624019 (E_RNA)
where:
Base-Base interactions energy: -504.242
where: short stacking energy: -212.988
Base-Backbone interact. energy: -0.431
local terms energy: -250.951150
where:
bonds (distance) C4'-P energy: -52.597
bonds (distance) P-C4' energy: -44.679
flat angles C4'-P-C4' energy: -58.545
flat angles P-C4'-P energy: -41.057
tors. eta vs tors. theta energy: -54.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -504.790820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.790820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.790820 (E_RNA)
where:
Base-Base interactions energy: -280.878
where: short stacking energy: -140.270
Base-Backbone interact. energy: 0.386
local terms energy: -224.298908
where:
bonds (distance) C4'-P energy: -57.899
bonds (distance) P-C4' energy: -58.963
flat angles C4'-P-C4' energy: -53.993
flat angles P-C4'-P energy: -39.817
tors. eta vs tors. theta energy: -13.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -425.695092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.695092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.695092 (E_RNA)
where:
Base-Base interactions energy: -218.163
where: short stacking energy: -122.868
Base-Backbone interact. energy: 1.594
local terms energy: -209.126166
where:
bonds (distance) C4'-P energy: -47.923
bonds (distance) P-C4' energy: -60.541
flat angles C4'-P-C4' energy: -54.732
flat angles P-C4'-P energy: -28.227
tors. eta vs tors. theta energy: -17.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -1194.867197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.867197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.867197 (E_RNA)
where:
Base-Base interactions energy: -820.317
where: short stacking energy: -365.715
Base-Backbone interact. energy: -0.800
local terms energy: -373.750943
where:
bonds (distance) C4'-P energy: -63.237
bonds (distance) P-C4' energy: -67.143
flat angles C4'-P-C4' energy: -80.765
flat angles P-C4'-P energy: -48.552
tors. eta vs tors. theta energy: -114.055
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: 2, replica: 8
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -1134.872382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.872382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.872382 (E_RNA)
where:
Base-Base interactions energy: -784.803
where: short stacking energy: -319.795
Base-Backbone interact. energy: -0.187
local terms energy: -349.882210
where:
bonds (distance) C4'-P energy: -62.189
bonds (distance) P-C4' energy: -69.284
flat angles C4'-P-C4' energy: -77.380
flat angles P-C4'-P energy: -49.370
tors. eta vs tors. theta energy: -91.659
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: 2
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -1110.510893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.510893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.510893 (E_RNA)
where:
Base-Base interactions energy: -761.239
where: short stacking energy: -343.366
Base-Backbone interact. energy: -1.922
local terms energy: -347.349872
where:
bonds (distance) C4'-P energy: -57.033
bonds (distance) P-C4' energy: -67.002
flat angles C4'-P-C4' energy: -67.676
flat angles P-C4'-P energy: -52.770
tors. eta vs tors. theta energy: -102.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -1028.342200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.342200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.342200 (E_RNA)
where:
Base-Base interactions energy: -708.686
where: short stacking energy: -312.246
Base-Backbone interact. energy: -0.259
local terms energy: -319.396966
where:
bonds (distance) C4'-P energy: -63.901
bonds (distance) P-C4' energy: -67.955
flat angles C4'-P-C4' energy: -64.578
flat angles P-C4'-P energy: -38.305
tors. eta vs tors. theta energy: -84.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -971.651415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.651415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.651415 (E_RNA)
where:
Base-Base interactions energy: -652.348
where: short stacking energy: -282.746
Base-Backbone interact. energy: -1.650
local terms energy: -317.653815
where:
bonds (distance) C4'-P energy: -61.452
bonds (distance) P-C4' energy: -59.271
flat angles C4'-P-C4' energy: -72.524
flat angles P-C4'-P energy: -44.577
tors. eta vs tors. theta energy: -79.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -865.060850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.060850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.060850 (E_RNA)
where:
Base-Base interactions energy: -570.953
where: short stacking energy: -257.922
Base-Backbone interact. energy: -0.382
local terms energy: -293.725773
where:
bonds (distance) C4'-P energy: -63.664
bonds (distance) P-C4' energy: -51.249
flat angles C4'-P-C4' energy: -68.604
flat angles P-C4'-P energy: -43.698
tors. eta vs tors. theta energy: -66.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -806.926381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.926381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.926381 (E_RNA)
where:
Base-Base interactions energy: -522.000
where: short stacking energy: -226.595
Base-Backbone interact. energy: -0.573
local terms energy: -284.353588
where:
bonds (distance) C4'-P energy: -56.487
bonds (distance) P-C4' energy: -64.005
flat angles C4'-P-C4' energy: -61.207
flat angles P-C4'-P energy: -44.426
tors. eta vs tors. theta energy: -58.230
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: 9
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -757.494691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.494691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.494691 (E_RNA)
where:
Base-Base interactions energy: -519.571
where: short stacking energy: -217.738
Base-Backbone interact. energy: -0.648
local terms energy: -237.275903
where:
bonds (distance) C4'-P energy: -56.629
bonds (distance) P-C4' energy: -54.292
flat angles C4'-P-C4' energy: -53.006
flat angles P-C4'-P energy: -30.367
tors. eta vs tors. theta energy: -42.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -488.900181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.900181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.900181 (E_RNA)
where:
Base-Base interactions energy: -257.392
where: short stacking energy: -147.893
Base-Backbone interact. energy: -0.482
local terms energy: -231.026518
where:
bonds (distance) C4'-P energy: -62.427
bonds (distance) P-C4' energy: -59.510
flat angles C4'-P-C4' energy: -48.553
flat angles P-C4'-P energy: -36.944
tors. eta vs tors. theta energy: -23.592
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: 5
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -465.865404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.865404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.865404 (E_RNA)
where:
Base-Base interactions energy: -265.391
where: short stacking energy: -138.588
Base-Backbone interact. energy: -1.844
local terms energy: -198.629968
where:
bonds (distance) C4'-P energy: -55.398
bonds (distance) P-C4' energy: -55.779
flat angles C4'-P-C4' energy: -53.293
flat angles P-C4'-P energy: -13.537
tors. eta vs tors. theta energy: -20.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -1196.448034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.448034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.448034 (E_RNA)
where:
Base-Base interactions energy: -826.045
where: short stacking energy: -357.636
Base-Backbone interact. energy: 0.067
local terms energy: -370.470541
where:
bonds (distance) C4'-P energy: -59.585
bonds (distance) P-C4' energy: -72.882
flat angles C4'-P-C4' energy: -77.080
flat angles P-C4'-P energy: -51.154
tors. eta vs tors. theta energy: -109.769
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: 8
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -1128.290194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.290194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.290194 (E_RNA)
where:
Base-Base interactions energy: -785.788
where: short stacking energy: -332.355
Base-Backbone interact. energy: -1.342
local terms energy: -341.160695
where:
bonds (distance) C4'-P energy: -63.117
bonds (distance) P-C4' energy: -70.247
flat angles C4'-P-C4' energy: -66.386
flat angles P-C4'-P energy: -50.718
tors. eta vs tors. theta energy: -90.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -1044.635022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.635022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.635022 (E_RNA)
where:
Base-Base interactions energy: -701.681
where: short stacking energy: -299.368
Base-Backbone interact. energy: -0.925
local terms energy: -342.029294
where:
bonds (distance) C4'-P energy: -61.295
bonds (distance) P-C4' energy: -72.500
flat angles C4'-P-C4' energy: -76.666
flat angles P-C4'-P energy: -43.707
tors. eta vs tors. theta energy: -87.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -1076.366404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.366404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.366404 (E_RNA)
where:
Base-Base interactions energy: -759.783
where: short stacking energy: -321.357
Base-Backbone interact. energy: -0.490
local terms energy: -316.093626
where:
bonds (distance) C4'-P energy: -53.397
bonds (distance) P-C4' energy: -51.656
flat angles C4'-P-C4' energy: -69.064
flat angles P-C4'-P energy: -52.534
tors. eta vs tors. theta energy: -89.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -962.883032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.883032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.883032 (E_RNA)
where:
Base-Base interactions energy: -636.063
where: short stacking energy: -288.928
Base-Backbone interact. energy: -0.518
local terms energy: -326.302153
where:
bonds (distance) C4'-P energy: -60.008
bonds (distance) P-C4' energy: -69.828
flat angles C4'-P-C4' energy: -67.554
flat angles P-C4'-P energy: -45.150
tors. eta vs tors. theta energy: -83.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -881.379435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.379435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.379435 (E_RNA)
where:
Base-Base interactions energy: -578.165
where: short stacking energy: -249.693
Base-Backbone interact. energy: -1.602
local terms energy: -301.612360
where:
bonds (distance) C4'-P energy: -67.902
bonds (distance) P-C4' energy: -57.747
flat angles C4'-P-C4' energy: -66.359
flat angles P-C4'-P energy: -38.939
tors. eta vs tors. theta energy: -70.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -779.584423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.584423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.584423 (E_RNA)
where:
Base-Base interactions energy: -532.140
where: short stacking energy: -215.520
Base-Backbone interact. energy: 3.497
local terms energy: -250.942133
where:
bonds (distance) C4'-P energy: -56.482
bonds (distance) P-C4' energy: -46.755
flat angles C4'-P-C4' energy: -60.632
flat angles P-C4'-P energy: -39.759
tors. eta vs tors. theta energy: -47.315
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: 9
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -792.506081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.506081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.506081 (E_RNA)
where:
Base-Base interactions energy: -533.958
where: short stacking energy: -231.807
Base-Backbone interact. energy: -1.260
local terms energy: -257.287835
where:
bonds (distance) C4'-P energy: -61.043
bonds (distance) P-C4' energy: -52.313
flat angles C4'-P-C4' energy: -55.822
flat angles P-C4'-P energy: -39.544
tors. eta vs tors. theta energy: -48.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -418.276485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.276485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.276485 (E_RNA)
where:
Base-Base interactions energy: -214.278
where: short stacking energy: -100.490
Base-Backbone interact. energy: 1.035
local terms energy: -205.034260
where:
bonds (distance) C4'-P energy: -55.647
bonds (distance) P-C4' energy: -56.466
flat angles C4'-P-C4' energy: -50.928
flat angles P-C4'-P energy: -42.051
tors. eta vs tors. theta energy: 0.058
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: 7
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -427.567323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.567323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.567323 (E_RNA)
where:
Base-Base interactions energy: -250.793
where: short stacking energy: -147.085
Base-Backbone interact. energy: 1.248
local terms energy: -178.021607
where:
bonds (distance) C4'-P energy: -39.454
bonds (distance) P-C4' energy: -44.019
flat angles C4'-P-C4' energy: -45.523
flat angles P-C4'-P energy: -36.090
tors. eta vs tors. theta energy: -12.937
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: 1
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -1189.342312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.342312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.342312 (E_RNA)
where:
Base-Base interactions energy: -833.041
where: short stacking energy: -366.457
Base-Backbone interact. energy: 0.185
local terms energy: -356.485801
where:
bonds (distance) C4'-P energy: -62.162
bonds (distance) P-C4' energy: -69.155
flat angles C4'-P-C4' energy: -75.305
flat angles P-C4'-P energy: -45.223
tors. eta vs tors. theta energy: -104.641
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: 8
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -1141.529538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.529538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.529538 (E_RNA)
where:
Base-Base interactions energy: -790.907
where: short stacking energy: -337.184
Base-Backbone interact. energy: 0.221
local terms energy: -350.844068
where:
bonds (distance) C4'-P energy: -63.184
bonds (distance) P-C4' energy: -59.232
flat angles C4'-P-C4' energy: -84.173
flat angles P-C4'-P energy: -48.360
tors. eta vs tors. theta energy: -95.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -1059.996487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.996487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.996487 (E_RNA)
where:
Base-Base interactions energy: -726.421
where: short stacking energy: -318.402
Base-Backbone interact. energy: -1.833
local terms energy: -331.742454
where:
bonds (distance) C4'-P energy: -54.034
bonds (distance) P-C4' energy: -69.981
flat angles C4'-P-C4' energy: -72.709
flat angles P-C4'-P energy: -42.970
tors. eta vs tors. theta energy: -92.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -1045.926524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.926524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.926524 (E_RNA)
where:
Base-Base interactions energy: -718.901
where: short stacking energy: -301.383
Base-Backbone interact. energy: -0.586
local terms energy: -326.440090
where:
bonds (distance) C4'-P energy: -63.305
bonds (distance) P-C4' energy: -61.377
flat angles C4'-P-C4' energy: -72.022
flat angles P-C4'-P energy: -52.089
tors. eta vs tors. theta energy: -77.647
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: 4
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -921.484394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.484394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.484394 (E_RNA)
where:
Base-Base interactions energy: -626.129
where: short stacking energy: -265.147
Base-Backbone interact. energy: 0.553
local terms energy: -295.908548
where:
bonds (distance) C4'-P energy: -51.045
bonds (distance) P-C4' energy: -63.161
flat angles C4'-P-C4' energy: -64.446
flat angles P-C4'-P energy: -42.978
tors. eta vs tors. theta energy: -74.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -859.305687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.305687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.305687 (E_RNA)
where:
Base-Base interactions energy: -586.842
where: short stacking energy: -249.744
Base-Backbone interact. energy: -0.673
local terms energy: -271.790633
where:
bonds (distance) C4'-P energy: -51.965
bonds (distance) P-C4' energy: -57.259
flat angles C4'-P-C4' energy: -63.550
flat angles P-C4'-P energy: -39.920
tors. eta vs tors. theta energy: -59.097
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: 6
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -759.168432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.168432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.168432 (E_RNA)
where:
Base-Base interactions energy: -518.980
where: short stacking energy: -209.912
Base-Backbone interact. energy: -0.530
local terms energy: -239.658107
where:
bonds (distance) C4'-P energy: -48.398
bonds (distance) P-C4' energy: -45.130
flat angles C4'-P-C4' energy: -64.708
flat angles P-C4'-P energy: -38.620
tors. eta vs tors. theta energy: -42.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -827.063111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.063111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.063111 (E_RNA)
where:
Base-Base interactions energy: -542.470
where: short stacking energy: -237.083
Base-Backbone interact. energy: -0.548
local terms energy: -284.044605
where:
bonds (distance) C4'-P energy: -67.466
bonds (distance) P-C4' energy: -53.709
flat angles C4'-P-C4' energy: -63.346
flat angles P-C4'-P energy: -42.514
tors. eta vs tors. theta energy: -57.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -413.256050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.256050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.256050 (E_RNA)
where:
Base-Base interactions energy: -202.241
where: short stacking energy: -88.302
Base-Backbone interact. energy: 1.346
local terms energy: -212.360354
where:
bonds (distance) C4'-P energy: -55.950
bonds (distance) P-C4' energy: -63.257
flat angles C4'-P-C4' energy: -59.042
flat angles P-C4'-P energy: -30.644
tors. eta vs tors. theta energy: -3.468
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: 7
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -455.445324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.445324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.445324 (E_RNA)
where:
Base-Base interactions energy: -245.225
where: short stacking energy: -121.222
Base-Backbone interact. energy: -1.692
local terms energy: -208.528806
where:
bonds (distance) C4'-P energy: -54.467
bonds (distance) P-C4' energy: -55.414
flat angles C4'-P-C4' energy: -46.039
flat angles P-C4'-P energy: -41.047
tors. eta vs tors. theta energy: -11.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -1190.130485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.130485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.130485 (E_RNA)
where:
Base-Base interactions energy: -809.537
where: short stacking energy: -359.461
Base-Backbone interact. energy: 0.977
local terms energy: -381.570378
where:
bonds (distance) C4'-P energy: -65.791
bonds (distance) P-C4' energy: -70.465
flat angles C4'-P-C4' energy: -83.039
flat angles P-C4'-P energy: -52.852
tors. eta vs tors. theta energy: -109.424
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: 8
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -1134.617446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.617446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.617446 (E_RNA)
where:
Base-Base interactions energy: -785.393
where: short stacking energy: -334.399
Base-Backbone interact. energy: 2.679
local terms energy: -351.903747
where:
bonds (distance) C4'-P energy: -65.882
bonds (distance) P-C4' energy: -71.371
flat angles C4'-P-C4' energy: -68.621
flat angles P-C4'-P energy: -52.125
tors. eta vs tors. theta energy: -93.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -1062.195877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.195877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.195877 (E_RNA)
where:
Base-Base interactions energy: -727.238
where: short stacking energy: -326.324
Base-Backbone interact. energy: 1.098
local terms energy: -336.055582
where:
bonds (distance) C4'-P energy: -62.702
bonds (distance) P-C4' energy: -67.635
flat angles C4'-P-C4' energy: -70.349
flat angles P-C4'-P energy: -48.384
tors. eta vs tors. theta energy: -86.986
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: 4, replica: 2
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -1074.041155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.041155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.041155 (E_RNA)
where:
Base-Base interactions energy: -757.020
where: short stacking energy: -320.212
Base-Backbone interact. energy: -2.957
local terms energy: -314.064233
where:
bonds (distance) C4'-P energy: -56.966
bonds (distance) P-C4' energy: -57.186
flat angles C4'-P-C4' energy: -65.895
flat angles P-C4'-P energy: -39.994
tors. eta vs tors. theta energy: -94.024
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: 4
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -935.405357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.405357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.405357 (E_RNA)
where:
Base-Base interactions energy: -640.393
where: short stacking energy: -297.991
Base-Backbone interact. energy: -1.074
local terms energy: -293.937597
where:
bonds (distance) C4'-P energy: -45.063
bonds (distance) P-C4' energy: -65.779
flat angles C4'-P-C4' energy: -65.604
flat angles P-C4'-P energy: -36.341
tors. eta vs tors. theta energy: -81.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -873.733749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.733749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.733749 (E_RNA)
where:
Base-Base interactions energy: -594.271
where: short stacking energy: -271.469
Base-Backbone interact. energy: -0.195
local terms energy: -279.267226
where:
bonds (distance) C4'-P energy: -53.223
bonds (distance) P-C4' energy: -59.519
flat angles C4'-P-C4' energy: -61.549
flat angles P-C4'-P energy: -31.635
tors. eta vs tors. theta energy: -73.341
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: 9
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -835.651002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.651002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.651002 (E_RNA)
where:
Base-Base interactions energy: -561.240
where: short stacking energy: -235.492
Base-Backbone interact. energy: -1.279
local terms energy: -273.132395
where:
bonds (distance) C4'-P energy: -54.221
bonds (distance) P-C4' energy: -65.293
flat angles C4'-P-C4' energy: -60.379
flat angles P-C4'-P energy: -34.393
tors. eta vs tors. theta energy: -58.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -811.431839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.431839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.431839 (E_RNA)
where:
Base-Base interactions energy: -530.382
where: short stacking energy: -239.294
Base-Backbone interact. energy: -1.605
local terms energy: -279.444488
where:
bonds (distance) C4'-P energy: -50.318
bonds (distance) P-C4' energy: -70.353
flat angles C4'-P-C4' energy: -66.105
flat angles P-C4'-P energy: -45.984
tors. eta vs tors. theta energy: -46.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -434.712129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.712129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.712129 (E_RNA)
where:
Base-Base interactions energy: -245.656
where: short stacking energy: -138.611
Base-Backbone interact. energy: -0.174
local terms energy: -188.882098
where:
bonds (distance) C4'-P energy: -44.285
bonds (distance) P-C4' energy: -49.961
flat angles C4'-P-C4' energy: -48.819
flat angles P-C4'-P energy: -37.498
tors. eta vs tors. theta energy: -8.321
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: 10, replica: 7
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -407.948909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.948909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.948909 (E_RNA)
where:
Base-Base interactions energy: -225.203
where: short stacking energy: -110.094
Base-Backbone interact. energy: 1.869
local terms energy: -184.615465
where:
bonds (distance) C4'-P energy: -54.565
bonds (distance) P-C4' energy: -58.316
flat angles C4'-P-C4' energy: -60.115
flat angles P-C4'-P energy: -20.859
tors. eta vs tors. theta energy: 9.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -1205.088755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.088755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.088755 (E_RNA)
where:
Base-Base interactions energy: -847.581
where: short stacking energy: -368.945
Base-Backbone interact. energy: 0.386
local terms energy: -357.892869
where:
bonds (distance) C4'-P energy: -61.690
bonds (distance) P-C4' energy: -62.400
flat angles C4'-P-C4' energy: -77.664
flat angles P-C4'-P energy: -49.596
tors. eta vs tors. theta energy: -106.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -1119.344931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.344931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.344931 (E_RNA)
where:
Base-Base interactions energy: -778.211
where: short stacking energy: -332.420
Base-Backbone interact. energy: -1.942
local terms energy: -339.192184
where:
bonds (distance) C4'-P energy: -50.435
bonds (distance) P-C4' energy: -66.742
flat angles C4'-P-C4' energy: -73.323
flat angles P-C4'-P energy: -53.422
tors. eta vs tors. theta energy: -95.270
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: 10
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -1080.395925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.395925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.395925 (E_RNA)
where:
Base-Base interactions energy: -743.852
where: short stacking energy: -334.195
Base-Backbone interact. energy: -1.491
local terms energy: -335.053205
where:
bonds (distance) C4'-P energy: -61.662
bonds (distance) P-C4' energy: -53.918
flat angles C4'-P-C4' energy: -70.988
flat angles P-C4'-P energy: -44.623
tors. eta vs tors. theta energy: -103.863
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: 4, replica: 2
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -1044.760245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.760245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.760245 (E_RNA)
where:
Base-Base interactions energy: -723.365
where: short stacking energy: -324.063
Base-Backbone interact. energy: -2.390
local terms energy: -319.005922
where:
bonds (distance) C4'-P energy: -62.856
bonds (distance) P-C4' energy: -59.441
flat angles C4'-P-C4' energy: -73.417
flat angles P-C4'-P energy: -35.326
tors. eta vs tors. theta energy: -87.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -931.362146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.362146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.362146 (E_RNA)
where:
Base-Base interactions energy: -632.777
where: short stacking energy: -286.416
Base-Backbone interact. energy: -1.671
local terms energy: -296.915049
where:
bonds (distance) C4'-P energy: -55.399
bonds (distance) P-C4' energy: -55.250
flat angles C4'-P-C4' energy: -64.018
flat angles P-C4'-P energy: -42.956
tors. eta vs tors. theta energy: -79.292
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: 6, replica: 3
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -909.523862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.523862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.523862 (E_RNA)
where:
Base-Base interactions energy: -625.789
where: short stacking energy: -280.879
Base-Backbone interact. energy: -3.039
local terms energy: -280.696190
where:
bonds (distance) C4'-P energy: -54.019
bonds (distance) P-C4' energy: -54.232
flat angles C4'-P-C4' energy: -58.570
flat angles P-C4'-P energy: -46.300
tors. eta vs tors. theta energy: -67.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -832.867726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.867726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.867726 (E_RNA)
where:
Base-Base interactions energy: -545.029
where: short stacking energy: -229.960
Base-Backbone interact. energy: -0.862
local terms energy: -286.976786
where:
bonds (distance) C4'-P energy: -55.686
bonds (distance) P-C4' energy: -54.846
flat angles C4'-P-C4' energy: -69.248
flat angles P-C4'-P energy: -39.701
tors. eta vs tors. theta energy: -67.495
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: 6
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -788.648814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.648814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.648814 (E_RNA)
where:
Base-Base interactions energy: -528.716
where: short stacking energy: -235.242
Base-Backbone interact. energy: -1.010
local terms energy: -258.922461
where:
bonds (distance) C4'-P energy: -44.905
bonds (distance) P-C4' energy: -71.874
flat angles C4'-P-C4' energy: -58.617
flat angles P-C4'-P energy: -41.066
tors. eta vs tors. theta energy: -42.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -465.477591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.477591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.477591 (E_RNA)
where:
Base-Base interactions energy: -244.585
where: short stacking energy: -132.982
Base-Backbone interact. energy: -0.929
local terms energy: -219.963980
where:
bonds (distance) C4'-P energy: -56.122
bonds (distance) P-C4' energy: -55.910
flat angles C4'-P-C4' energy: -48.645
flat angles P-C4'-P energy: -41.148
tors. eta vs tors. theta energy: -18.139
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: 7
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -423.727465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.727465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.727465 (E_RNA)
where:
Base-Base interactions energy: -222.245
where: short stacking energy: -131.778
Base-Backbone interact. energy: -1.366
local terms energy: -200.116036
where:
bonds (distance) C4'-P energy: -54.419
bonds (distance) P-C4' energy: -50.245
flat angles C4'-P-C4' energy: -50.609
flat angles P-C4'-P energy: -32.246
tors. eta vs tors. theta energy: -12.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -1198.875334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.875334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.875334 (E_RNA)
where:
Base-Base interactions energy: -834.614
where: short stacking energy: -356.376
Base-Backbone interact. energy: -1.446
local terms energy: -362.815273
where:
bonds (distance) C4'-P energy: -59.756
bonds (distance) P-C4' energy: -71.243
flat angles C4'-P-C4' energy: -72.479
flat angles P-C4'-P energy: -55.971
tors. eta vs tors. theta energy: -103.366
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: 8
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -1130.825203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.825203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.825203 (E_RNA)
where:
Base-Base interactions energy: -799.797
where: short stacking energy: -340.929
Base-Backbone interact. energy: 6.735
local terms energy: -337.763659
where:
bonds (distance) C4'-P energy: -62.548
bonds (distance) P-C4' energy: -63.590
flat angles C4'-P-C4' energy: -76.295
flat angles P-C4'-P energy: -47.978
tors. eta vs tors. theta energy: -87.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -1105.412033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.412033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.412033 (E_RNA)
where:
Base-Base interactions energy: -758.372
where: short stacking energy: -341.345
Base-Backbone interact. energy: -0.318
local terms energy: -346.722560
where:
bonds (distance) C4'-P energy: -74.669
bonds (distance) P-C4' energy: -57.391
flat angles C4'-P-C4' energy: -72.762
flat angles P-C4'-P energy: -44.751
tors. eta vs tors. theta energy: -97.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -1023.903879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.903879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.903879 (E_RNA)
where:
Base-Base interactions energy: -700.244
where: short stacking energy: -304.820
Base-Backbone interact. energy: -0.230
local terms energy: -323.429498
where:
bonds (distance) C4'-P energy: -48.854
bonds (distance) P-C4' energy: -69.451
flat angles C4'-P-C4' energy: -67.094
flat angles P-C4'-P energy: -46.592
tors. eta vs tors. theta energy: -91.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -958.642560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.642560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.642560 (E_RNA)
where:
Base-Base interactions energy: -658.989
where: short stacking energy: -281.986
Base-Backbone interact. energy: -2.179
local terms energy: -297.475346
where:
bonds (distance) C4'-P energy: -49.079
bonds (distance) P-C4' energy: -58.208
flat angles C4'-P-C4' energy: -68.176
flat angles P-C4'-P energy: -38.025
tors. eta vs tors. theta energy: -83.987
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: 6, replica: 3
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -875.180172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.180172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.180172 (E_RNA)
where:
Base-Base interactions energy: -604.095
where: short stacking energy: -271.546
Base-Backbone interact. energy: -0.361
local terms energy: -270.723536
where:
bonds (distance) C4'-P energy: -50.882
bonds (distance) P-C4' energy: -41.797
flat angles C4'-P-C4' energy: -60.885
flat angles P-C4'-P energy: -44.979
tors. eta vs tors. theta energy: -72.181
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: 7, replica: 9
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -810.680050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.680050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.680050 (E_RNA)
where:
Base-Base interactions energy: -551.426
where: short stacking energy: -223.634
Base-Backbone interact. energy: -1.957
local terms energy: -257.297523
where:
bonds (distance) C4'-P energy: -52.673
bonds (distance) P-C4' energy: -56.695
flat angles C4'-P-C4' energy: -55.537
flat angles P-C4'-P energy: -34.461
tors. eta vs tors. theta energy: -57.931
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: 6
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -793.393653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.393653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.393653 (E_RNA)
where:
Base-Base interactions energy: -536.466
where: short stacking energy: -226.531
Base-Backbone interact. energy: 0.190
local terms energy: -257.117872
where:
bonds (distance) C4'-P energy: -53.554
bonds (distance) P-C4' energy: -68.553
flat angles C4'-P-C4' energy: -54.998
flat angles P-C4'-P energy: -29.474
tors. eta vs tors. theta energy: -50.540
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: 5
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -442.722505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.722505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.722505 (E_RNA)
where:
Base-Base interactions energy: -241.896
where: short stacking energy: -145.708
Base-Backbone interact. energy: -2.035
local terms energy: -198.791506
where:
bonds (distance) C4'-P energy: -53.916
bonds (distance) P-C4' energy: -51.054
flat angles C4'-P-C4' energy: -46.539
flat angles P-C4'-P energy: -23.472
tors. eta vs tors. theta energy: -23.809
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: 7
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -415.356085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.356085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.356085 (E_RNA)
where:
Base-Base interactions energy: -245.128
where: short stacking energy: -126.814
Base-Backbone interact. energy: -1.113
local terms energy: -169.115023
where:
bonds (distance) C4'-P energy: -43.398
bonds (distance) P-C4' energy: -46.833
flat angles C4'-P-C4' energy: -37.000
flat angles P-C4'-P energy: -28.486
tors. eta vs tors. theta energy: -13.399
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: 1
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -1198.746471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.746471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.746471 (E_RNA)
where:
Base-Base interactions energy: -827.760
where: short stacking energy: -351.921
Base-Backbone interact. energy: -0.324
local terms energy: -370.662835
where:
bonds (distance) C4'-P energy: -63.008
bonds (distance) P-C4' energy: -65.367
flat angles C4'-P-C4' energy: -79.201
flat angles P-C4'-P energy: -53.134
tors. eta vs tors. theta energy: -109.952
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: 2, replica: 8
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -1135.708464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.708464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.708464 (E_RNA)
where:
Base-Base interactions energy: -790.615
where: short stacking energy: -332.893
Base-Backbone interact. energy: 2.175
local terms energy: -347.268067
where:
bonds (distance) C4'-P energy: -70.721
bonds (distance) P-C4' energy: -62.475
flat angles C4'-P-C4' energy: -70.930
flat angles P-C4'-P energy: -50.769
tors. eta vs tors. theta energy: -92.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -1079.428167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.428167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.428167 (E_RNA)
where:
Base-Base interactions energy: -735.315
where: short stacking energy: -348.189
Base-Backbone interact. energy: 0.707
local terms energy: -344.820177
where:
bonds (distance) C4'-P energy: -61.646
bonds (distance) P-C4' energy: -65.999
flat angles C4'-P-C4' energy: -69.052
flat angles P-C4'-P energy: -50.094
tors. eta vs tors. theta energy: -98.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -1013.048226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.048226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.048226 (E_RNA)
where:
Base-Base interactions energy: -678.340
where: short stacking energy: -296.459
Base-Backbone interact. energy: -2.416
local terms energy: -332.291594
where:
bonds (distance) C4'-P energy: -62.353
bonds (distance) P-C4' energy: -69.670
flat angles C4'-P-C4' energy: -70.866
flat angles P-C4'-P energy: -42.390
tors. eta vs tors. theta energy: -87.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -982.130287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.130287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.130287 (E_RNA)
where:
Base-Base interactions energy: -656.020
where: short stacking energy: -284.796
Base-Backbone interact. energy: -0.377
local terms energy: -325.733225
where:
bonds (distance) C4'-P energy: -57.586
bonds (distance) P-C4' energy: -55.530
flat angles C4'-P-C4' energy: -77.874
flat angles P-C4'-P energy: -52.335
tors. eta vs tors. theta energy: -82.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -844.975783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.975783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.975783 (E_RNA)
where:
Base-Base interactions energy: -563.256
where: short stacking energy: -247.713
Base-Backbone interact. energy: -1.957
local terms energy: -279.762434
where:
bonds (distance) C4'-P energy: -51.906
bonds (distance) P-C4' energy: -59.649
flat angles C4'-P-C4' energy: -64.778
flat angles P-C4'-P energy: -41.113
tors. eta vs tors. theta energy: -62.317
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: 9
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -797.498056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.498056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.498056 (E_RNA)
where:
Base-Base interactions energy: -518.760
where: short stacking energy: -230.194
Base-Backbone interact. energy: -1.776
local terms energy: -276.962139
where:
bonds (distance) C4'-P energy: -51.076
bonds (distance) P-C4' energy: -64.902
flat angles C4'-P-C4' energy: -64.981
flat angles P-C4'-P energy: -40.749
tors. eta vs tors. theta energy: -55.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -844.889703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.889703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.889703 (E_RNA)
where:
Base-Base interactions energy: -557.967
where: short stacking energy: -236.547
Base-Backbone interact. energy: -1.140
local terms energy: -285.782403
where:
bonds (distance) C4'-P energy: -56.450
bonds (distance) P-C4' energy: -60.901
flat angles C4'-P-C4' energy: -72.258
flat angles P-C4'-P energy: -39.590
tors. eta vs tors. theta energy: -56.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -437.676118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.676118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.676118 (E_RNA)
where:
Base-Base interactions energy: -230.720
where: short stacking energy: -126.931
Base-Backbone interact. energy: 0.193
local terms energy: -207.149335
where:
bonds (distance) C4'-P energy: -58.136
bonds (distance) P-C4' energy: -60.669
flat angles C4'-P-C4' energy: -48.610
flat angles P-C4'-P energy: -32.640
tors. eta vs tors. theta energy: -7.095
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: 7
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -435.046474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.046474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.046474 (E_RNA)
where:
Base-Base interactions energy: -223.461
where: short stacking energy: -133.045
Base-Backbone interact. energy: 0.208
local terms energy: -211.792994
where:
bonds (distance) C4'-P energy: -56.352
bonds (distance) P-C4' energy: -49.553
flat angles C4'-P-C4' energy: -63.859
flat angles P-C4'-P energy: -25.195
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: 1
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -1200.511702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.511702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.511702 (E_RNA)
where:
Base-Base interactions energy: -812.402
where: short stacking energy: -368.945
Base-Backbone interact. energy: -1.218
local terms energy: -386.891478
where:
bonds (distance) C4'-P energy: -67.379
bonds (distance) P-C4' energy: -70.489
flat angles C4'-P-C4' energy: -79.516
flat angles P-C4'-P energy: -59.067
tors. eta vs tors. theta energy: -110.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -1115.059681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.059681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.059681 (E_RNA)
where:
Base-Base interactions energy: -779.098
where: short stacking energy: -313.041
Base-Backbone interact. energy: -1.129
local terms energy: -334.832631
where:
bonds (distance) C4'-P energy: -56.522
bonds (distance) P-C4' energy: -69.896
flat angles C4'-P-C4' energy: -72.104
flat angles P-C4'-P energy: -48.946
tors. eta vs tors. theta energy: -87.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -1074.541809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.541809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.541809 (E_RNA)
where:
Base-Base interactions energy: -745.837
where: short stacking energy: -333.502
Base-Backbone interact. energy: -1.150
local terms energy: -327.554813
where:
bonds (distance) C4'-P energy: -57.072
bonds (distance) P-C4' energy: -62.052
flat angles C4'-P-C4' energy: -76.183
flat angles P-C4'-P energy: -43.977
tors. eta vs tors. theta energy: -88.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -1021.159336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.159336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.159336 (E_RNA)
where:
Base-Base interactions energy: -695.136
where: short stacking energy: -301.250
Base-Backbone interact. energy: -0.584
local terms energy: -325.439385
where:
bonds (distance) C4'-P energy: -56.673
bonds (distance) P-C4' energy: -68.021
flat angles C4'-P-C4' energy: -69.630
flat angles P-C4'-P energy: -51.805
tors. eta vs tors. theta energy: -79.310
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: 4
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -955.982120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.982120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.982120 (E_RNA)
where:
Base-Base interactions energy: -645.750
where: short stacking energy: -278.693
Base-Backbone interact. energy: 0.485
local terms energy: -310.716957
where:
bonds (distance) C4'-P energy: -68.963
bonds (distance) P-C4' energy: -57.081
flat angles C4'-P-C4' energy: -71.191
flat angles P-C4'-P energy: -36.688
tors. eta vs tors. theta energy: -76.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -835.680371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.680371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.680371 (E_RNA)
where:
Base-Base interactions energy: -561.421
where: short stacking energy: -260.976
Base-Backbone interact. energy: -0.601
local terms energy: -273.657461
where:
bonds (distance) C4'-P energy: -51.515
bonds (distance) P-C4' energy: -59.950
flat angles C4'-P-C4' energy: -61.665
flat angles P-C4'-P energy: -38.881
tors. eta vs tors. theta energy: -61.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -848.020487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.020487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.020487 (E_RNA)
where:
Base-Base interactions energy: -573.749
where: short stacking energy: -247.056
Base-Backbone interact. energy: -0.214
local terms energy: -274.058118
where:
bonds (distance) C4'-P energy: -51.150
bonds (distance) P-C4' energy: -61.484
flat angles C4'-P-C4' energy: -63.021
flat angles P-C4'-P energy: -39.045
tors. eta vs tors. theta energy: -59.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -790.232117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.232117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.232117 (E_RNA)
where:
Base-Base interactions energy: -534.943
where: short stacking energy: -211.701
Base-Backbone interact. energy: 0.216
local terms energy: -255.505903
where:
bonds (distance) C4'-P energy: -58.246
bonds (distance) P-C4' energy: -64.419
flat angles C4'-P-C4' energy: -54.244
flat angles P-C4'-P energy: -34.919
tors. eta vs tors. theta energy: -43.677
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: 7
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -458.690960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.690960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.690960 (E_RNA)
where:
Base-Base interactions energy: -244.883
where: short stacking energy: -155.912
Base-Backbone interact. energy: -2.220
local terms energy: -211.588172
where:
bonds (distance) C4'-P energy: -60.084
bonds (distance) P-C4' energy: -50.292
flat angles C4'-P-C4' energy: -53.971
flat angles P-C4'-P energy: -29.283
tors. eta vs tors. theta energy: -17.958
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: 10, replica: 5
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -441.724038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.724038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.724038 (E_RNA)
where:
Base-Base interactions energy: -241.117
where: short stacking energy: -142.026
Base-Backbone interact. energy: -0.010
local terms energy: -200.596909
where:
bonds (distance) C4'-P energy: -51.195
bonds (distance) P-C4' energy: -60.632
flat angles C4'-P-C4' energy: -51.879
flat angles P-C4'-P energy: -29.022
tors. eta vs tors. theta energy: -7.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -1200.272321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.272321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.272321 (E_RNA)
where:
Base-Base interactions energy: -833.352
where: short stacking energy: -358.899
Base-Backbone interact. energy: 1.336
local terms energy: -368.255934
where:
bonds (distance) C4'-P energy: -58.358
bonds (distance) P-C4' energy: -68.486
flat angles C4'-P-C4' energy: -74.666
flat angles P-C4'-P energy: -56.009
tors. eta vs tors. theta energy: -110.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -1139.518803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.518803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.518803 (E_RNA)
where:
Base-Base interactions energy: -807.524
where: short stacking energy: -321.198
Base-Backbone interact. energy: -0.476
local terms energy: -331.518790
where:
bonds (distance) C4'-P energy: -62.872
bonds (distance) P-C4' energy: -59.816
flat angles C4'-P-C4' energy: -73.001
flat angles P-C4'-P energy: -49.462
tors. eta vs tors. theta energy: -86.368
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: 395
Temperature: 1.000000
Total energy: -1056.956493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.956493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.956493 (E_RNA)
where:
Base-Base interactions energy: -712.870
where: short stacking energy: -311.445
Base-Backbone interact. energy: -2.968
local terms energy: -341.118545
where:
bonds (distance) C4'-P energy: -66.603
bonds (distance) P-C4' energy: -63.764
flat angles C4'-P-C4' energy: -73.194
flat angles P-C4'-P energy: -51.141
tors. eta vs tors. theta energy: -86.417
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: 395
Temperature: 1.050000
Total energy: -1000.143536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.143536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.143536 (E_RNA)
where:
Base-Base interactions energy: -672.633
where: short stacking energy: -298.764
Base-Backbone interact. energy: -0.006
local terms energy: -327.504675
where:
bonds (distance) C4'-P energy: -66.907
bonds (distance) P-C4' energy: -62.698
flat angles C4'-P-C4' energy: -69.430
flat angles P-C4'-P energy: -47.092
tors. eta vs tors. theta energy: -81.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -955.731681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.731681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.731681 (E_RNA)
where:
Base-Base interactions energy: -636.639
where: short stacking energy: -278.709
Base-Backbone interact. energy: 1.831
local terms energy: -320.923400
where:
bonds (distance) C4'-P energy: -62.717
bonds (distance) P-C4' energy: -63.478
flat angles C4'-P-C4' energy: -64.128
flat angles P-C4'-P energy: -48.465
tors. eta vs tors. theta energy: -82.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -869.893766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.893766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.893766 (E_RNA)
where:
Base-Base interactions energy: -557.144
where: short stacking energy: -258.309
Base-Backbone interact. energy: 1.077
local terms energy: -313.826905
where:
bonds (distance) C4'-P energy: -61.763
bonds (distance) P-C4' energy: -63.831
flat angles C4'-P-C4' energy: -66.140
flat angles P-C4'-P energy: -47.778
tors. eta vs tors. theta energy: -74.316
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: 6
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -842.603507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.603507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.603507 (E_RNA)
where:
Base-Base interactions energy: -587.586
where: short stacking energy: -248.514
Base-Backbone interact. energy: -0.624
local terms energy: -254.393061
where:
bonds (distance) C4'-P energy: -38.428
bonds (distance) P-C4' energy: -63.402
flat angles C4'-P-C4' energy: -50.566
flat angles P-C4'-P energy: -39.283
tors. eta vs tors. theta energy: -62.714
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: 9
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -779.843615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.843615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.843615 (E_RNA)
where:
Base-Base interactions energy: -528.557
where: short stacking energy: -245.217
Base-Backbone interact. energy: -0.628
local terms energy: -250.658563
where:
bonds (distance) C4'-P energy: -53.851
bonds (distance) P-C4' energy: -43.581
flat angles C4'-P-C4' energy: -59.041
flat angles P-C4'-P energy: -40.988
tors. eta vs tors. theta energy: -53.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -459.889436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.889436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.889436 (E_RNA)
where:
Base-Base interactions energy: -262.663
where: short stacking energy: -139.259
Base-Backbone interact. energy: 1.183
local terms energy: -198.409089
where:
bonds (distance) C4'-P energy: -52.418
bonds (distance) P-C4' energy: -55.233
flat angles C4'-P-C4' energy: -44.224
flat angles P-C4'-P energy: -33.773
tors. eta vs tors. theta energy: -12.761
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: 10, replica: 5
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -430.104324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.104324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.104324 (E_RNA)
where:
Base-Base interactions energy: -238.875
where: short stacking energy: -131.509
Base-Backbone interact. energy: -2.012
local terms energy: -189.217254
where:
bonds (distance) C4'-P energy: -55.696
bonds (distance) P-C4' energy: -54.889
flat angles C4'-P-C4' energy: -38.683
flat angles P-C4'-P energy: -24.527
tors. eta vs tors. theta energy: -15.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -1209.859141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.859141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.859141 (E_RNA)
where:
Base-Base interactions energy: -843.345
where: short stacking energy: -378.674
Base-Backbone interact. energy: -0.176
local terms energy: -366.338281
where:
bonds (distance) C4'-P energy: -62.356
bonds (distance) P-C4' energy: -65.128
flat angles C4'-P-C4' energy: -79.986
flat angles P-C4'-P energy: -50.861
tors. eta vs tors. theta energy: -108.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -1125.185079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.185079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.185079 (E_RNA)
where:
Base-Base interactions energy: -790.660
where: short stacking energy: -327.831
Base-Backbone interact. energy: 7.077
local terms energy: -341.602220
where:
bonds (distance) C4'-P energy: -67.302
bonds (distance) P-C4' energy: -67.646
flat angles C4'-P-C4' energy: -69.655
flat angles P-C4'-P energy: -47.408
tors. eta vs tors. theta energy: -89.592
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: 10
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -1031.824078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.824078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.824078 (E_RNA)
where:
Base-Base interactions energy: -715.713
where: short stacking energy: -301.106
Base-Backbone interact. energy: -1.374
local terms energy: -314.737694
where:
bonds (distance) C4'-P energy: -60.790
bonds (distance) P-C4' energy: -64.251
flat angles C4'-P-C4' energy: -63.607
flat angles P-C4'-P energy: -36.898
tors. eta vs tors. theta energy: -89.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -1070.074665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.074665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.074665 (E_RNA)
where:
Base-Base interactions energy: -740.538
where: short stacking energy: -321.423
Base-Backbone interact. energy: -0.617
local terms energy: -328.919979
where:
bonds (distance) C4'-P energy: -50.674
bonds (distance) P-C4' energy: -62.819
flat angles C4'-P-C4' energy: -69.904
flat angles P-C4'-P energy: -48.143
tors. eta vs tors. theta energy: -97.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -1008.241388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.241388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.241388 (E_RNA)
where:
Base-Base interactions energy: -682.219
where: short stacking energy: -304.202
Base-Backbone interact. energy: -0.967
local terms energy: -325.054830
where:
bonds (distance) C4'-P energy: -62.522
bonds (distance) P-C4' energy: -66.211
flat angles C4'-P-C4' energy: -67.505
flat angles P-C4'-P energy: -47.288
tors. eta vs tors. theta energy: -81.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -892.407561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.407561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.407561 (E_RNA)
where:
Base-Base interactions energy: -604.611
where: short stacking energy: -266.874
Base-Backbone interact. energy: -0.525
local terms energy: -287.271424
where:
bonds (distance) C4'-P energy: -55.156
bonds (distance) P-C4' energy: -70.009
flat angles C4'-P-C4' energy: -54.347
flat angles P-C4'-P energy: -31.559
tors. eta vs tors. theta energy: -76.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -860.102497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.102497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.102497 (E_RNA)
where:
Base-Base interactions energy: -587.296
where: short stacking energy: -245.235
Base-Backbone interact. energy: -0.762
local terms energy: -272.044846
where:
bonds (distance) C4'-P energy: -51.498
bonds (distance) P-C4' energy: -63.099
flat angles C4'-P-C4' energy: -56.288
flat angles P-C4'-P energy: -44.675
tors. eta vs tors. theta energy: -56.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -756.388915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.388915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.388915 (E_RNA)
where:
Base-Base interactions energy: -520.422
where: short stacking energy: -202.257
Base-Backbone interact. energy: -0.975
local terms energy: -234.991776
where:
bonds (distance) C4'-P energy: -53.789
bonds (distance) P-C4' energy: -58.828
flat angles C4'-P-C4' energy: -49.818
flat angles P-C4'-P energy: -33.209
tors. eta vs tors. theta energy: -39.348
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: 7
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -472.904818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.904818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.904818 (E_RNA)
where:
Base-Base interactions energy: -249.509
where: short stacking energy: -136.405
Base-Backbone interact. energy: 1.614
local terms energy: -225.010359
where:
bonds (distance) C4'-P energy: -56.950
bonds (distance) P-C4' energy: -62.739
flat angles C4'-P-C4' energy: -42.334
flat angles P-C4'-P energy: -41.002
tors. eta vs tors. theta energy: -21.984
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: 5
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -434.418829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.418829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.418829 (E_RNA)
where:
Base-Base interactions energy: -235.522
where: short stacking energy: -136.105
Base-Backbone interact. energy: -0.169
local terms energy: -198.727942
where:
bonds (distance) C4'-P energy: -48.226
bonds (distance) P-C4' energy: -59.988
flat angles C4'-P-C4' energy: -47.424
flat angles P-C4'-P energy: -29.352
tors. eta vs tors. theta energy: -13.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -1210.777043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.777043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.777043 (E_RNA)
where:
Base-Base interactions energy: -836.797
where: short stacking energy: -364.420
Base-Backbone interact. energy: -0.383
local terms energy: -373.597351
where:
bonds (distance) C4'-P energy: -60.913
bonds (distance) P-C4' energy: -72.776
flat angles C4'-P-C4' energy: -75.625
flat angles P-C4'-P energy: -56.632
tors. eta vs tors. theta energy: -107.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -1130.302017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.302017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.302017 (E_RNA)
where:
Base-Base interactions energy: -802.916
where: short stacking energy: -331.196
Base-Backbone interact. energy: 4.955
local terms energy: -332.340231
where:
bonds (distance) C4'-P energy: -67.872
bonds (distance) P-C4' energy: -63.927
flat angles C4'-P-C4' energy: -73.382
flat angles P-C4'-P energy: -41.586
tors. eta vs tors. theta energy: -85.574
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: 10
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -1076.383749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.383749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.383749 (E_RNA)
where:
Base-Base interactions energy: -748.295
where: short stacking energy: -326.239
Base-Backbone interact. energy: 0.290
local terms energy: -328.378798
where:
bonds (distance) C4'-P energy: -56.792
bonds (distance) P-C4' energy: -70.497
flat angles C4'-P-C4' energy: -62.144
flat angles P-C4'-P energy: -40.967
tors. eta vs tors. theta energy: -97.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -1062.055886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.055886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.055886 (E_RNA)
where:
Base-Base interactions energy: -716.138
where: short stacking energy: -307.628
Base-Backbone interact. energy: -1.350
local terms energy: -344.568699
where:
bonds (distance) C4'-P energy: -62.245
bonds (distance) P-C4' energy: -67.188
flat angles C4'-P-C4' energy: -78.283
flat angles P-C4'-P energy: -46.361
tors. eta vs tors. theta energy: -90.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -964.919258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.919258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.919258 (E_RNA)
where:
Base-Base interactions energy: -668.732
where: short stacking energy: -299.391
Base-Backbone interact. energy: -0.861
local terms energy: -295.327242
where:
bonds (distance) C4'-P energy: -56.811
bonds (distance) P-C4' energy: -60.129
flat angles C4'-P-C4' energy: -61.493
flat angles P-C4'-P energy: -34.441
tors. eta vs tors. theta energy: -82.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -890.875887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.875887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.875887 (E_RNA)
where:
Base-Base interactions energy: -587.420
where: short stacking energy: -243.552
Base-Backbone interact. energy: -0.266
local terms energy: -303.189168
where:
bonds (distance) C4'-P energy: -61.928
bonds (distance) P-C4' energy: -65.192
flat angles C4'-P-C4' energy: -63.156
flat angles P-C4'-P energy: -37.008
tors. eta vs tors. theta energy: -75.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -825.896646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.896646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.896646 (E_RNA)
where:
Base-Base interactions energy: -548.669
where: short stacking energy: -236.299
Base-Backbone interact. energy: -0.621
local terms energy: -276.606749
where:
bonds (distance) C4'-P energy: -50.564
bonds (distance) P-C4' energy: -61.882
flat angles C4'-P-C4' energy: -54.753
flat angles P-C4'-P energy: -38.560
tors. eta vs tors. theta energy: -70.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -764.023455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.023455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.023455 (E_RNA)
where:
Base-Base interactions energy: -499.545
where: short stacking energy: -207.998
Base-Backbone interact. energy: -1.551
local terms energy: -262.927779
where:
bonds (distance) C4'-P energy: -55.892
bonds (distance) P-C4' energy: -55.014
flat angles C4'-P-C4' energy: -57.722
flat angles P-C4'-P energy: -42.142
tors. eta vs tors. theta energy: -52.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -460.512630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.512630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.512630 (E_RNA)
where:
Base-Base interactions energy: -255.097
where: short stacking energy: -129.211
Base-Backbone interact. energy: 0.860
local terms energy: -206.276359
where:
bonds (distance) C4'-P energy: -49.183
bonds (distance) P-C4' energy: -63.038
flat angles C4'-P-C4' energy: -46.584
flat angles P-C4'-P energy: -34.035
tors. eta vs tors. theta energy: -13.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -443.222374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.222374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.222374 (E_RNA)
where:
Base-Base interactions energy: -237.606
where: short stacking energy: -144.052
Base-Backbone interact. energy: 0.862
local terms energy: -206.478674
where:
bonds (distance) C4'-P energy: -53.588
bonds (distance) P-C4' energy: -62.072
flat angles C4'-P-C4' energy: -49.466
flat angles P-C4'-P energy: -26.506
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: 1, replica: 1
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -1196.104933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.104933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.104933 (E_RNA)
where:
Base-Base interactions energy: -819.356
where: short stacking energy: -368.008
Base-Backbone interact. energy: -0.578
local terms energy: -376.170457
where:
bonds (distance) C4'-P energy: -68.680
bonds (distance) P-C4' energy: -72.588
flat angles C4'-P-C4' energy: -73.751
flat angles P-C4'-P energy: -52.032
tors. eta vs tors. theta energy: -109.119
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: 2, replica: 8
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -1105.775165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.775165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.775165 (E_RNA)
where:
Base-Base interactions energy: -788.067
where: short stacking energy: -314.698
Base-Backbone interact. energy: 4.738
local terms energy: -322.445792
where:
bonds (distance) C4'-P energy: -66.379
bonds (distance) P-C4' energy: -65.221
flat angles C4'-P-C4' energy: -70.702
flat angles P-C4'-P energy: -46.074
tors. eta vs tors. theta energy: -74.070
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: 398
Temperature: 1.000000
Total energy: -1065.190992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.190992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.190992 (E_RNA)
where:
Base-Base interactions energy: -730.906
where: short stacking energy: -318.061
Base-Backbone interact. energy: -1.432
local terms energy: -332.852339
where:
bonds (distance) C4'-P energy: -69.416
bonds (distance) P-C4' energy: -60.829
flat angles C4'-P-C4' energy: -70.394
flat angles P-C4'-P energy: -43.192
tors. eta vs tors. theta energy: -89.021
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: 398
Temperature: 1.050000
Total energy: -1071.944249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.944249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.944249 (E_RNA)
where:
Base-Base interactions energy: -745.369
where: short stacking energy: -325.365
Base-Backbone interact. energy: 1.352
local terms energy: -327.927708
where:
bonds (distance) C4'-P energy: -57.882
bonds (distance) P-C4' energy: -64.006
flat angles C4'-P-C4' energy: -67.348
flat angles P-C4'-P energy: -49.392
tors. eta vs tors. theta energy: -89.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -930.618990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.618990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.618990 (E_RNA)
where:
Base-Base interactions energy: -640.540
where: short stacking energy: -257.708
Base-Backbone interact. energy: -0.548
local terms energy: -289.531743
where:
bonds (distance) C4'-P energy: -63.895
bonds (distance) P-C4' energy: -55.359
flat angles C4'-P-C4' energy: -56.568
flat angles P-C4'-P energy: -43.813
tors. eta vs tors. theta energy: -69.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -941.435457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.435457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.435457 (E_RNA)
where:
Base-Base interactions energy: -631.405
where: short stacking energy: -274.241
Base-Backbone interact. energy: -1.649
local terms energy: -308.381459
where:
bonds (distance) C4'-P energy: -61.935
bonds (distance) P-C4' energy: -59.512
flat angles C4'-P-C4' energy: -61.680
flat angles P-C4'-P energy: -45.394
tors. eta vs tors. theta energy: -79.861
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: 9
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -824.879518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.879518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.879518 (E_RNA)
where:
Base-Base interactions energy: -527.550
where: short stacking energy: -233.906
Base-Backbone interact. energy: 0.629
local terms energy: -297.958178
where:
bonds (distance) C4'-P energy: -58.797
bonds (distance) P-C4' energy: -56.645
flat angles C4'-P-C4' energy: -72.816
flat angles P-C4'-P energy: -45.974
tors. eta vs tors. theta energy: -63.725
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: 398
Temperature: 1.250000
Total energy: -786.033752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.033752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.033752 (E_RNA)
where:
Base-Base interactions energy: -517.837
where: short stacking energy: -217.798
Base-Backbone interact. energy: -1.562
local terms energy: -266.634518
where:
bonds (distance) C4'-P energy: -59.271
bonds (distance) P-C4' energy: -64.617
flat angles C4'-P-C4' energy: -70.482
flat angles P-C4'-P energy: -25.036
tors. eta vs tors. theta energy: -47.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -482.216665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.216665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.216665 (E_RNA)
where:
Base-Base interactions energy: -274.564
where: short stacking energy: -148.598
Base-Backbone interact. energy: -0.914
local terms energy: -206.739330
where:
bonds (distance) C4'-P energy: -41.421
bonds (distance) P-C4' energy: -44.831
flat angles C4'-P-C4' energy: -55.768
flat angles P-C4'-P energy: -28.167
tors. eta vs tors. theta energy: -36.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -433.570864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.570864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.570864 (E_RNA)
where:
Base-Base interactions energy: -242.353
where: short stacking energy: -135.125
Base-Backbone interact. energy: -0.571
local terms energy: -190.647078
where:
bonds (distance) C4'-P energy: -48.208
bonds (distance) P-C4' energy: -57.407
flat angles C4'-P-C4' energy: -44.942
flat angles P-C4'-P energy: -36.366
tors. eta vs tors. theta energy: -3.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -1205.734202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.734202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.734202 (E_RNA)
where:
Base-Base interactions energy: -834.155
where: short stacking energy: -367.453
Base-Backbone interact. energy: -0.208
local terms energy: -371.371104
where:
bonds (distance) C4'-P energy: -64.662
bonds (distance) P-C4' energy: -73.284
flat angles C4'-P-C4' energy: -71.217
flat angles P-C4'-P energy: -54.973
tors. eta vs tors. theta energy: -107.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -1130.492983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.492983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.492983 (E_RNA)
where:
Base-Base interactions energy: -784.610
where: short stacking energy: -331.558
Base-Backbone interact. energy: -0.318
local terms energy: -345.564803
where:
bonds (distance) C4'-P energy: -53.804
bonds (distance) P-C4' energy: -72.553
flat angles C4'-P-C4' energy: -78.404
flat angles P-C4'-P energy: -56.478
tors. eta vs tors. theta energy: -84.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -1056.993580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.993580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.993580 (E_RNA)
where:
Base-Base interactions energy: -719.688
where: short stacking energy: -310.652
Base-Backbone interact. energy: 0.063
local terms energy: -337.368106
where:
bonds (distance) C4'-P energy: -66.688
bonds (distance) P-C4' energy: -58.046
flat angles C4'-P-C4' energy: -75.774
flat angles P-C4'-P energy: -45.323
tors. eta vs tors. theta energy: -91.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -1048.850165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.850165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.850165 (E_RNA)
where:
Base-Base interactions energy: -706.547
where: short stacking energy: -292.666
Base-Backbone interact. energy: 0.550
local terms energy: -342.853358
where:
bonds (distance) C4'-P energy: -60.733
bonds (distance) P-C4' energy: -65.312
flat angles C4'-P-C4' energy: -78.964
flat angles P-C4'-P energy: -49.067
tors. eta vs tors. theta energy: -88.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -916.603286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.603286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.603286 (E_RNA)
where:
Base-Base interactions energy: -623.874
where: short stacking energy: -278.007
Base-Backbone interact. energy: -0.260
local terms energy: -292.468881
where:
bonds (distance) C4'-P energy: -55.664
bonds (distance) P-C4' energy: -57.583
flat angles C4'-P-C4' energy: -69.061
flat angles P-C4'-P energy: -44.897
tors. eta vs tors. theta energy: -65.263
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: 4
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -935.235710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.235710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.235710 (E_RNA)
where:
Base-Base interactions energy: -627.866
where: short stacking energy: -263.510
Base-Backbone interact. energy: -0.987
local terms energy: -306.382190
where:
bonds (distance) C4'-P energy: -55.968
bonds (distance) P-C4' energy: -60.088
flat angles C4'-P-C4' energy: -59.841
flat angles P-C4'-P energy: -50.916
tors. eta vs tors. theta energy: -79.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -794.344963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.344963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.344963 (E_RNA)
where:
Base-Base interactions energy: -515.044
where: short stacking energy: -217.996
Base-Backbone interact. energy: -0.516
local terms energy: -278.785331
where:
bonds (distance) C4'-P energy: -64.743
bonds (distance) P-C4' energy: -60.750
flat angles C4'-P-C4' energy: -71.791
flat angles P-C4'-P energy: -34.793
tors. eta vs tors. theta energy: -46.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -765.785949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.785949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.785949 (E_RNA)
where:
Base-Base interactions energy: -517.187
where: short stacking energy: -228.169
Base-Backbone interact. energy: -1.402
local terms energy: -247.196817
where:
bonds (distance) C4'-P energy: -52.369
bonds (distance) P-C4' energy: -56.725
flat angles C4'-P-C4' energy: -60.984
flat angles P-C4'-P energy: -29.413
tors. eta vs tors. theta energy: -47.706
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: 9, replica: 5
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -471.818262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.818262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.818262 (E_RNA)
where:
Base-Base interactions energy: -263.084
where: short stacking energy: -155.021
Base-Backbone interact. energy: -1.969
local terms energy: -206.764959
where:
bonds (distance) C4'-P energy: -57.028
bonds (distance) P-C4' energy: -60.560
flat angles C4'-P-C4' energy: -53.876
flat angles P-C4'-P energy: -22.153
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: 10, replica: 7
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -445.142310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.142310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.142310 (E_RNA)
where:
Base-Base interactions energy: -251.567
where: short stacking energy: -139.500
Base-Backbone interact. energy: -1.878
local terms energy: -191.697408
where:
bonds (distance) C4'-P energy: -49.030
bonds (distance) P-C4' energy: -61.390
flat angles C4'-P-C4' energy: -41.336
flat angles P-C4'-P energy: -26.239
tors. eta vs tors. theta energy: -13.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -1201.427527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.427527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.427527 (E_RNA)
where:
Base-Base interactions energy: -842.727
where: short stacking energy: -370.147
Base-Backbone interact. energy: 1.231
local terms energy: -359.932173
where:
bonds (distance) C4'-P energy: -50.820
bonds (distance) P-C4' energy: -70.475
flat angles C4'-P-C4' energy: -80.144
flat angles P-C4'-P energy: -52.013
tors. eta vs tors. theta energy: -106.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -1122.206960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.206960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.206960 (E_RNA)
where:
Base-Base interactions energy: -781.504
where: short stacking energy: -318.196
Base-Backbone interact. energy: -1.180
local terms energy: -339.522894
where:
bonds (distance) C4'-P energy: -62.102
bonds (distance) P-C4' energy: -62.067
flat angles C4'-P-C4' energy: -72.496
flat angles P-C4'-P energy: -54.096
tors. eta vs tors. theta energy: -88.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -1087.727512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.727512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.727512 (E_RNA)
where:
Base-Base interactions energy: -745.306
where: short stacking energy: -334.441
Base-Backbone interact. energy: -0.250
local terms energy: -342.171485
where:
bonds (distance) C4'-P energy: -62.711
bonds (distance) P-C4' energy: -57.902
flat angles C4'-P-C4' energy: -76.000
flat angles P-C4'-P energy: -50.346
tors. eta vs tors. theta energy: -95.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -1031.520271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.520271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.520271 (E_RNA)
where:
Base-Base interactions energy: -707.915
where: short stacking energy: -291.903
Base-Backbone interact. energy: -2.661
local terms energy: -320.943749
where:
bonds (distance) C4'-P energy: -47.956
bonds (distance) P-C4' energy: -61.861
flat angles C4'-P-C4' energy: -73.952
flat angles P-C4'-P energy: -50.100
tors. eta vs tors. theta energy: -87.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -916.146975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.146975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.146975 (E_RNA)
where:
Base-Base interactions energy: -611.449
where: short stacking energy: -262.219
Base-Backbone interact. energy: -2.707
local terms energy: -301.990804
where:
bonds (distance) C4'-P energy: -49.350
bonds (distance) P-C4' energy: -63.933
flat angles C4'-P-C4' energy: -70.175
flat angles P-C4'-P energy: -52.354
tors. eta vs tors. theta energy: -66.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -934.941067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.941067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.941067 (E_RNA)
where:
Base-Base interactions energy: -638.540
where: short stacking energy: -269.902
Base-Backbone interact. energy: -0.619
local terms energy: -295.782359
where:
bonds (distance) C4'-P energy: -56.528
bonds (distance) P-C4' energy: -67.170
flat angles C4'-P-C4' energy: -60.680
flat angles P-C4'-P energy: -46.600
tors. eta vs tors. theta energy: -64.805
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: 3
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -829.088643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.088643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.088643 (E_RNA)
where:
Base-Base interactions energy: -532.392
where: short stacking energy: -244.681
Base-Backbone interact. energy: -1.481
local terms energy: -295.215420
where:
bonds (distance) C4'-P energy: -51.940
bonds (distance) P-C4' energy: -60.461
flat angles C4'-P-C4' energy: -70.842
flat angles P-C4'-P energy: -53.989
tors. eta vs tors. theta energy: -57.985
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: 9
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -778.669566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.669566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.669566 (E_RNA)
where:
Base-Base interactions energy: -490.639
where: short stacking energy: -220.078
Base-Backbone interact. energy: 2.806
local terms energy: -290.835906
where:
bonds (distance) C4'-P energy: -64.527
bonds (distance) P-C4' energy: -67.060
flat angles C4'-P-C4' energy: -63.229
flat angles P-C4'-P energy: -45.312
tors. eta vs tors. theta energy: -50.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -462.215100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.215100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.215100 (E_RNA)
where:
Base-Base interactions energy: -241.146
where: short stacking energy: -156.545
Base-Backbone interact. energy: -2.332
local terms energy: -218.736869
where:
bonds (distance) C4'-P energy: -50.625
bonds (distance) P-C4' energy: -57.559
flat angles C4'-P-C4' energy: -61.327
flat angles P-C4'-P energy: -23.626
tors. eta vs tors. theta energy: -25.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -446.497585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.497585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.497585 (E_RNA)
where:
Base-Base interactions energy: -233.128
where: short stacking energy: -134.775
Base-Backbone interact. energy: 2.674
local terms energy: -216.043825
where:
bonds (distance) C4'-P energy: -47.595
bonds (distance) P-C4' energy: -65.537
flat angles C4'-P-C4' energy: -53.154
flat angles P-C4'-P energy: -29.793
tors. eta vs tors. theta energy: -19.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -1190.353962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.353962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.353962 (E_RNA)
where:
Base-Base interactions energy: -826.237
where: short stacking energy: -361.208
Base-Backbone interact. energy: 2.809
local terms energy: -366.926314
where:
bonds (distance) C4'-P energy: -64.248
bonds (distance) P-C4' energy: -62.717
flat angles C4'-P-C4' energy: -78.399
flat angles P-C4'-P energy: -53.049
tors. eta vs tors. theta energy: -108.514
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: 8
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -1150.910285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.910285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.910285 (E_RNA)
where:
Base-Base interactions energy: -818.667
where: short stacking energy: -337.003
Base-Backbone interact. energy: 5.019
local terms energy: -337.262795
where:
bonds (distance) C4'-P energy: -61.081
bonds (distance) P-C4' energy: -64.106
flat angles C4'-P-C4' energy: -75.952
flat angles P-C4'-P energy: -52.752
tors. eta vs tors. theta energy: -83.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -1087.293085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.293085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.293085 (E_RNA)
where:
Base-Base interactions energy: -742.150
where: short stacking energy: -329.474
Base-Backbone interact. energy: 1.551
local terms energy: -346.694202
where:
bonds (distance) C4'-P energy: -67.265
bonds (distance) P-C4' energy: -67.847
flat angles C4'-P-C4' energy: -72.868
flat angles P-C4'-P energy: -48.502
tors. eta vs tors. theta energy: -90.212
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: 4, replica: 10
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -1010.918420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.918420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.918420 (E_RNA)
where:
Base-Base interactions energy: -709.976
where: short stacking energy: -280.558
Base-Backbone interact. energy: -1.037
local terms energy: -299.905323
where:
bonds (distance) C4'-P energy: -56.745
bonds (distance) P-C4' energy: -53.900
flat angles C4'-P-C4' energy: -62.636
flat angles P-C4'-P energy: -44.361
tors. eta vs tors. theta energy: -82.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -911.640119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.640119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.640119 (E_RNA)
where:
Base-Base interactions energy: -628.460
where: short stacking energy: -279.008
Base-Backbone interact. energy: -2.817
local terms energy: -280.362776
where:
bonds (distance) C4'-P energy: -55.178
bonds (distance) P-C4' energy: -54.189
flat angles C4'-P-C4' energy: -64.883
flat angles P-C4'-P energy: -40.813
tors. eta vs tors. theta energy: -65.300
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: 4
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -928.813798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.813798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.813798 (E_RNA)
where:
Base-Base interactions energy: -653.186
where: short stacking energy: -267.794
Base-Backbone interact. energy: -0.306
local terms energy: -275.322204
where:
bonds (distance) C4'-P energy: -54.700
bonds (distance) P-C4' energy: -62.956
flat angles C4'-P-C4' energy: -63.733
flat angles P-C4'-P energy: -30.400
tors. eta vs tors. theta energy: -63.533
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: 7, replica: 3
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -826.878861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.878861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.878861 (E_RNA)
where:
Base-Base interactions energy: -533.021
where: short stacking energy: -242.634
Base-Backbone interact. energy: -3.841
local terms energy: -290.017556
where:
bonds (distance) C4'-P energy: -55.717
bonds (distance) P-C4' energy: -66.659
flat angles C4'-P-C4' energy: -59.981
flat angles P-C4'-P energy: -55.406
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: 8, replica: 9
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -758.368152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.368152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.368152 (E_RNA)
where:
Base-Base interactions energy: -509.025
where: short stacking energy: -199.579
Base-Backbone interact. energy: -1.506
local terms energy: -247.836682
where:
bonds (distance) C4'-P energy: -59.904
bonds (distance) P-C4' energy: -54.338
flat angles C4'-P-C4' energy: -48.979
flat angles P-C4'-P energy: -39.521
tors. eta vs tors. theta energy: -45.095
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: 7
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -463.841002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.841002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.841002 (E_RNA)
where:
Base-Base interactions energy: -260.316
where: short stacking energy: -129.584
Base-Backbone interact. energy: -1.307
local terms energy: -202.218283
where:
bonds (distance) C4'-P energy: -56.117
bonds (distance) P-C4' energy: -65.870
flat angles C4'-P-C4' energy: -43.678
flat angles P-C4'-P energy: -21.282
tors. eta vs tors. theta energy: -15.270
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: 10, replica: 5
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -426.693328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.693328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.693328 (E_RNA)
where:
Base-Base interactions energy: -234.989
where: short stacking energy: -141.716
Base-Backbone interact. energy: 0.184
local terms energy: -191.888477
where:
bonds (distance) C4'-P energy: -53.596
bonds (distance) P-C4' energy: -56.807
flat angles C4'-P-C4' energy: -51.559
flat angles P-C4'-P energy: -24.057
tors. eta vs tors. theta energy: -5.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -1207.969079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.969079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.969079 (E_RNA)
where:
Base-Base interactions energy: -831.974
where: short stacking energy: -369.912
Base-Backbone interact. energy: -0.179
local terms energy: -375.816313
where:
bonds (distance) C4'-P energy: -67.150
bonds (distance) P-C4' energy: -73.307
flat angles C4'-P-C4' energy: -73.203
flat angles P-C4'-P energy: -52.737
tors. eta vs tors. theta energy: -109.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -1146.768505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.768505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.768505 (E_RNA)
where:
Base-Base interactions energy: -814.414
where: short stacking energy: -315.176
Base-Backbone interact. energy: 6.327
local terms energy: -338.682132
where:
bonds (distance) C4'-P energy: -65.880
bonds (distance) P-C4' energy: -65.325
flat angles C4'-P-C4' energy: -70.487
flat angles P-C4'-P energy: -55.162
tors. eta vs tors. theta energy: -81.828
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: 402
Temperature: 1.000000
Total energy: -1095.752828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.752828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.752828 (E_RNA)
where:
Base-Base interactions energy: -760.878
where: short stacking energy: -345.521
Base-Backbone interact. energy: -0.567
local terms energy: -334.307057
where:
bonds (distance) C4'-P energy: -55.566
bonds (distance) P-C4' energy: -65.236
flat angles C4'-P-C4' energy: -66.777
flat angles P-C4'-P energy: -54.230
tors. eta vs tors. theta energy: -92.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -1040.136734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.136734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.136734 (E_RNA)
where:
Base-Base interactions energy: -749.241
where: short stacking energy: -306.591
Base-Backbone interact. energy: -0.815
local terms energy: -290.080169
where:
bonds (distance) C4'-P energy: -59.421
bonds (distance) P-C4' energy: -52.085
flat angles C4'-P-C4' energy: -58.357
flat angles P-C4'-P energy: -43.510
tors. eta vs tors. theta energy: -76.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -963.661683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.661683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.661683 (E_RNA)
where:
Base-Base interactions energy: -661.854
where: short stacking energy: -298.465
Base-Backbone interact. energy: 3.371
local terms energy: -305.179290
where:
bonds (distance) C4'-P energy: -68.263
bonds (distance) P-C4' energy: -46.554
flat angles C4'-P-C4' energy: -65.852
flat angles P-C4'-P energy: -44.775
tors. eta vs tors. theta energy: -79.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -876.453764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.453764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.453764 (E_RNA)
where:
Base-Base interactions energy: -585.843
where: short stacking energy: -240.167
Base-Backbone interact. energy: -1.350
local terms energy: -289.260773
where:
bonds (distance) C4'-P energy: -54.621
bonds (distance) P-C4' energy: -64.695
flat angles C4'-P-C4' energy: -68.102
flat angles P-C4'-P energy: -44.086
tors. eta vs tors. theta energy: -57.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -827.181091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.181091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.181091 (E_RNA)
where:
Base-Base interactions energy: -558.986
where: short stacking energy: -232.395
Base-Backbone interact. energy: -0.953
local terms energy: -267.241786
where:
bonds (distance) C4'-P energy: -45.705
bonds (distance) P-C4' energy: -57.050
flat angles C4'-P-C4' energy: -71.912
flat angles P-C4'-P energy: -39.549
tors. eta vs tors. theta energy: -53.026
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: 9
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -763.895186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.895186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.895186 (E_RNA)
where:
Base-Base interactions energy: -518.519
where: short stacking energy: -203.601
Base-Backbone interact. energy: -1.073
local terms energy: -244.303210
where:
bonds (distance) C4'-P energy: -55.548
bonds (distance) P-C4' energy: -60.582
flat angles C4'-P-C4' energy: -53.756
flat angles P-C4'-P energy: -30.450
tors. eta vs tors. theta energy: -43.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -488.332944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.332944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.332944 (E_RNA)
where:
Base-Base interactions energy: -277.191
where: short stacking energy: -137.642
Base-Backbone interact. energy: -0.961
local terms energy: -210.180544
where:
bonds (distance) C4'-P energy: -47.414
bonds (distance) P-C4' energy: -50.778
flat angles C4'-P-C4' energy: -56.882
flat angles P-C4'-P energy: -40.870
tors. eta vs tors. theta energy: -14.237
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: 5
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -438.511434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.511434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.511434 (E_RNA)
where:
Base-Base interactions energy: -249.114
where: short stacking energy: -131.408
Base-Backbone interact. energy: 0.452
local terms energy: -189.848627
where:
bonds (distance) C4'-P energy: -54.392
bonds (distance) P-C4' energy: -53.638
flat angles C4'-P-C4' energy: -40.076
flat angles P-C4'-P energy: -26.549
tors. eta vs tors. theta energy: -15.194
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: 1
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -1201.930489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.930489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.930489 (E_RNA)
where:
Base-Base interactions energy: -825.275
where: short stacking energy: -362.223
Base-Backbone interact. energy: -0.569
local terms energy: -376.086167
where:
bonds (distance) C4'-P energy: -69.067
bonds (distance) P-C4' energy: -66.969
flat angles C4'-P-C4' energy: -77.870
flat angles P-C4'-P energy: -49.830
tors. eta vs tors. theta energy: -112.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -1116.832301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.832301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.832301 (E_RNA)
where:
Base-Base interactions energy: -802.614
where: short stacking energy: -326.950
Base-Backbone interact. energy: -1.268
local terms energy: -312.949980
where:
bonds (distance) C4'-P energy: -70.025
bonds (distance) P-C4' energy: -58.434
flat angles C4'-P-C4' energy: -61.542
flat angles P-C4'-P energy: -41.254
tors. eta vs tors. theta energy: -81.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -1097.347995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.347995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.347995 (E_RNA)
where:
Base-Base interactions energy: -749.940
where: short stacking energy: -334.040
Base-Backbone interact. energy: -0.579
local terms energy: -346.829297
where:
bonds (distance) C4'-P energy: -59.577
bonds (distance) P-C4' energy: -64.461
flat angles C4'-P-C4' energy: -75.941
flat angles P-C4'-P energy: -47.675
tors. eta vs tors. theta energy: -99.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -1043.086039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.086039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.086039 (E_RNA)
where:
Base-Base interactions energy: -734.144
where: short stacking energy: -285.825
Base-Backbone interact. energy: -2.085
local terms energy: -306.856951
where:
bonds (distance) C4'-P energy: -61.299
bonds (distance) P-C4' energy: -65.205
flat angles C4'-P-C4' energy: -59.491
flat angles P-C4'-P energy: -40.058
tors. eta vs tors. theta energy: -80.804
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: 4
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -940.333313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.333313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.333313 (E_RNA)
where:
Base-Base interactions energy: -633.283
where: short stacking energy: -269.708
Base-Backbone interact. energy: -0.451
local terms energy: -306.599243
where:
bonds (distance) C4'-P energy: -61.089
bonds (distance) P-C4' energy: -61.602
flat angles C4'-P-C4' energy: -69.283
flat angles P-C4'-P energy: -40.384
tors. eta vs tors. theta energy: -74.242
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: 6
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -893.711407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.711407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.711407 (E_RNA)
where:
Base-Base interactions energy: -605.318
where: short stacking energy: -261.849
Base-Backbone interact. energy: 0.075
local terms energy: -288.468302
where:
bonds (distance) C4'-P energy: -62.057
bonds (distance) P-C4' energy: -58.568
flat angles C4'-P-C4' energy: -55.287
flat angles P-C4'-P energy: -39.273
tors. eta vs tors. theta energy: -73.282
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: 403
Temperature: 1.200000
Total energy: -825.176148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.176148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.176148 (E_RNA)
where:
Base-Base interactions energy: -552.815
where: short stacking energy: -233.946
Base-Backbone interact. energy: -1.170
local terms energy: -271.191342
where:
bonds (distance) C4'-P energy: -59.570
bonds (distance) P-C4' energy: -60.746
flat angles C4'-P-C4' energy: -66.862
flat angles P-C4'-P energy: -30.536
tors. eta vs tors. theta energy: -53.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -745.751421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.751421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.751421 (E_RNA)
where:
Base-Base interactions energy: -486.813
where: short stacking energy: -199.306
Base-Backbone interact. energy: -1.833
local terms energy: -257.106149
where:
bonds (distance) C4'-P energy: -51.340
bonds (distance) P-C4' energy: -66.917
flat angles C4'-P-C4' energy: -47.550
flat angles P-C4'-P energy: -51.947
tors. eta vs tors. theta energy: -39.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -445.967829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.967829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.967829 (E_RNA)
where:
Base-Base interactions energy: -229.655
where: short stacking energy: -126.719
Base-Backbone interact. energy: -0.033
local terms energy: -216.279467
where:
bonds (distance) C4'-P energy: -43.390
bonds (distance) P-C4' energy: -67.867
flat angles C4'-P-C4' energy: -52.743
flat angles P-C4'-P energy: -38.506
tors. eta vs tors. theta energy: -13.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -438.611148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.611148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.611148 (E_RNA)
where:
Base-Base interactions energy: -240.162
where: short stacking energy: -142.497
Base-Backbone interact. energy: -0.189
local terms energy: -198.260051
where:
bonds (distance) C4'-P energy: -37.189
bonds (distance) P-C4' energy: -62.128
flat angles C4'-P-C4' energy: -56.310
flat angles P-C4'-P energy: -32.761
tors. eta vs tors. theta energy: -9.872
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: 1
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -1192.055253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.055253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.055253 (E_RNA)
where:
Base-Base interactions energy: -826.775
where: short stacking energy: -355.692
Base-Backbone interact. energy: -1.086
local terms energy: -364.194593
where:
bonds (distance) C4'-P energy: -67.945
bonds (distance) P-C4' energy: -63.909
flat angles C4'-P-C4' energy: -79.365
flat angles P-C4'-P energy: -45.339
tors. eta vs tors. theta energy: -107.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -1135.520548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.520548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.520548 (E_RNA)
where:
Base-Base interactions energy: -800.802
where: short stacking energy: -329.901
Base-Backbone interact. energy: -1.455
local terms energy: -333.262982
where:
bonds (distance) C4'-P energy: -66.174
bonds (distance) P-C4' energy: -60.762
flat angles C4'-P-C4' energy: -74.636
flat angles P-C4'-P energy: -45.390
tors. eta vs tors. theta energy: -86.300
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: 3, replica: 10
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -1074.378819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.378819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.378819 (E_RNA)
where:
Base-Base interactions energy: -762.012
where: short stacking energy: -301.565
Base-Backbone interact. energy: -0.699
local terms energy: -311.667167
where:
bonds (distance) C4'-P energy: -51.554
bonds (distance) P-C4' energy: -61.640
flat angles C4'-P-C4' energy: -70.081
flat angles P-C4'-P energy: -45.715
tors. eta vs tors. theta energy: -82.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -1073.516295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.516295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.516295 (E_RNA)
where:
Base-Base interactions energy: -734.996
where: short stacking energy: -313.506
Base-Backbone interact. energy: -1.154
local terms energy: -337.366050
where:
bonds (distance) C4'-P energy: -62.431
bonds (distance) P-C4' energy: -67.565
flat angles C4'-P-C4' energy: -73.161
flat angles P-C4'-P energy: -52.570
tors. eta vs tors. theta energy: -81.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -948.541528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.541528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.541528 (E_RNA)
where:
Base-Base interactions energy: -643.735
where: short stacking energy: -281.327
Base-Backbone interact. energy: -0.050
local terms energy: -304.756208
where:
bonds (distance) C4'-P energy: -61.230
bonds (distance) P-C4' energy: -61.203
flat angles C4'-P-C4' energy: -63.586
flat angles P-C4'-P energy: -41.881
tors. eta vs tors. theta energy: -76.856
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: 6
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -896.087262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.087262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.087262 (E_RNA)
where:
Base-Base interactions energy: -585.151
where: short stacking energy: -252.587
Base-Backbone interact. energy: 3.588
local terms energy: -314.524174
where:
bonds (distance) C4'-P energy: -69.001
bonds (distance) P-C4' energy: -60.888
flat angles C4'-P-C4' energy: -69.190
flat angles P-C4'-P energy: -45.752
tors. eta vs tors. theta energy: -69.693
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: 3
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -811.420325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.420325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.420325 (E_RNA)
where:
Base-Base interactions energy: -546.104
where: short stacking energy: -229.906
Base-Backbone interact. energy: -1.325
local terms energy: -263.990571
where:
bonds (distance) C4'-P energy: -57.836
bonds (distance) P-C4' energy: -59.248
flat angles C4'-P-C4' energy: -59.770
flat angles P-C4'-P energy: -32.402
tors. eta vs tors. theta energy: -54.734
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: 9
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -754.490298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.490298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.490298 (E_RNA)
where:
Base-Base interactions energy: -502.982
where: short stacking energy: -218.668
Base-Backbone interact. energy: -0.717
local terms energy: -250.791193
where:
bonds (distance) C4'-P energy: -57.408
bonds (distance) P-C4' energy: -66.233
flat angles C4'-P-C4' energy: -58.310
flat angles P-C4'-P energy: -27.531
tors. eta vs tors. theta energy: -41.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -473.836106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.836106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.836106 (E_RNA)
where:
Base-Base interactions energy: -284.290
where: short stacking energy: -139.101
Base-Backbone interact. energy: -1.130
local terms energy: -188.415724
where:
bonds (distance) C4'-P energy: -55.958
bonds (distance) P-C4' energy: -54.096
flat angles C4'-P-C4' energy: -59.901
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -6.265
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: 404
Temperature: 1.350000
Total energy: -439.803639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.803639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.803639 (E_RNA)
where:
Base-Base interactions energy: -241.447
where: short stacking energy: -134.542
Base-Backbone interact. energy: -2.667
local terms energy: -195.690176
where:
bonds (distance) C4'-P energy: -44.605
bonds (distance) P-C4' energy: -56.508
flat angles C4'-P-C4' energy: -49.348
flat angles P-C4'-P energy: -31.333
tors. eta vs tors. theta energy: -13.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -1192.699680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.699680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.699680 (E_RNA)
where:
Base-Base interactions energy: -843.719
where: short stacking energy: -365.566
Base-Backbone interact. energy: -0.283
local terms energy: -348.697566
where:
bonds (distance) C4'-P energy: -54.681
bonds (distance) P-C4' energy: -64.502
flat angles C4'-P-C4' energy: -71.671
flat angles P-C4'-P energy: -46.108
tors. eta vs tors. theta energy: -111.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -1120.988496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.988496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.988496 (E_RNA)
where:
Base-Base interactions energy: -798.841
where: short stacking energy: -320.213
Base-Backbone interact. energy: 4.044
local terms energy: -326.191952
where:
bonds (distance) C4'-P energy: -66.736
bonds (distance) P-C4' energy: -64.859
flat angles C4'-P-C4' energy: -69.454
flat angles P-C4'-P energy: -47.456
tors. eta vs tors. theta energy: -77.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -1091.208129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.208129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.208129 (E_RNA)
where:
Base-Base interactions energy: -755.996
where: short stacking energy: -303.298
Base-Backbone interact. energy: -3.453
local terms energy: -331.759198
where:
bonds (distance) C4'-P energy: -61.564
bonds (distance) P-C4' energy: -68.477
flat angles C4'-P-C4' energy: -68.594
flat angles P-C4'-P energy: -51.751
tors. eta vs tors. theta energy: -81.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -1050.793799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.793799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.793799 (E_RNA)
where:
Base-Base interactions energy: -721.976
where: short stacking energy: -316.472
Base-Backbone interact. energy: -1.096
local terms energy: -327.721650
where:
bonds (distance) C4'-P energy: -64.420
bonds (distance) P-C4' energy: -59.980
flat angles C4'-P-C4' energy: -66.365
flat angles P-C4'-P energy: -50.788
tors. eta vs tors. theta energy: -86.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -936.473990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.473990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.473990 (E_RNA)
where:
Base-Base interactions energy: -633.023
where: short stacking energy: -275.497
Base-Backbone interact. energy: -1.587
local terms energy: -301.864904
where:
bonds (distance) C4'-P energy: -54.269
bonds (distance) P-C4' energy: -60.310
flat angles C4'-P-C4' energy: -70.772
flat angles P-C4'-P energy: -40.378
tors. eta vs tors. theta energy: -76.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -882.404330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.404330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.404330 (E_RNA)
where:
Base-Base interactions energy: -616.704
where: short stacking energy: -253.064
Base-Backbone interact. energy: -0.867
local terms energy: -264.833945
where:
bonds (distance) C4'-P energy: -42.365
bonds (distance) P-C4' energy: -52.568
flat angles C4'-P-C4' energy: -68.224
flat angles P-C4'-P energy: -42.547
tors. eta vs tors. theta energy: -59.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -852.623053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.623053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.623053 (E_RNA)
where:
Base-Base interactions energy: -564.735
where: short stacking energy: -239.736
Base-Backbone interact. energy: 0.055
local terms energy: -287.942515
where:
bonds (distance) C4'-P energy: -56.648
bonds (distance) P-C4' energy: -60.046
flat angles C4'-P-C4' energy: -65.666
flat angles P-C4'-P energy: -47.519
tors. eta vs tors. theta energy: -58.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -758.312099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.312099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.312099 (E_RNA)
where:
Base-Base interactions energy: -503.983
where: short stacking energy: -212.731
Base-Backbone interact. energy: -1.353
local terms energy: -252.975550
where:
bonds (distance) C4'-P energy: -49.457
bonds (distance) P-C4' energy: -60.272
flat angles C4'-P-C4' energy: -62.033
flat angles P-C4'-P energy: -33.459
tors. eta vs tors. theta energy: -47.756
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: 9, replica: 7
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -447.268947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.268947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.268947 (E_RNA)
where:
Base-Base interactions energy: -230.341
where: short stacking energy: -126.739
Base-Backbone interact. energy: -2.162
local terms energy: -214.766171
where:
bonds (distance) C4'-P energy: -58.809
bonds (distance) P-C4' energy: -66.688
flat angles C4'-P-C4' energy: -46.744
flat angles P-C4'-P energy: -34.284
tors. eta vs tors. theta energy: -8.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -416.590066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.590066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.590066 (E_RNA)
where:
Base-Base interactions energy: -219.277
where: short stacking energy: -110.236
Base-Backbone interact. energy: 1.897
local terms energy: -199.210172
where:
bonds (distance) C4'-P energy: -64.455
bonds (distance) P-C4' energy: -51.029
flat angles C4'-P-C4' energy: -46.642
flat angles P-C4'-P energy: -30.282
tors. eta vs tors. theta energy: -6.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -1189.501345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.501345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.501345 (E_RNA)
where:
Base-Base interactions energy: -828.733
where: short stacking energy: -367.859
Base-Backbone interact. energy: -0.829
local terms energy: -359.939354
where:
bonds (distance) C4'-P energy: -61.325
bonds (distance) P-C4' energy: -58.754
flat angles C4'-P-C4' energy: -77.166
flat angles P-C4'-P energy: -57.145
tors. eta vs tors. theta energy: -105.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -1133.123544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.123544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.123544 (E_RNA)
where:
Base-Base interactions energy: -777.354
where: short stacking energy: -316.132
Base-Backbone interact. energy: -1.343
local terms energy: -354.426577
where:
bonds (distance) C4'-P energy: -70.794
bonds (distance) P-C4' energy: -69.888
flat angles C4'-P-C4' energy: -69.635
flat angles P-C4'-P energy: -55.750
tors. eta vs tors. theta energy: -88.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -1079.119438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.119438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.119438 (E_RNA)
where:
Base-Base interactions energy: -755.971
where: short stacking energy: -326.244
Base-Backbone interact. energy: -1.180
local terms energy: -321.968977
where:
bonds (distance) C4'-P energy: -65.851
bonds (distance) P-C4' energy: -52.704
flat angles C4'-P-C4' energy: -65.433
flat angles P-C4'-P energy: -52.049
tors. eta vs tors. theta energy: -85.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -1068.421735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.421735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.421735 (E_RNA)
where:
Base-Base interactions energy: -744.149
where: short stacking energy: -316.239
Base-Backbone interact. energy: -0.658
local terms energy: -323.615041
where:
bonds (distance) C4'-P energy: -47.591
bonds (distance) P-C4' energy: -63.582
flat angles C4'-P-C4' energy: -78.032
flat angles P-C4'-P energy: -51.478
tors. eta vs tors. theta energy: -82.931
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: 4
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -895.819956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.819956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.819956 (E_RNA)
where:
Base-Base interactions energy: -602.148
where: short stacking energy: -252.053
Base-Backbone interact. energy: -0.831
local terms energy: -292.841150
where:
bonds (distance) C4'-P energy: -66.314
bonds (distance) P-C4' energy: -64.815
flat angles C4'-P-C4' energy: -61.140
flat angles P-C4'-P energy: -33.634
tors. eta vs tors. theta energy: -66.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -901.672802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.672802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.672802 (E_RNA)
where:
Base-Base interactions energy: -625.379
where: short stacking energy: -255.861
Base-Backbone interact. energy: -0.635
local terms energy: -275.658970
where:
bonds (distance) C4'-P energy: -59.901
bonds (distance) P-C4' energy: -54.676
flat angles C4'-P-C4' energy: -62.452
flat angles P-C4'-P energy: -45.344
tors. eta vs tors. theta energy: -53.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -797.173951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.173951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.173951 (E_RNA)
where:
Base-Base interactions energy: -531.183
where: short stacking energy: -223.820
Base-Backbone interact. energy: -0.578
local terms energy: -265.413338
where:
bonds (distance) C4'-P energy: -55.363
bonds (distance) P-C4' energy: -62.118
flat angles C4'-P-C4' energy: -64.816
flat angles P-C4'-P energy: -29.007
tors. eta vs tors. theta energy: -54.109
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: 3
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -807.650213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.650213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.650213 (E_RNA)
where:
Base-Base interactions energy: -527.367
where: short stacking energy: -245.469
Base-Backbone interact. energy: 1.238
local terms energy: -281.521329
where:
bonds (distance) C4'-P energy: -58.294
bonds (distance) P-C4' energy: -57.036
flat angles C4'-P-C4' energy: -62.901
flat angles P-C4'-P energy: -41.131
tors. eta vs tors. theta energy: -62.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -438.556439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.556439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.556439 (E_RNA)
where:
Base-Base interactions energy: -243.382
where: short stacking energy: -138.441
Base-Backbone interact. energy: 3.766
local terms energy: -198.940948
where:
bonds (distance) C4'-P energy: -58.377
bonds (distance) P-C4' energy: -54.858
flat angles C4'-P-C4' energy: -56.394
flat angles P-C4'-P energy: -17.857
tors. eta vs tors. theta energy: -11.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -436.001588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.001588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.001588 (E_RNA)
where:
Base-Base interactions energy: -229.836
where: short stacking energy: -111.053
Base-Backbone interact. energy: -0.368
local terms energy: -205.797891
where:
bonds (distance) C4'-P energy: -63.143
bonds (distance) P-C4' energy: -50.738
flat angles C4'-P-C4' energy: -52.007
flat angles P-C4'-P energy: -27.422
tors. eta vs tors. theta energy: -12.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -1214.541612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.541612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.541612 (E_RNA)
where:
Base-Base interactions energy: -857.582
where: short stacking energy: -375.621
Base-Backbone interact. energy: -0.520
local terms energy: -356.439571
where:
bonds (distance) C4'-P energy: -64.148
bonds (distance) P-C4' energy: -61.429
flat angles C4'-P-C4' energy: -76.370
flat angles P-C4'-P energy: -48.439
tors. eta vs tors. theta energy: -106.054
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: 10
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -1102.021791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.021791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.021791 (E_RNA)
where:
Base-Base interactions energy: -756.124
where: short stacking energy: -319.271
Base-Backbone interact. energy: -3.156
local terms energy: -342.741511
where:
bonds (distance) C4'-P energy: -65.845
bonds (distance) P-C4' energy: -64.774
flat angles C4'-P-C4' energy: -73.566
flat angles P-C4'-P energy: -50.408
tors. eta vs tors. theta energy: -88.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -1121.971723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.971723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.971723 (E_RNA)
where:
Base-Base interactions energy: -791.098
where: short stacking energy: -314.477
Base-Backbone interact. energy: 5.634
local terms energy: -336.507825
where:
bonds (distance) C4'-P energy: -60.291
bonds (distance) P-C4' energy: -71.507
flat angles C4'-P-C4' energy: -73.828
flat angles P-C4'-P energy: -51.395
tors. eta vs tors. theta energy: -79.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -1075.635304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.635304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.635304 (E_RNA)
where:
Base-Base interactions energy: -755.687
where: short stacking energy: -322.581
Base-Backbone interact. energy: 0.095
local terms energy: -320.042967
where:
bonds (distance) C4'-P energy: -60.875
bonds (distance) P-C4' energy: -51.683
flat angles C4'-P-C4' energy: -74.174
flat angles P-C4'-P energy: -39.838
tors. eta vs tors. theta energy: -93.473
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: 4
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -909.534963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.534963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.534963 (E_RNA)
where:
Base-Base interactions energy: -596.334
where: short stacking energy: -268.315
Base-Backbone interact. energy: 0.755
local terms energy: -313.955947
where:
bonds (distance) C4'-P energy: -64.814
bonds (distance) P-C4' energy: -56.389
flat angles C4'-P-C4' energy: -74.944
flat angles P-C4'-P energy: -42.126
tors. eta vs tors. theta energy: -75.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -886.754651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.754651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.754651 (E_RNA)
where:
Base-Base interactions energy: -618.133
where: short stacking energy: -253.625
Base-Backbone interact. energy: -1.839
local terms energy: -266.783070
where:
bonds (distance) C4'-P energy: -61.896
bonds (distance) P-C4' energy: -53.219
flat angles C4'-P-C4' energy: -50.068
flat angles P-C4'-P energy: -36.965
tors. eta vs tors. theta energy: -64.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -830.193045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.193045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.193045 (E_RNA)
where:
Base-Base interactions energy: -563.161
where: short stacking energy: -244.880
Base-Backbone interact. energy: 2.416
local terms energy: -269.448050
where:
bonds (distance) C4'-P energy: -57.009
bonds (distance) P-C4' energy: -57.038
flat angles C4'-P-C4' energy: -63.837
flat angles P-C4'-P energy: -33.791
tors. eta vs tors. theta energy: -57.774
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: 3
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -777.842152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.842152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.842152 (E_RNA)
where:
Base-Base interactions energy: -509.087
where: short stacking energy: -225.860
Base-Backbone interact. energy: -1.507
local terms energy: -267.247825
where:
bonds (distance) C4'-P energy: -59.823
bonds (distance) P-C4' energy: -58.594
flat angles C4'-P-C4' energy: -49.250
flat angles P-C4'-P energy: -44.103
tors. eta vs tors. theta energy: -55.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -415.598082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.598082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.598082 (E_RNA)
where:
Base-Base interactions energy: -208.928
where: short stacking energy: -125.051
Base-Backbone interact. energy: -1.843
local terms energy: -204.826977
where:
bonds (distance) C4'-P energy: -45.818
bonds (distance) P-C4' energy: -55.338
flat angles C4'-P-C4' energy: -65.252
flat angles P-C4'-P energy: -30.305
tors. eta vs tors. theta energy: -8.114
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: 5
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -402.545498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.545498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.545498 (E_RNA)
where:
Base-Base interactions energy: -195.415
where: short stacking energy: -101.216
Base-Backbone interact. energy: -1.054
local terms energy: -206.076146
where:
bonds (distance) C4'-P energy: -45.516
bonds (distance) P-C4' energy: -67.630
flat angles C4'-P-C4' energy: -59.889
flat angles P-C4'-P energy: -26.688
tors. eta vs tors. theta energy: -6.354
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: 1, replica: 1
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -1186.285711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.285711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.285711 (E_RNA)
where:
Base-Base interactions energy: -819.679
where: short stacking energy: -358.233
Base-Backbone interact. energy: -0.731
local terms energy: -365.875268
where:
bonds (distance) C4'-P energy: -69.589
bonds (distance) P-C4' energy: -68.388
flat angles C4'-P-C4' energy: -74.787
flat angles P-C4'-P energy: -51.329
tors. eta vs tors. theta energy: -101.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -1073.670433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.670433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.670433 (E_RNA)
where:
Base-Base interactions energy: -730.069
where: short stacking energy: -318.673
Base-Backbone interact. energy: -1.327
local terms energy: -342.273654
where:
bonds (distance) C4'-P energy: -60.428
bonds (distance) P-C4' energy: -65.591
flat angles C4'-P-C4' energy: -73.241
flat angles P-C4'-P energy: -50.592
tors. eta vs tors. theta energy: -92.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -1106.789649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.789649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.789649 (E_RNA)
where:
Base-Base interactions energy: -755.793
where: short stacking energy: -329.005
Base-Backbone interact. energy: -0.710
local terms energy: -350.286481
where:
bonds (distance) C4'-P energy: -63.229
bonds (distance) P-C4' energy: -68.871
flat angles C4'-P-C4' energy: -73.855
flat angles P-C4'-P energy: -48.401
tors. eta vs tors. theta energy: -95.930
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: 8
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -1057.846431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.846431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.846431 (E_RNA)
where:
Base-Base interactions energy: -765.308
where: short stacking energy: -307.567
Base-Backbone interact. energy: 0.874
local terms energy: -293.413237
where:
bonds (distance) C4'-P energy: -55.249
bonds (distance) P-C4' energy: -52.676
flat angles C4'-P-C4' energy: -65.379
flat angles P-C4'-P energy: -39.012
tors. eta vs tors. theta energy: -81.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -933.533465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.533465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.533465 (E_RNA)
where:
Base-Base interactions energy: -664.017
where: short stacking energy: -242.864
Base-Backbone interact. energy: -1.487
local terms energy: -268.029224
where:
bonds (distance) C4'-P energy: -43.307
bonds (distance) P-C4' energy: -56.420
flat angles C4'-P-C4' energy: -68.037
flat angles P-C4'-P energy: -42.264
tors. eta vs tors. theta energy: -58.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -881.845664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.845664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.845664 (E_RNA)
where:
Base-Base interactions energy: -604.924
where: short stacking energy: -244.313
Base-Backbone interact. energy: -0.461
local terms energy: -276.459964
where:
bonds (distance) C4'-P energy: -52.869
bonds (distance) P-C4' energy: -51.048
flat angles C4'-P-C4' energy: -67.874
flat angles P-C4'-P energy: -46.415
tors. eta vs tors. theta energy: -58.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -823.694322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.694322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.694322 (E_RNA)
where:
Base-Base interactions energy: -558.987
where: short stacking energy: -243.835
Base-Backbone interact. energy: -0.535
local terms energy: -264.172549
where:
bonds (distance) C4'-P energy: -50.061
bonds (distance) P-C4' energy: -52.148
flat angles C4'-P-C4' energy: -65.761
flat angles P-C4'-P energy: -33.256
tors. eta vs tors. theta energy: -62.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -784.233969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.233969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.233969 (E_RNA)
where:
Base-Base interactions energy: -510.586
where: short stacking energy: -220.626
Base-Backbone interact. energy: 0.359
local terms energy: -274.006870
where:
bonds (distance) C4'-P energy: -54.747
bonds (distance) P-C4' energy: -54.607
flat angles C4'-P-C4' energy: -62.851
flat angles P-C4'-P energy: -37.527
tors. eta vs tors. theta energy: -64.275
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: 408
Temperature: 1.300000
Total energy: -426.796363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.796363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.796363 (E_RNA)
where:
Base-Base interactions energy: -218.621
where: short stacking energy: -123.588
Base-Backbone interact. energy: -2.269
local terms energy: -205.906470
where:
bonds (distance) C4'-P energy: -62.558
bonds (distance) P-C4' energy: -51.723
flat angles C4'-P-C4' energy: -54.981
flat angles P-C4'-P energy: -31.506
tors. eta vs tors. theta energy: -5.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -422.673178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.673178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.673178 (E_RNA)
where:
Base-Base interactions energy: -229.110
where: short stacking energy: -126.776
Base-Backbone interact. energy: -1.916
local terms energy: -191.647084
where:
bonds (distance) C4'-P energy: -48.339
bonds (distance) P-C4' energy: -53.717
flat angles C4'-P-C4' energy: -34.194
flat angles P-C4'-P energy: -38.727
tors. eta vs tors. theta energy: -16.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -1190.521108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.521108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.521108 (E_RNA)
where:
Base-Base interactions energy: -837.305
where: short stacking energy: -379.215
Base-Backbone interact. energy: -0.281
local terms energy: -352.935370
where:
bonds (distance) C4'-P energy: -62.188
bonds (distance) P-C4' energy: -59.568
flat angles C4'-P-C4' energy: -80.055
flat angles P-C4'-P energy: -47.075
tors. eta vs tors. theta energy: -104.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -1131.290750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.290750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.290750 (E_RNA)
where:
Base-Base interactions energy: -774.918
where: short stacking energy: -338.342
Base-Backbone interact. energy: -0.858
local terms energy: -355.515184
where:
bonds (distance) C4'-P energy: -70.230
bonds (distance) P-C4' energy: -65.964
flat angles C4'-P-C4' energy: -71.637
flat angles P-C4'-P energy: -55.685
tors. eta vs tors. theta energy: -91.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -1068.585941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.585941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.585941 (E_RNA)
where:
Base-Base interactions energy: -748.435
where: short stacking energy: -322.858
Base-Backbone interact. energy: -2.108
local terms energy: -318.043253
where:
bonds (distance) C4'-P energy: -52.527
bonds (distance) P-C4' energy: -57.014
flat angles C4'-P-C4' energy: -68.526
flat angles P-C4'-P energy: -51.729
tors. eta vs tors. theta energy: -88.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -981.468904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.468904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.468904 (E_RNA)
where:
Base-Base interactions energy: -687.148
where: short stacking energy: -293.134
Base-Backbone interact. energy: -2.628
local terms energy: -291.692294
where:
bonds (distance) C4'-P energy: -56.402
bonds (distance) P-C4' energy: -60.181
flat angles C4'-P-C4' energy: -58.298
flat angles P-C4'-P energy: -45.254
tors. eta vs tors. theta energy: -71.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -1001.771499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.771499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.771499 (E_RNA)
where:
Base-Base interactions energy: -729.555
where: short stacking energy: -293.338
Base-Backbone interact. energy: 2.026
local terms energy: -274.242246
where:
bonds (distance) C4'-P energy: -48.639
bonds (distance) P-C4' energy: -54.901
flat angles C4'-P-C4' energy: -60.463
flat angles P-C4'-P energy: -40.290
tors. eta vs tors. theta energy: -69.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -887.876257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.876257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.876257 (E_RNA)
where:
Base-Base interactions energy: -591.442
where: short stacking energy: -263.716
Base-Backbone interact. energy: 2.083
local terms energy: -298.517294
where:
bonds (distance) C4'-P energy: -56.269
bonds (distance) P-C4' energy: -58.313
flat angles C4'-P-C4' energy: -64.496
flat angles P-C4'-P energy: -46.171
tors. eta vs tors. theta energy: -73.268
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: 9
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -811.897425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.897425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.897425 (E_RNA)
where:
Base-Base interactions energy: -541.892
where: short stacking energy: -236.441
Base-Backbone interact. energy: -1.993
local terms energy: -268.012474
where:
bonds (distance) C4'-P energy: -49.691
bonds (distance) P-C4' energy: -55.145
flat angles C4'-P-C4' energy: -63.571
flat angles P-C4'-P energy: -41.192
tors. eta vs tors. theta energy: -58.414
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: 409
Temperature: 1.250000
Total energy: -725.680087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.680087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.680087 (E_RNA)
where:
Base-Base interactions energy: -462.834
where: short stacking energy: -207.796
Base-Backbone interact. energy: -1.754
local terms energy: -261.091957
where:
bonds (distance) C4'-P energy: -56.492
bonds (distance) P-C4' energy: -66.010
flat angles C4'-P-C4' energy: -57.248
flat angles P-C4'-P energy: -41.412
tors. eta vs tors. theta energy: -39.929
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: 5
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -434.251045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.251045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.251045 (E_RNA)
where:
Base-Base interactions energy: -236.192
where: short stacking energy: -148.524
Base-Backbone interact. energy: -2.084
local terms energy: -195.975313
where:
bonds (distance) C4'-P energy: -59.312
bonds (distance) P-C4' energy: -54.943
flat angles C4'-P-C4' energy: -41.288
flat angles P-C4'-P energy: -26.259
tors. eta vs tors. theta energy: -14.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -420.603092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.603092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.603092 (E_RNA)
where:
Base-Base interactions energy: -203.327
where: short stacking energy: -113.865
Base-Backbone interact. energy: 0.012
local terms energy: -217.288657
where:
bonds (distance) C4'-P energy: -56.391
bonds (distance) P-C4' energy: -61.659
flat angles C4'-P-C4' energy: -53.175
flat angles P-C4'-P energy: -32.358
tors. eta vs tors. theta energy: -13.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -1175.620918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.620918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.620918 (E_RNA)
where:
Base-Base interactions energy: -811.982
where: short stacking energy: -349.474
Base-Backbone interact. energy: 2.294
local terms energy: -365.932567
where:
bonds (distance) C4'-P energy: -66.364
bonds (distance) P-C4' energy: -69.805
flat angles C4'-P-C4' energy: -67.650
flat angles P-C4'-P energy: -59.454
tors. eta vs tors. theta energy: -102.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -1122.573519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.573519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.573519 (E_RNA)
where:
Base-Base interactions energy: -766.627
where: short stacking energy: -341.961
Base-Backbone interact. energy: -0.711
local terms energy: -355.235594
where:
bonds (distance) C4'-P energy: -69.312
bonds (distance) P-C4' energy: -67.287
flat angles C4'-P-C4' energy: -70.939
flat angles P-C4'-P energy: -51.785
tors. eta vs tors. theta energy: -95.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -1069.280672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.280672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.280672 (E_RNA)
where:
Base-Base interactions energy: -734.928
where: short stacking energy: -318.166
Base-Backbone interact. energy: -1.674
local terms energy: -332.679004
where:
bonds (distance) C4'-P energy: -62.479
bonds (distance) P-C4' energy: -57.665
flat angles C4'-P-C4' energy: -73.572
flat angles P-C4'-P energy: -46.881
tors. eta vs tors. theta energy: -92.081
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: 6
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -974.997309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.997309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.997309 (E_RNA)
where:
Base-Base interactions energy: -680.758
where: short stacking energy: -266.802
Base-Backbone interact. energy: -3.876
local terms energy: -290.362963
where:
bonds (distance) C4'-P energy: -55.867
bonds (distance) P-C4' energy: -71.557
flat angles C4'-P-C4' energy: -55.472
flat angles P-C4'-P energy: -48.141
tors. eta vs tors. theta energy: -59.326
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: 5, replica: 8
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -978.594629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.594629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.594629 (E_RNA)
where:
Base-Base interactions energy: -686.760
where: short stacking energy: -259.613
Base-Backbone interact. energy: -0.021
local terms energy: -291.813989
where:
bonds (distance) C4'-P energy: -58.892
bonds (distance) P-C4' energy: -67.426
flat angles C4'-P-C4' energy: -65.956
flat angles P-C4'-P energy: -29.859
tors. eta vs tors. theta energy: -69.681
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: 4
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -884.268978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.268978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.268978 (E_RNA)
where:
Base-Base interactions energy: -589.246
where: short stacking energy: -262.740
Base-Backbone interact. energy: 0.089
local terms energy: -295.112610
where:
bonds (distance) C4'-P energy: -53.944
bonds (distance) P-C4' energy: -65.138
flat angles C4'-P-C4' energy: -63.500
flat angles P-C4'-P energy: -40.984
tors. eta vs tors. theta energy: -71.548
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: 9
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -819.634850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.634850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.634850 (E_RNA)
where:
Base-Base interactions energy: -561.691
where: short stacking energy: -247.216
Base-Backbone interact. energy: -0.616
local terms energy: -257.328078
where:
bonds (distance) C4'-P energy: -54.846
bonds (distance) P-C4' energy: -57.307
flat angles C4'-P-C4' energy: -49.746
flat angles P-C4'-P energy: -28.229
tors. eta vs tors. theta energy: -67.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -752.797349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.797349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.797349 (E_RNA)
where:
Base-Base interactions energy: -497.949
where: short stacking energy: -221.482
Base-Backbone interact. energy: -0.767
local terms energy: -254.081391
where:
bonds (distance) C4'-P energy: -54.829
bonds (distance) P-C4' energy: -59.437
flat angles C4'-P-C4' energy: -59.250
flat angles P-C4'-P energy: -36.230
tors. eta vs tors. theta energy: -44.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -484.554846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.554846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.554846 (E_RNA)
where:
Base-Base interactions energy: -289.621
where: short stacking energy: -134.453
Base-Backbone interact. energy: -0.822
local terms energy: -194.111813
where:
bonds (distance) C4'-P energy: -40.031
bonds (distance) P-C4' energy: -65.077
flat angles C4'-P-C4' energy: -64.027
flat angles P-C4'-P energy: -21.541
tors. eta vs tors. theta energy: -3.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -389.491516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.491516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.491516 (E_RNA)
where:
Base-Base interactions energy: -199.932
where: short stacking energy: -126.257
Base-Backbone interact. energy: -2.043
local terms energy: -187.517038
where:
bonds (distance) C4'-P energy: -49.721
bonds (distance) P-C4' energy: -55.483
flat angles C4'-P-C4' energy: -43.907
flat angles P-C4'-P energy: -33.633
tors. eta vs tors. theta energy: -4.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -1174.967072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.967072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.967072 (E_RNA)
where:
Base-Base interactions energy: -817.009
where: short stacking energy: -361.953
Base-Backbone interact. energy: -0.999
local terms energy: -356.959454
where:
bonds (distance) C4'-P energy: -66.646
bonds (distance) P-C4' energy: -71.837
flat angles C4'-P-C4' energy: -69.005
flat angles P-C4'-P energy: -52.406
tors. eta vs tors. theta energy: -97.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -1112.084826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.084826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.084826 (E_RNA)
where:
Base-Base interactions energy: -772.931
where: short stacking energy: -340.328
Base-Backbone interact. energy: -0.104
local terms energy: -339.049107
where:
bonds (distance) C4'-P energy: -70.399
bonds (distance) P-C4' energy: -61.001
flat angles C4'-P-C4' energy: -66.933
flat angles P-C4'-P energy: -46.357
tors. eta vs tors. theta energy: -94.359
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: 411
Temperature: 1.000000
Total energy: -1064.746776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.746776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.746776 (E_RNA)
where:
Base-Base interactions energy: -727.744
where: short stacking energy: -305.762
Base-Backbone interact. energy: 2.300
local terms energy: -339.303091
where:
bonds (distance) C4'-P energy: -60.195
bonds (distance) P-C4' energy: -67.846
flat angles C4'-P-C4' energy: -75.219
flat angles P-C4'-P energy: -49.597
tors. eta vs tors. theta energy: -86.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -964.653767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.653767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.653767 (E_RNA)
where:
Base-Base interactions energy: -676.541
where: short stacking energy: -268.590
Base-Backbone interact. energy: -1.584
local terms energy: -286.529209
where:
bonds (distance) C4'-P energy: -57.613
bonds (distance) P-C4' energy: -56.343
flat angles C4'-P-C4' energy: -67.787
flat angles P-C4'-P energy: -42.041
tors. eta vs tors. theta energy: -62.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -982.858344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.858344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.858344 (E_RNA)
where:
Base-Base interactions energy: -694.595
where: short stacking energy: -285.050
Base-Backbone interact. energy: -1.391
local terms energy: -286.871773
where:
bonds (distance) C4'-P energy: -55.899
bonds (distance) P-C4' energy: -52.711
flat angles C4'-P-C4' energy: -65.076
flat angles P-C4'-P energy: -44.144
tors. eta vs tors. theta energy: -69.041
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: 4
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -870.352756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.352756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.352756 (E_RNA)
where:
Base-Base interactions energy: -579.420
where: short stacking energy: -274.202
Base-Backbone interact. energy: -0.178
local terms energy: -290.754593
where:
bonds (distance) C4'-P energy: -49.170
bonds (distance) P-C4' energy: -55.255
flat angles C4'-P-C4' energy: -64.743
flat angles P-C4'-P energy: -46.516
tors. eta vs tors. theta energy: -75.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -817.218284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.218284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.218284 (E_RNA)
where:
Base-Base interactions energy: -560.356
where: short stacking energy: -215.843
Base-Backbone interact. energy: -1.382
local terms energy: -255.480414
where:
bonds (distance) C4'-P energy: -47.316
bonds (distance) P-C4' energy: -57.709
flat angles C4'-P-C4' energy: -56.089
flat angles P-C4'-P energy: -42.071
tors. eta vs tors. theta energy: -52.295
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: 8, replica: 3
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -802.169394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.169394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.169394 (E_RNA)
where:
Base-Base interactions energy: -541.764
where: short stacking energy: -238.699
Base-Backbone interact. energy: 3.292
local terms energy: -263.696495
where:
bonds (distance) C4'-P energy: -58.908
bonds (distance) P-C4' energy: -63.198
flat angles C4'-P-C4' energy: -53.202
flat angles P-C4'-P energy: -39.017
tors. eta vs tors. theta energy: -49.372
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: 5
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -492.591400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.591400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.591400 (E_RNA)
where:
Base-Base interactions energy: -288.730
where: short stacking energy: -151.756
Base-Backbone interact. energy: 0.794
local terms energy: -204.654641
where:
bonds (distance) C4'-P energy: -49.065
bonds (distance) P-C4' energy: -55.415
flat angles C4'-P-C4' energy: -46.981
flat angles P-C4'-P energy: -33.851
tors. eta vs tors. theta energy: -19.343
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: 7
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -390.224991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.224991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.224991 (E_RNA)
where:
Base-Base interactions energy: -222.962
where: short stacking energy: -128.519
Base-Backbone interact. energy: -2.106
local terms energy: -165.156672
where:
bonds (distance) C4'-P energy: -36.604
bonds (distance) P-C4' energy: -63.434
flat angles C4'-P-C4' energy: -44.254
flat angles P-C4'-P energy: -27.487
tors. eta vs tors. theta energy: 6.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -1173.853293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.853293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.853293 (E_RNA)
where:
Base-Base interactions energy: -810.085
where: short stacking energy: -370.397
Base-Backbone interact. energy: -1.048
local terms energy: -362.720603
where:
bonds (distance) C4'-P energy: -67.953
bonds (distance) P-C4' energy: -64.897
flat angles C4'-P-C4' energy: -74.867
flat angles P-C4'-P energy: -44.256
tors. eta vs tors. theta energy: -110.747
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: 412
Temperature: 0.950000
Total energy: -1112.882761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.882761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.882761 (E_RNA)
where:
Base-Base interactions energy: -771.582
where: short stacking energy: -325.943
Base-Backbone interact. energy: -1.654
local terms energy: -339.646284
where:
bonds (distance) C4'-P energy: -64.911
bonds (distance) P-C4' energy: -63.989
flat angles C4'-P-C4' energy: -73.682
flat angles P-C4'-P energy: -50.983
tors. eta vs tors. theta energy: -86.081
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: 10
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -1066.620566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.620566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.620566 (E_RNA)
where:
Base-Base interactions energy: -726.650
where: short stacking energy: -316.035
Base-Backbone interact. energy: -1.552
local terms energy: -338.418651
where:
bonds (distance) C4'-P energy: -59.426
bonds (distance) P-C4' energy: -69.296
flat angles C4'-P-C4' energy: -76.970
flat angles P-C4'-P energy: -48.577
tors. eta vs tors. theta energy: -84.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -1002.988652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.988652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.988652 (E_RNA)
where:
Base-Base interactions energy: -693.908
where: short stacking energy: -283.749
Base-Backbone interact. energy: -2.590
local terms energy: -306.491333
where:
bonds (distance) C4'-P energy: -44.718
bonds (distance) P-C4' energy: -73.294
flat angles C4'-P-C4' energy: -73.812
flat angles P-C4'-P energy: -40.120
tors. eta vs tors. theta energy: -74.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -998.105858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.105858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.105858 (E_RNA)
where:
Base-Base interactions energy: -709.165
where: short stacking energy: -291.558
Base-Backbone interact. energy: -2.816
local terms energy: -286.124630
where:
bonds (distance) C4'-P energy: -60.554
bonds (distance) P-C4' energy: -55.618
flat angles C4'-P-C4' energy: -63.893
flat angles P-C4'-P energy: -34.312
tors. eta vs tors. theta energy: -71.748
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: 4
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -898.921913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.921913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.921913 (E_RNA)
where:
Base-Base interactions energy: -590.068
where: short stacking energy: -279.787
Base-Backbone interact. energy: -0.817
local terms energy: -308.036543
where:
bonds (distance) C4'-P energy: -65.958
bonds (distance) P-C4' energy: -67.004
flat angles C4'-P-C4' energy: -54.631
flat angles P-C4'-P energy: -39.314
tors. eta vs tors. theta energy: -81.130
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: 9
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -851.653671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.653671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.653671 (E_RNA)
where:
Base-Base interactions energy: -578.939
where: short stacking energy: -246.198
Base-Backbone interact. energy: -0.541
local terms energy: -272.174021
where:
bonds (distance) C4'-P energy: -53.609
bonds (distance) P-C4' energy: -51.805
flat angles C4'-P-C4' energy: -63.218
flat angles P-C4'-P energy: -42.806
tors. eta vs tors. theta energy: -60.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -781.430533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.430533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.430533 (E_RNA)
where:
Base-Base interactions energy: -516.351
where: short stacking energy: -224.260
Base-Backbone interact. energy: -0.685
local terms energy: -264.394814
where:
bonds (distance) C4'-P energy: -58.468
bonds (distance) P-C4' energy: -53.594
flat angles C4'-P-C4' energy: -59.826
flat angles P-C4'-P energy: -42.739
tors. eta vs tors. theta energy: -49.768
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: 5
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -496.874110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.874110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.874110 (E_RNA)
where:
Base-Base interactions energy: -258.243
where: short stacking energy: -138.229
Base-Backbone interact. energy: 0.678
local terms energy: -239.309043
where:
bonds (distance) C4'-P energy: -66.095
bonds (distance) P-C4' energy: -67.976
flat angles C4'-P-C4' energy: -52.803
flat angles P-C4'-P energy: -35.135
tors. eta vs tors. theta energy: -17.299
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: 10, replica: 7
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -391.186365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.186365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.186365 (E_RNA)
where:
Base-Base interactions energy: -193.346
where: short stacking energy: -110.875
Base-Backbone interact. energy: 0.162
local terms energy: -198.002769
where:
bonds (distance) C4'-P energy: -64.800
bonds (distance) P-C4' energy: -62.970
flat angles C4'-P-C4' energy: -44.117
flat angles P-C4'-P energy: -27.635
tors. eta vs tors. theta energy: 1.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -1182.373887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.373887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.373887 (E_RNA)
where:
Base-Base interactions energy: -803.618
where: short stacking energy: -361.830
Base-Backbone interact. energy: -0.091
local terms energy: -378.665002
where:
bonds (distance) C4'-P energy: -62.061
bonds (distance) P-C4' energy: -71.463
flat angles C4'-P-C4' energy: -82.262
flat angles P-C4'-P energy: -50.805
tors. eta vs tors. theta energy: -112.074
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: 2
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -1124.239079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.239079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.239079 (E_RNA)
where:
Base-Base interactions energy: -773.905
where: short stacking energy: -352.272
Base-Backbone interact. energy: -0.455
local terms energy: -349.879002
where:
bonds (distance) C4'-P energy: -60.568
bonds (distance) P-C4' energy: -54.754
flat angles C4'-P-C4' energy: -79.575
flat angles P-C4'-P energy: -55.687
tors. eta vs tors. theta energy: -99.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -1065.465784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.465784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.465784 (E_RNA)
where:
Base-Base interactions energy: -744.548
where: short stacking energy: -312.798
Base-Backbone interact. energy: 1.668
local terms energy: -322.585376
where:
bonds (distance) C4'-P energy: -59.336
bonds (distance) P-C4' energy: -63.119
flat angles C4'-P-C4' energy: -70.316
flat angles P-C4'-P energy: -43.164
tors. eta vs tors. theta energy: -86.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -1042.882066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.882066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.882066 (E_RNA)
where:
Base-Base interactions energy: -709.674
where: short stacking energy: -306.021
Base-Backbone interact. energy: -1.012
local terms energy: -332.195415
where:
bonds (distance) C4'-P energy: -65.045
bonds (distance) P-C4' energy: -57.620
flat angles C4'-P-C4' energy: -73.974
flat angles P-C4'-P energy: -43.450
tors. eta vs tors. theta energy: -92.107
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: 8
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -1016.705243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.705243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.705243 (E_RNA)
where:
Base-Base interactions energy: -709.573
where: short stacking energy: -296.900
Base-Backbone interact. energy: -0.305
local terms energy: -306.827409
where:
bonds (distance) C4'-P energy: -64.859
bonds (distance) P-C4' energy: -55.086
flat angles C4'-P-C4' energy: -68.707
flat angles P-C4'-P energy: -46.123
tors. eta vs tors. theta energy: -72.053
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: 4
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -883.544969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.544969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.544969 (E_RNA)
where:
Base-Base interactions energy: -580.659
where: short stacking energy: -267.648
Base-Backbone interact. energy: -1.809
local terms energy: -301.077044
where:
bonds (distance) C4'-P energy: -65.552
bonds (distance) P-C4' energy: -49.332
flat angles C4'-P-C4' energy: -71.115
flat angles P-C4'-P energy: -47.902
tors. eta vs tors. theta energy: -67.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -875.227398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.227398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.227398 (E_RNA)
where:
Base-Base interactions energy: -602.947
where: short stacking energy: -260.690
Base-Backbone interact. energy: -1.023
local terms energy: -271.257087
where:
bonds (distance) C4'-P energy: -48.296
bonds (distance) P-C4' energy: -59.966
flat angles C4'-P-C4' energy: -61.299
flat angles P-C4'-P energy: -32.496
tors. eta vs tors. theta energy: -69.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -730.857356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.857356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.857356 (E_RNA)
where:
Base-Base interactions energy: -488.895
where: short stacking energy: -208.886
Base-Backbone interact. energy: 5.009
local terms energy: -246.970498
where:
bonds (distance) C4'-P energy: -53.150
bonds (distance) P-C4' energy: -51.393
flat angles C4'-P-C4' energy: -64.508
flat angles P-C4'-P energy: -37.884
tors. eta vs tors. theta energy: -40.035
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: 413
Temperature: 1.300000
Total energy: -452.216260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.216260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.216260 (E_RNA)
where:
Base-Base interactions energy: -259.365
where: short stacking energy: -132.628
Base-Backbone interact. energy: -1.640
local terms energy: -191.211529
where:
bonds (distance) C4'-P energy: -57.218
bonds (distance) P-C4' energy: -54.963
flat angles C4'-P-C4' energy: -46.967
flat angles P-C4'-P energy: -26.643
tors. eta vs tors. theta energy: -5.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -395.796429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.796429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.796429 (E_RNA)
where:
Base-Base interactions energy: -210.468
where: short stacking energy: -143.645
Base-Backbone interact. energy: -0.043
local terms energy: -185.285879
where:
bonds (distance) C4'-P energy: -43.265
bonds (distance) P-C4' energy: -56.164
flat angles C4'-P-C4' energy: -36.275
flat angles P-C4'-P energy: -24.951
tors. eta vs tors. theta energy: -24.630
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: 1
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -1191.817997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.817997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.817997 (E_RNA)
where:
Base-Base interactions energy: -798.614
where: short stacking energy: -357.810
Base-Backbone interact. energy: -1.657
local terms energy: -391.546858
where:
bonds (distance) C4'-P energy: -72.537
bonds (distance) P-C4' energy: -64.266
flat angles C4'-P-C4' energy: -82.076
flat angles P-C4'-P energy: -59.541
tors. eta vs tors. theta energy: -113.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -1118.753356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.753356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.753356 (E_RNA)
where:
Base-Base interactions energy: -773.203
where: short stacking energy: -337.461
Base-Backbone interact. energy: -0.917
local terms energy: -344.633166
where:
bonds (distance) C4'-P energy: -64.129
bonds (distance) P-C4' energy: -61.166
flat angles C4'-P-C4' energy: -73.728
flat angles P-C4'-P energy: -49.711
tors. eta vs tors. theta energy: -95.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -1079.690197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.690197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.690197 (E_RNA)
where:
Base-Base interactions energy: -745.988
where: short stacking energy: -320.468
Base-Backbone interact. energy: -2.174
local terms energy: -331.527388
where:
bonds (distance) C4'-P energy: -66.799
bonds (distance) P-C4' energy: -59.648
flat angles C4'-P-C4' energy: -75.360
flat angles P-C4'-P energy: -47.389
tors. eta vs tors. theta energy: -82.332
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: 6
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -997.637187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.637187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.637187 (E_RNA)
where:
Base-Base interactions energy: -687.253
where: short stacking energy: -292.246
Base-Backbone interact. energy: -1.110
local terms energy: -309.273945
where:
bonds (distance) C4'-P energy: -62.758
bonds (distance) P-C4' energy: -65.824
flat angles C4'-P-C4' energy: -62.512
flat angles P-C4'-P energy: -44.465
tors. eta vs tors. theta energy: -73.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -1001.055063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.055063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.055063 (E_RNA)
where:
Base-Base interactions energy: -700.523
where: short stacking energy: -283.969
Base-Backbone interact. energy: 2.233
local terms energy: -302.764942
where:
bonds (distance) C4'-P energy: -53.970
bonds (distance) P-C4' energy: -66.070
flat angles C4'-P-C4' energy: -68.175
flat angles P-C4'-P energy: -41.149
tors. eta vs tors. theta energy: -73.401
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: 4
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -875.896838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.896838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.896838 (E_RNA)
where:
Base-Base interactions energy: -590.398
where: short stacking energy: -275.282
Base-Backbone interact. energy: 0.554
local terms energy: -286.053169
where:
bonds (distance) C4'-P energy: -52.581
bonds (distance) P-C4' energy: -61.601
flat angles C4'-P-C4' energy: -65.316
flat angles P-C4'-P energy: -37.628
tors. eta vs tors. theta energy: -68.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -810.749371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.749371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.749371 (E_RNA)
where:
Base-Base interactions energy: -543.619
where: short stacking energy: -231.767
Base-Backbone interact. energy: -0.846
local terms energy: -266.285108
where:
bonds (distance) C4'-P energy: -52.058
bonds (distance) P-C4' energy: -53.976
flat angles C4'-P-C4' energy: -57.822
flat angles P-C4'-P energy: -49.055
tors. eta vs tors. theta energy: -53.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -779.121807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.121807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.121807 (E_RNA)
where:
Base-Base interactions energy: -499.244
where: short stacking energy: -220.640
Base-Backbone interact. energy: -0.778
local terms energy: -279.099420
where:
bonds (distance) C4'-P energy: -58.535
bonds (distance) P-C4' energy: -56.089
flat angles C4'-P-C4' energy: -50.805
flat angles P-C4'-P energy: -49.727
tors. eta vs tors. theta energy: -63.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -505.190153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.190153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.190153 (E_RNA)
where:
Base-Base interactions energy: -292.315
where: short stacking energy: -142.212
Base-Backbone interact. energy: 0.203
local terms energy: -213.078181
where:
bonds (distance) C4'-P energy: -53.848
bonds (distance) P-C4' energy: -54.554
flat angles C4'-P-C4' energy: -53.929
flat angles P-C4'-P energy: -27.024
tors. eta vs tors. theta energy: -23.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -441.480354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.480354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.480354 (E_RNA)
where:
Base-Base interactions energy: -217.672
where: short stacking energy: -111.333
Base-Backbone interact. energy: -0.598
local terms energy: -223.210400
where:
bonds (distance) C4'-P energy: -56.008
bonds (distance) P-C4' energy: -64.810
flat angles C4'-P-C4' energy: -56.622
flat angles P-C4'-P energy: -28.074
tors. eta vs tors. theta energy: -17.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -1190.758434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.758434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.758434 (E_RNA)
where:
Base-Base interactions energy: -825.475
where: short stacking energy: -362.780
Base-Backbone interact. energy: -0.316
local terms energy: -364.967186
where:
bonds (distance) C4'-P energy: -61.465
bonds (distance) P-C4' energy: -63.896
flat angles C4'-P-C4' energy: -73.999
flat angles P-C4'-P energy: -53.876
tors. eta vs tors. theta energy: -111.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -1117.377191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.377191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.377191 (E_RNA)
where:
Base-Base interactions energy: -780.279
where: short stacking energy: -334.370
Base-Backbone interact. energy: -1.768
local terms energy: -335.329335
where:
bonds (distance) C4'-P energy: -54.853
bonds (distance) P-C4' energy: -68.787
flat angles C4'-P-C4' energy: -68.016
flat angles P-C4'-P energy: -48.071
tors. eta vs tors. theta energy: -95.603
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: 3, replica: 10
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -1071.868592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.868592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.868592 (E_RNA)
where:
Base-Base interactions energy: -731.602
where: short stacking energy: -325.174
Base-Backbone interact. energy: -1.530
local terms energy: -338.736228
where:
bonds (distance) C4'-P energy: -61.265
bonds (distance) P-C4' energy: -68.177
flat angles C4'-P-C4' energy: -79.526
flat angles P-C4'-P energy: -42.298
tors. eta vs tors. theta energy: -87.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -1011.023393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.023393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.023393 (E_RNA)
where:
Base-Base interactions energy: -719.614
where: short stacking energy: -290.537
Base-Backbone interact. energy: 2.096
local terms energy: -293.505726
where:
bonds (distance) C4'-P energy: -55.182
bonds (distance) P-C4' energy: -61.255
flat angles C4'-P-C4' energy: -60.824
flat angles P-C4'-P energy: -46.990
tors. eta vs tors. theta energy: -69.254
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: 6
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -970.698232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.698232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.698232 (E_RNA)
where:
Base-Base interactions energy: -675.252
where: short stacking energy: -255.820
Base-Backbone interact. energy: -0.805
local terms energy: -294.641021
where:
bonds (distance) C4'-P energy: -64.819
bonds (distance) P-C4' energy: -55.293
flat angles C4'-P-C4' energy: -64.809
flat angles P-C4'-P energy: -46.347
tors. eta vs tors. theta energy: -63.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -913.690713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.690713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.690713 (E_RNA)
where:
Base-Base interactions energy: -609.200
where: short stacking energy: -284.360
Base-Backbone interact. energy: -0.582
local terms energy: -303.908676
where:
bonds (distance) C4'-P energy: -54.390
bonds (distance) P-C4' energy: -66.629
flat angles C4'-P-C4' energy: -62.515
flat angles P-C4'-P energy: -40.079
tors. eta vs tors. theta energy: -80.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -838.510049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.510049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.510049 (E_RNA)
where:
Base-Base interactions energy: -558.477
where: short stacking energy: -244.374
Base-Backbone interact. energy: 0.366
local terms energy: -280.399127
where:
bonds (distance) C4'-P energy: -61.574
bonds (distance) P-C4' energy: -51.513
flat angles C4'-P-C4' energy: -72.154
flat angles P-C4'-P energy: -41.246
tors. eta vs tors. theta energy: -53.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -779.368733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.368733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.368733 (E_RNA)
where:
Base-Base interactions energy: -533.698
where: short stacking energy: -233.482
Base-Backbone interact. energy: 1.338
local terms energy: -247.008978
where:
bonds (distance) C4'-P energy: -56.749
bonds (distance) P-C4' energy: -45.257
flat angles C4'-P-C4' energy: -49.062
flat angles P-C4'-P energy: -36.583
tors. eta vs tors. theta energy: -59.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -554.810465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.810465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.810465 (E_RNA)
where:
Base-Base interactions energy: -315.538
where: short stacking energy: -166.684
Base-Backbone interact. energy: -1.242
local terms energy: -238.030583
where:
bonds (distance) C4'-P energy: -52.461
bonds (distance) P-C4' energy: -63.686
flat angles C4'-P-C4' energy: -59.098
flat angles P-C4'-P energy: -31.527
tors. eta vs tors. theta energy: -31.258
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: 7
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -437.804185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.804185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.804185 (E_RNA)
where:
Base-Base interactions energy: -237.208
where: short stacking energy: -114.322
Base-Backbone interact. energy: 0.062
local terms energy: -200.657967
where:
bonds (distance) C4'-P energy: -47.286
bonds (distance) P-C4' energy: -57.766
flat angles C4'-P-C4' energy: -52.173
flat angles P-C4'-P energy: -29.150
tors. eta vs tors. theta energy: -14.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -1202.013863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.013863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.013863 (E_RNA)
where:
Base-Base interactions energy: -839.560
where: short stacking energy: -377.417
Base-Backbone interact. energy: -0.359
local terms energy: -362.094075
where:
bonds (distance) C4'-P energy: -67.696
bonds (distance) P-C4' energy: -53.768
flat angles C4'-P-C4' energy: -76.438
flat angles P-C4'-P energy: -45.640
tors. eta vs tors. theta energy: -118.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -1126.872352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.872352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.872352 (E_RNA)
where:
Base-Base interactions energy: -781.128
where: short stacking energy: -334.296
Base-Backbone interact. energy: -1.595
local terms energy: -344.149442
where:
bonds (distance) C4'-P energy: -59.958
bonds (distance) P-C4' energy: -66.643
flat angles C4'-P-C4' energy: -71.462
flat angles P-C4'-P energy: -50.219
tors. eta vs tors. theta energy: -95.867
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: 416
Temperature: 1.000000
Total energy: -1062.887138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.887138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.887138 (E_RNA)
where:
Base-Base interactions energy: -724.449
where: short stacking energy: -300.570
Base-Backbone interact. energy: -1.532
local terms energy: -336.905939
where:
bonds (distance) C4'-P energy: -55.578
bonds (distance) P-C4' energy: -70.143
flat angles C4'-P-C4' energy: -69.553
flat angles P-C4'-P energy: -52.447
tors. eta vs tors. theta energy: -89.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -1028.521972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.521972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.521972 (E_RNA)
where:
Base-Base interactions energy: -726.885
where: short stacking energy: -290.957
Base-Backbone interact. energy: -0.401
local terms energy: -301.235938
where:
bonds (distance) C4'-P energy: -55.494
bonds (distance) P-C4' energy: -59.605
flat angles C4'-P-C4' energy: -69.538
flat angles P-C4'-P energy: -44.910
tors. eta vs tors. theta energy: -71.689
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: 6
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -971.522182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.522182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.522182 (E_RNA)
where:
Base-Base interactions energy: -670.050
where: short stacking energy: -276.420
Base-Backbone interact. energy: -2.126
local terms energy: -299.345699
where:
bonds (distance) C4'-P energy: -61.123
bonds (distance) P-C4' energy: -63.686
flat angles C4'-P-C4' energy: -65.155
flat angles P-C4'-P energy: -37.999
tors. eta vs tors. theta energy: -71.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -902.419035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.419035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.419035 (E_RNA)
where:
Base-Base interactions energy: -612.234
where: short stacking energy: -293.104
Base-Backbone interact. energy: -0.477
local terms energy: -289.708038
where:
bonds (distance) C4'-P energy: -51.448
bonds (distance) P-C4' energy: -65.588
flat angles C4'-P-C4' energy: -71.044
flat angles P-C4'-P energy: -31.183
tors. eta vs tors. theta energy: -70.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -831.264991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.264991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.264991 (E_RNA)
where:
Base-Base interactions energy: -566.671
where: short stacking energy: -245.323
Base-Backbone interact. energy: -1.028
local terms energy: -263.566460
where:
bonds (distance) C4'-P energy: -41.456
bonds (distance) P-C4' energy: -59.240
flat angles C4'-P-C4' energy: -61.609
flat angles P-C4'-P energy: -41.418
tors. eta vs tors. theta energy: -59.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -766.775422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.775422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.775422 (E_RNA)
where:
Base-Base interactions energy: -507.448
where: short stacking energy: -229.634
Base-Backbone interact. energy: -1.278
local terms energy: -258.048968
where:
bonds (distance) C4'-P energy: -49.156
bonds (distance) P-C4' energy: -56.694
flat angles C4'-P-C4' energy: -52.127
flat angles P-C4'-P energy: -34.789
tors. eta vs tors. theta energy: -65.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -487.650531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.650531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.650531 (E_RNA)
where:
Base-Base interactions energy: -264.430
where: short stacking energy: -129.896
Base-Backbone interact. energy: 0.365
local terms energy: -223.585450
where:
bonds (distance) C4'-P energy: -57.317
bonds (distance) P-C4' energy: -61.599
flat angles C4'-P-C4' energy: -54.443
flat angles P-C4'-P energy: -36.641
tors. eta vs tors. theta energy: -13.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -426.193026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.193026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.193026 (E_RNA)
where:
Base-Base interactions energy: -228.795
where: short stacking energy: -131.551
Base-Backbone interact. energy: -1.612
local terms energy: -195.785226
where:
bonds (distance) C4'-P energy: -53.479
bonds (distance) P-C4' energy: -65.215
flat angles C4'-P-C4' energy: -50.599
flat angles P-C4'-P energy: -21.839
tors. eta vs tors. theta energy: -4.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -1206.026286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.026286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.026286 (E_RNA)
where:
Base-Base interactions energy: -811.557
where: short stacking energy: -368.203
Base-Backbone interact. energy: -0.672
local terms energy: -393.797070
where:
bonds (distance) C4'-P energy: -64.983
bonds (distance) P-C4' energy: -73.575
flat angles C4'-P-C4' energy: -76.539
flat angles P-C4'-P energy: -62.390
tors. eta vs tors. theta energy: -116.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -1126.835471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.835471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.835471 (E_RNA)
where:
Base-Base interactions energy: -761.303
where: short stacking energy: -335.688
Base-Backbone interact. energy: -1.393
local terms energy: -364.139613
where:
bonds (distance) C4'-P energy: -69.526
bonds (distance) P-C4' energy: -66.033
flat angles C4'-P-C4' energy: -81.801
flat angles P-C4'-P energy: -48.992
tors. eta vs tors. theta energy: -97.789
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: 417
Temperature: 1.000000
Total energy: -1064.386480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.386480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.386480 (E_RNA)
where:
Base-Base interactions energy: -740.031
where: short stacking energy: -312.239
Base-Backbone interact. energy: -1.239
local terms energy: -323.115699
where:
bonds (distance) C4'-P energy: -53.396
bonds (distance) P-C4' energy: -66.688
flat angles C4'-P-C4' energy: -64.360
flat angles P-C4'-P energy: -52.252
tors. eta vs tors. theta energy: -86.419
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: 8
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -1054.202176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.202176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.202176 (E_RNA)
where:
Base-Base interactions energy: -737.637
where: short stacking energy: -299.642
Base-Backbone interact. energy: -0.649
local terms energy: -315.916053
where:
bonds (distance) C4'-P energy: -75.352
bonds (distance) P-C4' energy: -60.693
flat angles C4'-P-C4' energy: -59.806
flat angles P-C4'-P energy: -35.671
tors. eta vs tors. theta energy: -84.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -994.879306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.879306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.879306 (E_RNA)
where:
Base-Base interactions energy: -689.660
where: short stacking energy: -284.516
Base-Backbone interact. energy: -2.470
local terms energy: -302.749729
where:
bonds (distance) C4'-P energy: -61.858
bonds (distance) P-C4' energy: -58.392
flat angles C4'-P-C4' energy: -69.476
flat angles P-C4'-P energy: -32.945
tors. eta vs tors. theta energy: -80.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -906.655443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.655443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.655443 (E_RNA)
where:
Base-Base interactions energy: -596.759
where: short stacking energy: -269.667
Base-Backbone interact. energy: -0.549
local terms energy: -309.347710
where:
bonds (distance) C4'-P energy: -56.390
bonds (distance) P-C4' energy: -56.096
flat angles C4'-P-C4' energy: -67.514
flat angles P-C4'-P energy: -49.695
tors. eta vs tors. theta energy: -79.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -826.454730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.454730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.454730 (E_RNA)
where:
Base-Base interactions energy: -550.660
where: short stacking energy: -236.681
Base-Backbone interact. energy: -0.683
local terms energy: -275.112456
where:
bonds (distance) C4'-P energy: -54.829
bonds (distance) P-C4' energy: -57.624
flat angles C4'-P-C4' energy: -59.533
flat angles P-C4'-P energy: -46.675
tors. eta vs tors. theta energy: -56.452
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: 3
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -750.695455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.695455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.695455 (E_RNA)
where:
Base-Base interactions energy: -506.901
where: short stacking energy: -223.331
Base-Backbone interact. energy: 0.056
local terms energy: -243.850738
where:
bonds (distance) C4'-P energy: -50.443
bonds (distance) P-C4' energy: -52.543
flat angles C4'-P-C4' energy: -53.507
flat angles P-C4'-P energy: -33.767
tors. eta vs tors. theta energy: -53.590
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: 5
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -549.237783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.237783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.237783 (E_RNA)
where:
Base-Base interactions energy: -319.492
where: short stacking energy: -156.284
Base-Backbone interact. energy: -0.923
local terms energy: -228.823204
where:
bonds (distance) C4'-P energy: -47.092
bonds (distance) P-C4' energy: -56.920
flat angles C4'-P-C4' energy: -58.698
flat angles P-C4'-P energy: -37.091
tors. eta vs tors. theta energy: -29.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -442.643199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.643199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.643199 (E_RNA)
where:
Base-Base interactions energy: -238.415
where: short stacking energy: -124.595
Base-Backbone interact. energy: -0.904
local terms energy: -203.324684
where:
bonds (distance) C4'-P energy: -50.697
bonds (distance) P-C4' energy: -66.091
flat angles C4'-P-C4' energy: -40.248
flat angles P-C4'-P energy: -35.409
tors. eta vs tors. theta energy: -10.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -1204.355401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.355401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.355401 (E_RNA)
where:
Base-Base interactions energy: -805.612
where: short stacking energy: -361.269
Base-Backbone interact. energy: -0.250
local terms energy: -398.493609
where:
bonds (distance) C4'-P energy: -73.457
bonds (distance) P-C4' energy: -71.739
flat angles C4'-P-C4' energy: -76.739
flat angles P-C4'-P energy: -58.164
tors. eta vs tors. theta energy: -118.395
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: 2, replica: 2
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -1128.670424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.670424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.670424 (E_RNA)
where:
Base-Base interactions energy: -787.943
where: short stacking energy: -351.551
Base-Backbone interact. energy: -0.497
local terms energy: -340.230158
where:
bonds (distance) C4'-P energy: -53.229
bonds (distance) P-C4' energy: -65.734
flat angles C4'-P-C4' energy: -77.740
flat angles P-C4'-P energy: -47.523
tors. eta vs tors. theta energy: -96.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -1096.150402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.150402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.150402 (E_RNA)
where:
Base-Base interactions energy: -746.907
where: short stacking energy: -315.244
Base-Backbone interact. energy: -0.117
local terms energy: -349.126563
where:
bonds (distance) C4'-P energy: -68.725
bonds (distance) P-C4' energy: -70.521
flat angles C4'-P-C4' energy: -71.629
flat angles P-C4'-P energy: -45.303
tors. eta vs tors. theta energy: -92.949
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: 4, replica: 8
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -1038.080019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.080019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.080019 (E_RNA)
where:
Base-Base interactions energy: -742.434
where: short stacking energy: -280.187
Base-Backbone interact. energy: 0.750
local terms energy: -296.395424
where:
bonds (distance) C4'-P energy: -51.822
bonds (distance) P-C4' energy: -59.068
flat angles C4'-P-C4' energy: -64.736
flat angles P-C4'-P energy: -50.574
tors. eta vs tors. theta energy: -70.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -998.232191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.232191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.232191 (E_RNA)
where:
Base-Base interactions energy: -693.361
where: short stacking energy: -292.185
Base-Backbone interact. energy: 0.059
local terms energy: -304.929833
where:
bonds (distance) C4'-P energy: -49.146
bonds (distance) P-C4' energy: -68.802
flat angles C4'-P-C4' energy: -69.131
flat angles P-C4'-P energy: -39.348
tors. eta vs tors. theta energy: -78.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -877.157482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.157482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.157482 (E_RNA)
where:
Base-Base interactions energy: -587.325
where: short stacking energy: -261.766
Base-Backbone interact. energy: -0.700
local terms energy: -289.132392
where:
bonds (distance) C4'-P energy: -63.503
bonds (distance) P-C4' energy: -51.190
flat angles C4'-P-C4' energy: -67.086
flat angles P-C4'-P energy: -37.773
tors. eta vs tors. theta energy: -69.581
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: 7, replica: 9
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -807.428528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.428528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.428528 (E_RNA)
where:
Base-Base interactions energy: -543.831
where: short stacking energy: -224.873
Base-Backbone interact. energy: -1.813
local terms energy: -261.784505
where:
bonds (distance) C4'-P energy: -50.572
bonds (distance) P-C4' energy: -53.723
flat angles C4'-P-C4' energy: -66.681
flat angles P-C4'-P energy: -36.921
tors. eta vs tors. theta energy: -53.887
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: 3
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -798.252303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.252303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.252303 (E_RNA)
where:
Base-Base interactions energy: -520.882
where: short stacking energy: -238.615
Base-Backbone interact. energy: 1.975
local terms energy: -279.344486
where:
bonds (distance) C4'-P energy: -53.230
bonds (distance) P-C4' energy: -54.256
flat angles C4'-P-C4' energy: -66.442
flat angles P-C4'-P energy: -45.716
tors. eta vs tors. theta energy: -59.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -454.668335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.668335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.668335 (E_RNA)
where:
Base-Base interactions energy: -251.589
where: short stacking energy: -137.438
Base-Backbone interact. energy: 1.979
local terms energy: -205.057998
where:
bonds (distance) C4'-P energy: -55.935
bonds (distance) P-C4' energy: -55.398
flat angles C4'-P-C4' energy: -42.939
flat angles P-C4'-P energy: -31.184
tors. eta vs tors. theta energy: -19.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -551.002561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.002561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.002561 (E_RNA)
where:
Base-Base interactions energy: -354.788
where: short stacking energy: -158.086
Base-Backbone interact. energy: -0.454
local terms energy: -195.760461
where:
bonds (distance) C4'-P energy: -53.162
bonds (distance) P-C4' energy: -47.874
flat angles C4'-P-C4' energy: -48.621
flat angles P-C4'-P energy: -22.371
tors. eta vs tors. theta energy: -23.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -1198.540885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.540885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.540885 (E_RNA)
where:
Base-Base interactions energy: -822.918
where: short stacking energy: -365.911
Base-Backbone interact. energy: 0.049
local terms energy: -375.671830
where:
bonds (distance) C4'-P energy: -70.467
bonds (distance) P-C4' energy: -74.839
flat angles C4'-P-C4' energy: -76.018
flat angles P-C4'-P energy: -42.308
tors. eta vs tors. theta energy: -112.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -1091.013341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.013341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.013341 (E_RNA)
where:
Base-Base interactions energy: -740.657
where: short stacking energy: -329.935
Base-Backbone interact. energy: -1.076
local terms energy: -349.280699
where:
bonds (distance) C4'-P energy: -62.004
bonds (distance) P-C4' energy: -64.655
flat angles C4'-P-C4' energy: -69.368
flat angles P-C4'-P energy: -61.303
tors. eta vs tors. theta energy: -91.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -1066.267790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.267790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.267790 (E_RNA)
where:
Base-Base interactions energy: -740.586
where: short stacking energy: -314.777
Base-Backbone interact. energy: -0.444
local terms energy: -325.238138
where:
bonds (distance) C4'-P energy: -68.880
bonds (distance) P-C4' energy: -59.360
flat angles C4'-P-C4' energy: -64.319
flat angles P-C4'-P energy: -47.175
tors. eta vs tors. theta energy: -85.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -1047.820140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.820140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.820140 (E_RNA)
where:
Base-Base interactions energy: -742.327
where: short stacking energy: -269.168
Base-Backbone interact. energy: 0.728
local terms energy: -306.220661
where:
bonds (distance) C4'-P energy: -65.284
bonds (distance) P-C4' energy: -56.660
flat angles C4'-P-C4' energy: -59.028
flat angles P-C4'-P energy: -49.016
tors. eta vs tors. theta energy: -76.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -1006.299333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.299333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.299333 (E_RNA)
where:
Base-Base interactions energy: -691.786
where: short stacking energy: -283.026
Base-Backbone interact. energy: -1.363
local terms energy: -313.149684
where:
bonds (distance) C4'-P energy: -56.794
bonds (distance) P-C4' energy: -55.965
flat angles C4'-P-C4' energy: -67.148
flat angles P-C4'-P energy: -47.455
tors. eta vs tors. theta energy: -85.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -866.921175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.921175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.921175 (E_RNA)
where:
Base-Base interactions energy: -586.231
where: short stacking energy: -244.545
Base-Backbone interact. energy: -1.042
local terms energy: -279.647405
where:
bonds (distance) C4'-P energy: -41.665
bonds (distance) P-C4' energy: -61.240
flat angles C4'-P-C4' energy: -65.268
flat angles P-C4'-P energy: -45.506
tors. eta vs tors. theta energy: -65.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -844.001145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.001145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.001145 (E_RNA)
where:
Base-Base interactions energy: -576.997
where: short stacking energy: -255.402
Base-Backbone interact. energy: 3.516
local terms energy: -270.519829
where:
bonds (distance) C4'-P energy: -54.290
bonds (distance) P-C4' energy: -49.943
flat angles C4'-P-C4' energy: -60.833
flat angles P-C4'-P energy: -33.297
tors. eta vs tors. theta energy: -72.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -808.746354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.746354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.746354 (E_RNA)
where:
Base-Base interactions energy: -556.890
where: short stacking energy: -237.412
Base-Backbone interact. energy: -0.181
local terms energy: -251.675185
where:
bonds (distance) C4'-P energy: -53.964
bonds (distance) P-C4' energy: -40.483
flat angles C4'-P-C4' energy: -68.718
flat angles P-C4'-P energy: -29.220
tors. eta vs tors. theta energy: -59.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -425.874061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.874061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.874061 (E_RNA)
where:
Base-Base interactions energy: -242.330
where: short stacking energy: -128.466
Base-Backbone interact. energy: -0.540
local terms energy: -183.003600
where:
bonds (distance) C4'-P energy: -50.469
bonds (distance) P-C4' energy: -43.556
flat angles C4'-P-C4' energy: -49.180
flat angles P-C4'-P energy: -19.613
tors. eta vs tors. theta energy: -20.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -522.307255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.307255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.307255 (E_RNA)
where:
Base-Base interactions energy: -325.468
where: short stacking energy: -155.497
Base-Backbone interact. energy: -0.925
local terms energy: -195.914544
where:
bonds (distance) C4'-P energy: -39.888
bonds (distance) P-C4' energy: -46.145
flat angles C4'-P-C4' energy: -50.460
flat angles P-C4'-P energy: -33.505
tors. eta vs tors. theta energy: -25.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -1200.127924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.127924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.127924 (E_RNA)
where:
Base-Base interactions energy: -821.713
where: short stacking energy: -366.892
Base-Backbone interact. energy: -0.438
local terms energy: -377.977180
where:
bonds (distance) C4'-P energy: -59.699
bonds (distance) P-C4' energy: -71.372
flat angles C4'-P-C4' energy: -73.910
flat angles P-C4'-P energy: -55.672
tors. eta vs tors. theta energy: -117.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -1106.886361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.886361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.886361 (E_RNA)
where:
Base-Base interactions energy: -763.739
where: short stacking energy: -326.956
Base-Backbone interact. energy: -2.507
local terms energy: -340.640689
where:
bonds (distance) C4'-P energy: -64.128
bonds (distance) P-C4' energy: -63.683
flat angles C4'-P-C4' energy: -70.900
flat angles P-C4'-P energy: -54.223
tors. eta vs tors. theta energy: -87.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -1105.462160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.462160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.462160 (E_RNA)
where:
Base-Base interactions energy: -758.563
where: short stacking energy: -314.788
Base-Backbone interact. energy: -2.481
local terms energy: -344.417919
where:
bonds (distance) C4'-P energy: -68.007
bonds (distance) P-C4' energy: -62.196
flat angles C4'-P-C4' energy: -77.209
flat angles P-C4'-P energy: -43.785
tors. eta vs tors. theta energy: -93.222
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: 4, replica: 8
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -1023.785245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.785245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.785245 (E_RNA)
where:
Base-Base interactions energy: -739.121
where: short stacking energy: -281.523
Base-Backbone interact. energy: 5.721
local terms energy: -290.385384
where:
bonds (distance) C4'-P energy: -55.114
bonds (distance) P-C4' energy: -47.084
flat angles C4'-P-C4' energy: -67.664
flat angles P-C4'-P energy: -50.499
tors. eta vs tors. theta energy: -70.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -1007.394716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.394716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.394716 (E_RNA)
where:
Base-Base interactions energy: -669.397
where: short stacking energy: -291.986
Base-Backbone interact. energy: -0.134
local terms energy: -337.863473
where:
bonds (distance) C4'-P energy: -61.130
bonds (distance) P-C4' energy: -66.010
flat angles C4'-P-C4' energy: -72.811
flat angles P-C4'-P energy: -50.850
tors. eta vs tors. theta energy: -87.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -890.988081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.988081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.988081 (E_RNA)
where:
Base-Base interactions energy: -617.417
where: short stacking energy: -268.794
Base-Backbone interact. energy: -0.645
local terms energy: -272.925521
where:
bonds (distance) C4'-P energy: -43.887
bonds (distance) P-C4' energy: -54.143
flat angles C4'-P-C4' energy: -55.875
flat angles P-C4'-P energy: -48.401
tors. eta vs tors. theta energy: -70.620
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: 4
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -895.190278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.190278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.190278 (E_RNA)
where:
Base-Base interactions energy: -590.347
where: short stacking energy: -280.623
Base-Backbone interact. energy: -1.270
local terms energy: -303.572811
where:
bonds (distance) C4'-P energy: -53.862
bonds (distance) P-C4' energy: -52.075
flat angles C4'-P-C4' energy: -74.474
flat angles P-C4'-P energy: -42.471
tors. eta vs tors. theta energy: -80.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -816.180169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.180169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.180169 (E_RNA)
where:
Base-Base interactions energy: -543.267
where: short stacking energy: -235.706
Base-Backbone interact. energy: 0.293
local terms energy: -273.205664
where:
bonds (distance) C4'-P energy: -53.134
bonds (distance) P-C4' energy: -56.264
flat angles C4'-P-C4' energy: -60.246
flat angles P-C4'-P energy: -43.229
tors. eta vs tors. theta energy: -60.333
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: 5
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -541.074422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.074422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.074422 (E_RNA)
where:
Base-Base interactions energy: -334.635
where: short stacking energy: -147.925
Base-Backbone interact. energy: -0.993
local terms energy: -205.446632
where:
bonds (distance) C4'-P energy: -47.114
bonds (distance) P-C4' energy: -58.558
flat angles C4'-P-C4' energy: -49.968
flat angles P-C4'-P energy: -29.020
tors. eta vs tors. theta energy: -20.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -428.776422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.776422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.776422 (E_RNA)
where:
Base-Base interactions energy: -232.793
where: short stacking energy: -119.650
Base-Backbone interact. energy: -1.446
local terms energy: -194.537503
where:
bonds (distance) C4'-P energy: -50.172
bonds (distance) P-C4' energy: -59.857
flat angles C4'-P-C4' energy: -54.911
flat angles P-C4'-P energy: -25.742
tors. eta vs tors. theta energy: -3.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -1208.322997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.322997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.322997 (E_RNA)
where:
Base-Base interactions energy: -822.390
where: short stacking energy: -364.782
Base-Backbone interact. energy: -0.044
local terms energy: -385.889727
where:
bonds (distance) C4'-P energy: -64.886
bonds (distance) P-C4' energy: -64.233
flat angles C4'-P-C4' energy: -80.935
flat angles P-C4'-P energy: -60.576
tors. eta vs tors. theta energy: -115.260
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: 2
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -1119.170480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.170480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.170480 (E_RNA)
where:
Base-Base interactions energy: -763.048
where: short stacking energy: -328.156
Base-Backbone interact. energy: -0.405
local terms energy: -355.717382
where:
bonds (distance) C4'-P energy: -64.973
bonds (distance) P-C4' energy: -72.235
flat angles C4'-P-C4' energy: -72.651
flat angles P-C4'-P energy: -51.848
tors. eta vs tors. theta energy: -94.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -1061.732480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.732480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.732480 (E_RNA)
where:
Base-Base interactions energy: -732.858
where: short stacking energy: -307.252
Base-Backbone interact. energy: 0.856
local terms energy: -329.731205
where:
bonds (distance) C4'-P energy: -60.058
bonds (distance) P-C4' energy: -74.135
flat angles C4'-P-C4' energy: -69.714
flat angles P-C4'-P energy: -44.769
tors. eta vs tors. theta energy: -81.055
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: 8
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -1033.001619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.001619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.001619 (E_RNA)
where:
Base-Base interactions energy: -744.599
where: short stacking energy: -302.728
Base-Backbone interact. energy: -0.567
local terms energy: -287.836262
where:
bonds (distance) C4'-P energy: -50.484
bonds (distance) P-C4' energy: -58.972
flat angles C4'-P-C4' energy: -68.743
flat angles P-C4'-P energy: -39.363
tors. eta vs tors. theta energy: -70.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -976.312788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.312788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.312788 (E_RNA)
where:
Base-Base interactions energy: -672.012
where: short stacking energy: -286.552
Base-Backbone interact. energy: -0.467
local terms energy: -303.833262
where:
bonds (distance) C4'-P energy: -60.933
bonds (distance) P-C4' energy: -61.394
flat angles C4'-P-C4' energy: -75.313
flat angles P-C4'-P energy: -32.354
tors. eta vs tors. theta energy: -73.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -896.046820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.046820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.046820 (E_RNA)
where:
Base-Base interactions energy: -594.481
where: short stacking energy: -260.168
Base-Backbone interact. energy: -1.336
local terms energy: -300.229538
where:
bonds (distance) C4'-P energy: -62.692
bonds (distance) P-C4' energy: -65.739
flat angles C4'-P-C4' energy: -60.845
flat angles P-C4'-P energy: -41.103
tors. eta vs tors. theta energy: -69.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -854.773981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.773981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.773981 (E_RNA)
where:
Base-Base interactions energy: -556.505
where: short stacking energy: -248.410
Base-Backbone interact. energy: -2.137
local terms energy: -296.132417
where:
bonds (distance) C4'-P energy: -57.150
bonds (distance) P-C4' energy: -58.131
flat angles C4'-P-C4' energy: -65.478
flat angles P-C4'-P energy: -46.207
tors. eta vs tors. theta energy: -69.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -793.759869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.759869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.759869 (E_RNA)
where:
Base-Base interactions energy: -507.940
where: short stacking energy: -228.124
Base-Backbone interact. energy: 1.026
local terms energy: -286.845717
where:
bonds (distance) C4'-P energy: -63.932
bonds (distance) P-C4' energy: -59.528
flat angles C4'-P-C4' energy: -61.801
flat angles P-C4'-P energy: -46.385
tors. eta vs tors. theta energy: -55.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -591.551947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.551947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.551947 (E_RNA)
where:
Base-Base interactions energy: -366.533
where: short stacking energy: -173.180
Base-Backbone interact. energy: 2.405
local terms energy: -227.424426
where:
bonds (distance) C4'-P energy: -57.121
bonds (distance) P-C4' energy: -43.989
flat angles C4'-P-C4' energy: -59.699
flat angles P-C4'-P energy: -31.662
tors. eta vs tors. theta energy: -34.954
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: 10, replica: 7
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -400.608522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.608522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.608522 (E_RNA)
where:
Base-Base interactions energy: -227.306
where: short stacking energy: -114.673
Base-Backbone interact. energy: 0.199
local terms energy: -173.501335
where:
bonds (distance) C4'-P energy: -46.531
bonds (distance) P-C4' energy: -54.893
flat angles C4'-P-C4' energy: -41.996
flat angles P-C4'-P energy: -31.036
tors. eta vs tors. theta energy: 0.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -1195.831525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.831525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.831525 (E_RNA)
where:
Base-Base interactions energy: -806.385
where: short stacking energy: -362.962
Base-Backbone interact. energy: 0.070
local terms energy: -389.516670
where:
bonds (distance) C4'-P energy: -68.220
bonds (distance) P-C4' energy: -74.898
flat angles C4'-P-C4' energy: -78.097
flat angles P-C4'-P energy: -53.200
tors. eta vs tors. theta energy: -115.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -1118.594363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.594363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.594363 (E_RNA)
where:
Base-Base interactions energy: -777.887
where: short stacking energy: -333.496
Base-Backbone interact. energy: -3.710
local terms energy: -336.997223
where:
bonds (distance) C4'-P energy: -67.338
bonds (distance) P-C4' energy: -57.457
flat angles C4'-P-C4' energy: -70.253
flat angles P-C4'-P energy: -42.970
tors. eta vs tors. theta energy: -98.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -1075.406626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.406626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.406626 (E_RNA)
where:
Base-Base interactions energy: -754.830
where: short stacking energy: -301.786
Base-Backbone interact. energy: -1.371
local terms energy: -319.205847
where:
bonds (distance) C4'-P energy: -62.920
bonds (distance) P-C4' energy: -63.730
flat angles C4'-P-C4' energy: -62.121
flat angles P-C4'-P energy: -51.227
tors. eta vs tors. theta energy: -79.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -1079.286632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.286632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.286632 (E_RNA)
where:
Base-Base interactions energy: -730.244
where: short stacking energy: -317.510
Base-Backbone interact. energy: -1.420
local terms energy: -347.623346
where:
bonds (distance) C4'-P energy: -66.066
bonds (distance) P-C4' energy: -71.327
flat angles C4'-P-C4' energy: -68.733
flat angles P-C4'-P energy: -48.173
tors. eta vs tors. theta energy: -93.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -996.163961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.163961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.163961 (E_RNA)
where:
Base-Base interactions energy: -694.267
where: short stacking energy: -298.938
Base-Backbone interact. energy: 2.489
local terms energy: -304.386624
where:
bonds (distance) C4'-P energy: -52.732
bonds (distance) P-C4' energy: -54.037
flat angles C4'-P-C4' energy: -66.907
flat angles P-C4'-P energy: -43.659
tors. eta vs tors. theta energy: -87.052
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: 6, replica: 9
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -852.342286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.342286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.342286 (E_RNA)
where:
Base-Base interactions energy: -576.494
where: short stacking energy: -252.397
Base-Backbone interact. energy: -0.787
local terms energy: -275.061618
where:
bonds (distance) C4'-P energy: -61.636
bonds (distance) P-C4' energy: -59.690
flat angles C4'-P-C4' energy: -52.487
flat angles P-C4'-P energy: -32.709
tors. eta vs tors. theta energy: -68.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -847.585427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.585427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.585427 (E_RNA)
where:
Base-Base interactions energy: -533.550
where: short stacking energy: -258.242
Base-Backbone interact. energy: -2.378
local terms energy: -311.657948
where:
bonds (distance) C4'-P energy: -58.417
bonds (distance) P-C4' energy: -68.681
flat angles C4'-P-C4' energy: -67.589
flat angles P-C4'-P energy: -48.023
tors. eta vs tors. theta energy: -68.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -796.101484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.101484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.101484 (E_RNA)
where:
Base-Base interactions energy: -541.566
where: short stacking energy: -241.790
Base-Backbone interact. energy: -1.137
local terms energy: -253.398763
where:
bonds (distance) C4'-P energy: -46.540
bonds (distance) P-C4' energy: -51.936
flat angles C4'-P-C4' energy: -59.081
flat angles P-C4'-P energy: -37.529
tors. eta vs tors. theta energy: -58.313
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: 9, replica: 5
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -613.002590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.002590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.002590 (E_RNA)
where:
Base-Base interactions energy: -378.388
where: short stacking energy: -174.555
Base-Backbone interact. energy: 0.785
local terms energy: -235.399260
where:
bonds (distance) C4'-P energy: -57.160
bonds (distance) P-C4' energy: -61.235
flat angles C4'-P-C4' energy: -64.669
flat angles P-C4'-P energy: -28.031
tors. eta vs tors. theta energy: -24.305
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: 7
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -392.162124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.162124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.162124 (E_RNA)
where:
Base-Base interactions energy: -190.010
where: short stacking energy: -104.310
Base-Backbone interact. energy: -1.753
local terms energy: -200.399164
where:
bonds (distance) C4'-P energy: -44.113
bonds (distance) P-C4' energy: -71.430
flat angles C4'-P-C4' energy: -51.963
flat angles P-C4'-P energy: -23.327
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: 1, replica: 1
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -1203.258130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.258130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.258130 (E_RNA)
where:
Base-Base interactions energy: -817.728
where: short stacking energy: -356.461
Base-Backbone interact. energy: -0.179
local terms energy: -385.350672
where:
bonds (distance) C4'-P energy: -65.036
bonds (distance) P-C4' energy: -66.280
flat angles C4'-P-C4' energy: -77.515
flat angles P-C4'-P energy: -62.750
tors. eta vs tors. theta energy: -113.768
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: 423
Temperature: 0.950000
Total energy: -1123.952782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.952782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.952782 (E_RNA)
where:
Base-Base interactions energy: -763.391
where: short stacking energy: -318.543
Base-Backbone interact. energy: -1.204
local terms energy: -359.358007
where:
bonds (distance) C4'-P energy: -64.245
bonds (distance) P-C4' energy: -72.255
flat angles C4'-P-C4' energy: -77.397
flat angles P-C4'-P energy: -60.797
tors. eta vs tors. theta energy: -84.664
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: 8
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -1049.329493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.329493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.329493 (E_RNA)
where:
Base-Base interactions energy: -727.491
where: short stacking energy: -297.060
Base-Backbone interact. energy: 0.510
local terms energy: -322.348536
where:
bonds (distance) C4'-P energy: -58.004
bonds (distance) P-C4' energy: -69.826
flat angles C4'-P-C4' energy: -72.280
flat angles P-C4'-P energy: -47.703
tors. eta vs tors. theta energy: -74.535
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: 10
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -1064.923447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.923447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.923447 (E_RNA)
where:
Base-Base interactions energy: -730.158
where: short stacking energy: -303.476
Base-Backbone interact. energy: -1.301
local terms energy: -333.464438
where:
bonds (distance) C4'-P energy: -60.878
bonds (distance) P-C4' energy: -56.459
flat angles C4'-P-C4' energy: -74.176
flat angles P-C4'-P energy: -49.060
tors. eta vs tors. theta energy: -92.893
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: 6
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -998.183037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.183037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.183037 (E_RNA)
where:
Base-Base interactions energy: -694.837
where: short stacking energy: -290.830
Base-Backbone interact. energy: -1.708
local terms energy: -301.638159
where:
bonds (distance) C4'-P energy: -54.677
bonds (distance) P-C4' energy: -52.862
flat angles C4'-P-C4' energy: -71.670
flat angles P-C4'-P energy: -43.203
tors. eta vs tors. theta energy: -79.225
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: 9
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -847.542501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.542501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.542501 (E_RNA)
where:
Base-Base interactions energy: -562.738
where: short stacking energy: -255.199
Base-Backbone interact. energy: 0.199
local terms energy: -285.003683
where:
bonds (distance) C4'-P energy: -59.545
bonds (distance) P-C4' energy: -59.970
flat angles C4'-P-C4' energy: -66.292
flat angles P-C4'-P energy: -40.381
tors. eta vs tors. theta energy: -58.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -858.468565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.468565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.468565 (E_RNA)
where:
Base-Base interactions energy: -563.531
where: short stacking energy: -271.382
Base-Backbone interact. energy: -1.045
local terms energy: -293.892910
where:
bonds (distance) C4'-P energy: -52.583
bonds (distance) P-C4' energy: -62.193
flat angles C4'-P-C4' energy: -63.637
flat angles P-C4'-P energy: -37.832
tors. eta vs tors. theta energy: -77.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -803.429524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.429524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.429524 (E_RNA)
where:
Base-Base interactions energy: -545.618
where: short stacking energy: -236.161
Base-Backbone interact. energy: 0.632
local terms energy: -258.443369
where:
bonds (distance) C4'-P energy: -61.248
bonds (distance) P-C4' energy: -43.420
flat angles C4'-P-C4' energy: -54.943
flat angles P-C4'-P energy: -39.525
tors. eta vs tors. theta energy: -59.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -630.475792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.475792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.475792 (E_RNA)
where:
Base-Base interactions energy: -387.657
where: short stacking energy: -191.843
Base-Backbone interact. energy: 0.714
local terms energy: -243.532363
where:
bonds (distance) C4'-P energy: -44.848
bonds (distance) P-C4' energy: -66.830
flat angles C4'-P-C4' energy: -52.743
flat angles P-C4'-P energy: -33.385
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: 10, replica: 7
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -405.088191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.088191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.088191 (E_RNA)
where:
Base-Base interactions energy: -218.763
where: short stacking energy: -115.399
Base-Backbone interact. energy: -1.729
local terms energy: -184.595473
where:
bonds (distance) C4'-P energy: -50.418
bonds (distance) P-C4' energy: -54.989
flat angles C4'-P-C4' energy: -41.522
flat angles P-C4'-P energy: -26.467
tors. eta vs tors. theta energy: -11.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -1212.185896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.185896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.185896 (E_RNA)
where:
Base-Base interactions energy: -818.679
where: short stacking energy: -373.110
Base-Backbone interact. energy: -1.252
local terms energy: -392.254855
where:
bonds (distance) C4'-P energy: -73.063
bonds (distance) P-C4' energy: -67.799
flat angles C4'-P-C4' energy: -85.020
flat angles P-C4'-P energy: -50.047
tors. eta vs tors. theta energy: -116.326
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: 2
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -1140.868521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.868521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.868521 (E_RNA)
where:
Base-Base interactions energy: -792.387
where: short stacking energy: -346.467
Base-Backbone interact. energy: 0.432
local terms energy: -348.913746
where:
bonds (distance) C4'-P energy: -63.748
bonds (distance) P-C4' energy: -65.000
flat angles C4'-P-C4' energy: -69.197
flat angles P-C4'-P energy: -52.716
tors. eta vs tors. theta energy: -98.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -1070.563488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.563488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.563488 (E_RNA)
where:
Base-Base interactions energy: -740.255
where: short stacking energy: -333.672
Base-Backbone interact. energy: 0.987
local terms energy: -331.295921
where:
bonds (distance) C4'-P energy: -63.072
bonds (distance) P-C4' energy: -62.265
flat angles C4'-P-C4' energy: -66.761
flat angles P-C4'-P energy: -43.297
tors. eta vs tors. theta energy: -95.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -1023.636200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.636200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.636200 (E_RNA)
where:
Base-Base interactions energy: -727.178
where: short stacking energy: -279.397
Base-Backbone interact. energy: 2.321
local terms energy: -298.778946
where:
bonds (distance) C4'-P energy: -67.705
bonds (distance) P-C4' energy: -63.045
flat angles C4'-P-C4' energy: -58.119
flat angles P-C4'-P energy: -44.746
tors. eta vs tors. theta energy: -65.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -1007.935764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.935764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.935764 (E_RNA)
where:
Base-Base interactions energy: -698.797
where: short stacking energy: -289.399
Base-Backbone interact. energy: 0.590
local terms energy: -309.729209
where:
bonds (distance) C4'-P energy: -60.356
bonds (distance) P-C4' energy: -50.530
flat angles C4'-P-C4' energy: -64.079
flat angles P-C4'-P energy: -49.249
tors. eta vs tors. theta energy: -85.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -852.859811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.859811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.859811 (E_RNA)
where:
Base-Base interactions energy: -571.402
where: short stacking energy: -256.892
Base-Backbone interact. energy: -1.748
local terms energy: -279.709766
where:
bonds (distance) C4'-P energy: -48.395
bonds (distance) P-C4' energy: -59.130
flat angles C4'-P-C4' energy: -64.613
flat angles P-C4'-P energy: -42.961
tors. eta vs tors. theta energy: -64.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -852.840868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.840868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.840868 (E_RNA)
where:
Base-Base interactions energy: -574.533
where: short stacking energy: -264.332
Base-Backbone interact. energy: 4.381
local terms energy: -282.689305
where:
bonds (distance) C4'-P energy: -56.060
bonds (distance) P-C4' energy: -53.555
flat angles C4'-P-C4' energy: -61.944
flat angles P-C4'-P energy: -38.401
tors. eta vs tors. theta energy: -72.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -805.583567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.583567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.583567 (E_RNA)
where:
Base-Base interactions energy: -522.181
where: short stacking energy: -235.395
Base-Backbone interact. energy: -1.456
local terms energy: -281.946653
where:
bonds (distance) C4'-P energy: -57.958
bonds (distance) P-C4' energy: -65.867
flat angles C4'-P-C4' energy: -56.829
flat angles P-C4'-P energy: -38.112
tors. eta vs tors. theta energy: -63.180
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: 5
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -603.753637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.753637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.753637 (E_RNA)
where:
Base-Base interactions energy: -374.008
where: short stacking energy: -190.069
Base-Backbone interact. energy: 0.987
local terms energy: -230.731768
where:
bonds (distance) C4'-P energy: -54.626
bonds (distance) P-C4' energy: -54.145
flat angles C4'-P-C4' energy: -48.676
flat angles P-C4'-P energy: -37.156
tors. eta vs tors. theta energy: -36.129
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: 7
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -453.313327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.313327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.313327 (E_RNA)
where:
Base-Base interactions energy: -251.061
where: short stacking energy: -126.246
Base-Backbone interact. energy: -1.753
local terms energy: -200.499360
where:
bonds (distance) C4'-P energy: -63.845
bonds (distance) P-C4' energy: -55.102
flat angles C4'-P-C4' energy: -35.940
flat angles P-C4'-P energy: -29.070
tors. eta vs tors. theta energy: -16.543
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: 1
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -1203.013984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.013984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.013984 (E_RNA)
where:
Base-Base interactions energy: -821.989
where: short stacking energy: -371.429
Base-Backbone interact. energy: -0.753
local terms energy: -380.271855
where:
bonds (distance) C4'-P energy: -66.256
bonds (distance) P-C4' energy: -67.197
flat angles C4'-P-C4' energy: -75.760
flat angles P-C4'-P energy: -54.380
tors. eta vs tors. theta energy: -116.679
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: 2
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -1136.833691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.833691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.833691 (E_RNA)
where:
Base-Base interactions energy: -777.670
where: short stacking energy: -348.308
Base-Backbone interact. energy: -1.288
local terms energy: -357.876001
where:
bonds (distance) C4'-P energy: -66.458
bonds (distance) P-C4' energy: -64.127
flat angles C4'-P-C4' energy: -80.460
flat angles P-C4'-P energy: -52.251
tors. eta vs tors. theta energy: -94.581
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: 3, replica: 10
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -1075.313762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.313762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.313762 (E_RNA)
where:
Base-Base interactions energy: -731.684
where: short stacking energy: -337.524
Base-Backbone interact. energy: -1.713
local terms energy: -341.916496
where:
bonds (distance) C4'-P energy: -56.151
bonds (distance) P-C4' energy: -68.609
flat angles C4'-P-C4' energy: -76.651
flat angles P-C4'-P energy: -46.586
tors. eta vs tors. theta energy: -93.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -1051.244954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.244954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.244954 (E_RNA)
where:
Base-Base interactions energy: -732.138
where: short stacking energy: -315.934
Base-Backbone interact. energy: -1.812
local terms energy: -317.294339
where:
bonds (distance) C4'-P energy: -65.816
bonds (distance) P-C4' energy: -58.904
flat angles C4'-P-C4' energy: -67.128
flat angles P-C4'-P energy: -43.105
tors. eta vs tors. theta energy: -82.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -1010.714571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.714571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.714571 (E_RNA)
where:
Base-Base interactions energy: -716.298
where: short stacking energy: -287.124
Base-Backbone interact. energy: -1.227
local terms energy: -293.189378
where:
bonds (distance) C4'-P energy: -51.246
bonds (distance) P-C4' energy: -64.557
flat angles C4'-P-C4' energy: -64.835
flat angles P-C4'-P energy: -37.974
tors. eta vs tors. theta energy: -74.577
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: 9
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -859.238373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.238373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.238373 (E_RNA)
where:
Base-Base interactions energy: -570.350
where: short stacking energy: -252.978
Base-Backbone interact. energy: -0.550
local terms energy: -288.338795
where:
bonds (distance) C4'-P energy: -60.950
bonds (distance) P-C4' energy: -64.300
flat angles C4'-P-C4' energy: -61.110
flat angles P-C4'-P energy: -38.825
tors. eta vs tors. theta energy: -63.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -856.383141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.383141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.383141 (E_RNA)
where:
Base-Base interactions energy: -564.030
where: short stacking energy: -243.193
Base-Backbone interact. energy: -2.473
local terms energy: -289.880692
where:
bonds (distance) C4'-P energy: -57.719
bonds (distance) P-C4' energy: -64.126
flat angles C4'-P-C4' energy: -64.944
flat angles P-C4'-P energy: -38.933
tors. eta vs tors. theta energy: -64.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -796.699661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.699661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.699661 (E_RNA)
where:
Base-Base interactions energy: -531.228
where: short stacking energy: -247.998
Base-Backbone interact. energy: -0.859
local terms energy: -264.613133
where:
bonds (distance) C4'-P energy: -55.650
bonds (distance) P-C4' energy: -54.130
flat angles C4'-P-C4' energy: -61.545
flat angles P-C4'-P energy: -38.692
tors. eta vs tors. theta energy: -54.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -565.909886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.909886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.909886 (E_RNA)
where:
Base-Base interactions energy: -355.554
where: short stacking energy: -185.814
Base-Backbone interact. energy: -0.678
local terms energy: -209.677597
where:
bonds (distance) C4'-P energy: -43.920
bonds (distance) P-C4' energy: -51.098
flat angles C4'-P-C4' energy: -48.131
flat angles P-C4'-P energy: -29.622
tors. eta vs tors. theta energy: -36.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -430.438993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.438993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.438993 (E_RNA)
where:
Base-Base interactions energy: -239.654
where: short stacking energy: -118.971
Base-Backbone interact. energy: -0.817
local terms energy: -189.967882
where:
bonds (distance) C4'-P energy: -55.760
bonds (distance) P-C4' energy: -49.095
flat angles C4'-P-C4' energy: -44.225
flat angles P-C4'-P energy: -32.556
tors. eta vs tors. theta energy: -8.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -1202.388078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.388078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.388078 (E_RNA)
where:
Base-Base interactions energy: -834.266
where: short stacking energy: -379.248
Base-Backbone interact. energy: -0.122
local terms energy: -367.999950
where:
bonds (distance) C4'-P energy: -50.876
bonds (distance) P-C4' energy: -69.369
flat angles C4'-P-C4' energy: -76.293
flat angles P-C4'-P energy: -55.591
tors. eta vs tors. theta energy: -115.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -1137.719808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.719808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.719808 (E_RNA)
where:
Base-Base interactions energy: -776.075
where: short stacking energy: -349.151
Base-Backbone interact. energy: -1.127
local terms energy: -360.517377
where:
bonds (distance) C4'-P energy: -70.817
bonds (distance) P-C4' energy: -72.226
flat angles C4'-P-C4' energy: -74.361
flat angles P-C4'-P energy: -46.279
tors. eta vs tors. theta energy: -96.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -1092.143907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.143907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.143907 (E_RNA)
where:
Base-Base interactions energy: -754.789
where: short stacking energy: -310.285
Base-Backbone interact. energy: -2.205
local terms energy: -335.149746
where:
bonds (distance) C4'-P energy: -57.150
bonds (distance) P-C4' energy: -67.352
flat angles C4'-P-C4' energy: -71.798
flat angles P-C4'-P energy: -45.671
tors. eta vs tors. theta energy: -93.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -1064.141123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.141123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.141123 (E_RNA)
where:
Base-Base interactions energy: -731.019
where: short stacking energy: -298.170
Base-Backbone interact. energy: -1.241
local terms energy: -331.880377
where:
bonds (distance) C4'-P energy: -54.998
bonds (distance) P-C4' energy: -70.153
flat angles C4'-P-C4' energy: -65.552
flat angles P-C4'-P energy: -52.710
tors. eta vs tors. theta energy: -88.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -1024.001197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.001197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.001197 (E_RNA)
where:
Base-Base interactions energy: -732.091
where: short stacking energy: -290.068
Base-Backbone interact. energy: -1.773
local terms energy: -290.137339
where:
bonds (distance) C4'-P energy: -56.939
bonds (distance) P-C4' energy: -63.463
flat angles C4'-P-C4' energy: -62.549
flat angles P-C4'-P energy: -33.183
tors. eta vs tors. theta energy: -74.003
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: 9
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -874.912570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.912570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.912570 (E_RNA)
where:
Base-Base interactions energy: -566.756
where: short stacking energy: -252.835
Base-Backbone interact. energy: -3.193
local terms energy: -304.963080
where:
bonds (distance) C4'-P energy: -63.701
bonds (distance) P-C4' energy: -64.900
flat angles C4'-P-C4' energy: -69.523
flat angles P-C4'-P energy: -46.741
tors. eta vs tors. theta energy: -60.098
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: 3
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -813.444890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.444890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.444890 (E_RNA)
where:
Base-Base interactions energy: -539.719
where: short stacking energy: -239.512
Base-Backbone interact. energy: -0.991
local terms energy: -272.734340
where:
bonds (distance) C4'-P energy: -49.414
bonds (distance) P-C4' energy: -64.596
flat angles C4'-P-C4' energy: -53.078
flat angles P-C4'-P energy: -40.744
tors. eta vs tors. theta energy: -64.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -836.303248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.303248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.303248 (E_RNA)
where:
Base-Base interactions energy: -553.941
where: short stacking energy: -244.954
Base-Backbone interact. energy: -0.985
local terms energy: -281.377513
where:
bonds (distance) C4'-P energy: -55.446
bonds (distance) P-C4' energy: -52.431
flat angles C4'-P-C4' energy: -58.068
flat angles P-C4'-P energy: -47.262
tors. eta vs tors. theta energy: -68.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -580.435438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.435438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.435438 (E_RNA)
where:
Base-Base interactions energy: -342.671
where: short stacking energy: -173.403
Base-Backbone interact. energy: 1.490
local terms energy: -239.253629
where:
bonds (distance) C4'-P energy: -52.975
bonds (distance) P-C4' energy: -54.314
flat angles C4'-P-C4' energy: -60.101
flat angles P-C4'-P energy: -40.177
tors. eta vs tors. theta energy: -31.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -433.861482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.861482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.861482 (E_RNA)
where:
Base-Base interactions energy: -219.129
where: short stacking energy: -124.385
Base-Backbone interact. energy: 0.218
local terms energy: -214.950215
where:
bonds (distance) C4'-P energy: -55.761
bonds (distance) P-C4' energy: -60.297
flat angles C4'-P-C4' energy: -58.016
flat angles P-C4'-P energy: -24.279
tors. eta vs tors. theta energy: -16.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -1214.977516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.977516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.977516 (E_RNA)
where:
Base-Base interactions energy: -832.943
where: short stacking energy: -380.050
Base-Backbone interact. energy: 0.331
local terms energy: -382.365544
where:
bonds (distance) C4'-P energy: -70.655
bonds (distance) P-C4' energy: -69.225
flat angles C4'-P-C4' energy: -80.730
flat angles P-C4'-P energy: -46.624
tors. eta vs tors. theta energy: -115.131
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: 2
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -1142.274418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.274418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.274418 (E_RNA)
where:
Base-Base interactions energy: -795.842
where: short stacking energy: -345.655
Base-Backbone interact. energy: -0.726
local terms energy: -345.706537
where:
bonds (distance) C4'-P energy: -59.442
bonds (distance) P-C4' energy: -64.524
flat angles C4'-P-C4' energy: -74.811
flat angles P-C4'-P energy: -50.407
tors. eta vs tors. theta energy: -96.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -1089.723378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.723378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.723378 (E_RNA)
where:
Base-Base interactions energy: -752.290
where: short stacking energy: -334.156
Base-Backbone interact. energy: -0.163
local terms energy: -337.270077
where:
bonds (distance) C4'-P energy: -64.352
bonds (distance) P-C4' energy: -62.436
flat angles C4'-P-C4' energy: -72.403
flat angles P-C4'-P energy: -41.133
tors. eta vs tors. theta energy: -96.946
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: 8
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -1052.472187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.472187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.472187 (E_RNA)
where:
Base-Base interactions energy: -732.271
where: short stacking energy: -317.303
Base-Backbone interact. energy: -0.853
local terms energy: -319.348012
where:
bonds (distance) C4'-P energy: -64.312
bonds (distance) P-C4' energy: -59.176
flat angles C4'-P-C4' energy: -62.657
flat angles P-C4'-P energy: -48.656
tors. eta vs tors. theta energy: -84.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -1040.588806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.588806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.588806 (E_RNA)
where:
Base-Base interactions energy: -711.837
where: short stacking energy: -297.644
Base-Backbone interact. energy: 0.341
local terms energy: -329.093033
where:
bonds (distance) C4'-P energy: -66.346
bonds (distance) P-C4' energy: -65.743
flat angles C4'-P-C4' energy: -63.666
flat angles P-C4'-P energy: -43.836
tors. eta vs tors. theta energy: -89.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -854.382726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.382726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.382726 (E_RNA)
where:
Base-Base interactions energy: -576.687
where: short stacking energy: -272.543
Base-Backbone interact. energy: -1.337
local terms energy: -276.358887
where:
bonds (distance) C4'-P energy: -48.965
bonds (distance) P-C4' energy: -49.620
flat angles C4'-P-C4' energy: -63.186
flat angles P-C4'-P energy: -38.031
tors. eta vs tors. theta energy: -76.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -781.362875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.362875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.362875 (E_RNA)
where:
Base-Base interactions energy: -517.855
where: short stacking energy: -221.424
Base-Backbone interact. energy: -1.220
local terms energy: -262.287512
where:
bonds (distance) C4'-P energy: -60.186
bonds (distance) P-C4' energy: -54.541
flat angles C4'-P-C4' energy: -55.708
flat angles P-C4'-P energy: -40.071
tors. eta vs tors. theta energy: -51.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -791.749409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.749409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.749409 (E_RNA)
where:
Base-Base interactions energy: -522.517
where: short stacking energy: -258.147
Base-Backbone interact. energy: 1.247
local terms energy: -270.480064
where:
bonds (distance) C4'-P energy: -50.393
bonds (distance) P-C4' energy: -52.369
flat angles C4'-P-C4' energy: -54.981
flat angles P-C4'-P energy: -41.496
tors. eta vs tors. theta energy: -71.241
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: 427
Temperature: 1.300000
Total energy: -602.785452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.785452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.785452 (E_RNA)
where:
Base-Base interactions energy: -337.635
where: short stacking energy: -180.171
Base-Backbone interact. energy: 2.069
local terms energy: -267.219415
where:
bonds (distance) C4'-P energy: -64.978
bonds (distance) P-C4' energy: -59.813
flat angles C4'-P-C4' energy: -57.943
flat angles P-C4'-P energy: -44.957
tors. eta vs tors. theta energy: -39.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -413.841049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.841049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.841049 (E_RNA)
where:
Base-Base interactions energy: -220.199
where: short stacking energy: -137.908
Base-Backbone interact. energy: -1.422
local terms energy: -192.219143
where:
bonds (distance) C4'-P energy: -49.021
bonds (distance) P-C4' energy: -59.453
flat angles C4'-P-C4' energy: -43.646
flat angles P-C4'-P energy: -34.505
tors. eta vs tors. theta energy: -5.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -1190.235873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.235873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.235873 (E_RNA)
where:
Base-Base interactions energy: -805.542
where: short stacking energy: -359.452
Base-Backbone interact. energy: -0.172
local terms energy: -384.521819
where:
bonds (distance) C4'-P energy: -68.490
bonds (distance) P-C4' energy: -66.839
flat angles C4'-P-C4' energy: -82.598
flat angles P-C4'-P energy: -53.109
tors. eta vs tors. theta energy: -113.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -1131.759537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.759537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.759537 (E_RNA)
where:
Base-Base interactions energy: -769.779
where: short stacking energy: -319.284
Base-Backbone interact. energy: -1.825
local terms energy: -360.156329
where:
bonds (distance) C4'-P energy: -70.967
bonds (distance) P-C4' energy: -68.921
flat angles C4'-P-C4' energy: -77.760
flat angles P-C4'-P energy: -59.475
tors. eta vs tors. theta energy: -83.034
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: 8
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -1097.320430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.320430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.320430 (E_RNA)
where:
Base-Base interactions energy: -752.357
where: short stacking energy: -323.556
Base-Backbone interact. energy: -3.524
local terms energy: -341.440068
where:
bonds (distance) C4'-P energy: -63.634
bonds (distance) P-C4' energy: -75.752
flat angles C4'-P-C4' energy: -69.592
flat angles P-C4'-P energy: -41.267
tors. eta vs tors. theta energy: -91.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -1068.046345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.046345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.046345 (E_RNA)
where:
Base-Base interactions energy: -741.406
where: short stacking energy: -322.792
Base-Backbone interact. energy: -2.672
local terms energy: -323.968461
where:
bonds (distance) C4'-P energy: -50.564
bonds (distance) P-C4' energy: -60.958
flat angles C4'-P-C4' energy: -66.356
flat angles P-C4'-P energy: -51.607
tors. eta vs tors. theta energy: -94.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -1028.673557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.673557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.673557 (E_RNA)
where:
Base-Base interactions energy: -706.220
where: short stacking energy: -284.749
Base-Backbone interact. energy: -2.781
local terms energy: -319.672909
where:
bonds (distance) C4'-P energy: -53.463
bonds (distance) P-C4' energy: -54.113
flat angles C4'-P-C4' energy: -70.004
flat angles P-C4'-P energy: -50.241
tors. eta vs tors. theta energy: -91.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -849.773932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.773932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.773932 (E_RNA)
where:
Base-Base interactions energy: -564.356
where: short stacking energy: -251.546
Base-Backbone interact. energy: -1.370
local terms energy: -284.047587
where:
bonds (distance) C4'-P energy: -55.819
bonds (distance) P-C4' energy: -61.391
flat angles C4'-P-C4' energy: -63.345
flat angles P-C4'-P energy: -38.952
tors. eta vs tors. theta energy: -64.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -807.107501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.107501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.107501 (E_RNA)
where:
Base-Base interactions energy: -537.211
where: short stacking energy: -245.409
Base-Backbone interact. energy: -1.346
local terms energy: -268.550419
where:
bonds (distance) C4'-P energy: -57.462
bonds (distance) P-C4' energy: -57.159
flat angles C4'-P-C4' energy: -54.272
flat angles P-C4'-P energy: -34.795
tors. eta vs tors. theta energy: -64.861
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: 3
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -760.145722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.145722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.145722 (E_RNA)
where:
Base-Base interactions energy: -524.325
where: short stacking energy: -216.558
Base-Backbone interact. energy: 1.871
local terms energy: -237.691241
where:
bonds (distance) C4'-P energy: -44.298
bonds (distance) P-C4' energy: -49.690
flat angles C4'-P-C4' energy: -54.694
flat angles P-C4'-P energy: -43.451
tors. eta vs tors. theta energy: -45.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -580.319086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.319086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.319086 (E_RNA)
where:
Base-Base interactions energy: -364.596
where: short stacking energy: -170.229
Base-Backbone interact. energy: -1.372
local terms energy: -214.350967
where:
bonds (distance) C4'-P energy: -50.891
bonds (distance) P-C4' energy: -50.609
flat angles C4'-P-C4' energy: -43.050
flat angles P-C4'-P energy: -40.043
tors. eta vs tors. theta energy: -29.757
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: 10, replica: 7
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -408.564234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.564234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.564234 (E_RNA)
where:
Base-Base interactions energy: -212.497
where: short stacking energy: -137.470
Base-Backbone interact. energy: 1.746
local terms energy: -197.813113
where:
bonds (distance) C4'-P energy: -48.828
bonds (distance) P-C4' energy: -62.256
flat angles C4'-P-C4' energy: -47.688
flat angles P-C4'-P energy: -30.307
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: 1, replica: 1
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -1194.546174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.546174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.546174 (E_RNA)
where:
Base-Base interactions energy: -807.649
where: short stacking energy: -358.587
Base-Backbone interact. energy: -0.192
local terms energy: -386.704547
where:
bonds (distance) C4'-P energy: -69.113
bonds (distance) P-C4' energy: -70.444
flat angles C4'-P-C4' energy: -83.946
flat angles P-C4'-P energy: -46.427
tors. eta vs tors. theta energy: -116.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -1117.490340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.490340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.490340 (E_RNA)
where:
Base-Base interactions energy: -776.905
where: short stacking energy: -337.746
Base-Backbone interact. energy: -1.396
local terms energy: -339.189897
where:
bonds (distance) C4'-P energy: -50.854
bonds (distance) P-C4' energy: -68.264
flat angles C4'-P-C4' energy: -67.440
flat angles P-C4'-P energy: -56.135
tors. eta vs tors. theta energy: -96.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -1127.963568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.963568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.963568 (E_RNA)
where:
Base-Base interactions energy: -777.273
where: short stacking energy: -340.670
Base-Backbone interact. energy: -0.604
local terms energy: -350.086633
where:
bonds (distance) C4'-P energy: -71.124
bonds (distance) P-C4' energy: -52.906
flat angles C4'-P-C4' energy: -73.388
flat angles P-C4'-P energy: -51.554
tors. eta vs tors. theta energy: -101.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -1063.556847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.556847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.556847 (E_RNA)
where:
Base-Base interactions energy: -752.703
where: short stacking energy: -320.808
Base-Backbone interact. energy: -2.530
local terms energy: -308.324508
where:
bonds (distance) C4'-P energy: -43.482
bonds (distance) P-C4' energy: -64.280
flat angles C4'-P-C4' energy: -67.984
flat angles P-C4'-P energy: -40.712
tors. eta vs tors. theta energy: -91.868
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: 6
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -1049.255829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.255829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.255829 (E_RNA)
where:
Base-Base interactions energy: -735.645
where: short stacking energy: -309.713
Base-Backbone interact. energy: -1.626
local terms energy: -311.985005
where:
bonds (distance) C4'-P energy: -58.365
bonds (distance) P-C4' energy: -54.970
flat angles C4'-P-C4' energy: -71.100
flat angles P-C4'-P energy: -39.593
tors. eta vs tors. theta energy: -87.956
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: 4
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -812.452242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.452242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.452242 (E_RNA)
where:
Base-Base interactions energy: -526.498
where: short stacking energy: -248.973
Base-Backbone interact. energy: -0.922
local terms energy: -285.032607
where:
bonds (distance) C4'-P energy: -54.099
bonds (distance) P-C4' energy: -63.427
flat angles C4'-P-C4' energy: -61.414
flat angles P-C4'-P energy: -41.142
tors. eta vs tors. theta energy: -64.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -843.347657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.347657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.347657 (E_RNA)
where:
Base-Base interactions energy: -550.687
where: short stacking energy: -258.481
Base-Backbone interact. energy: -1.681
local terms energy: -290.980028
where:
bonds (distance) C4'-P energy: -52.796
bonds (distance) P-C4' energy: -59.085
flat angles C4'-P-C4' energy: -59.693
flat angles P-C4'-P energy: -44.744
tors. eta vs tors. theta energy: -74.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -776.733801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.733801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.733801 (E_RNA)
where:
Base-Base interactions energy: -520.439
where: short stacking energy: -227.643
Base-Backbone interact. energy: 1.784
local terms energy: -258.078519
where:
bonds (distance) C4'-P energy: -49.344
bonds (distance) P-C4' energy: -59.667
flat angles C4'-P-C4' energy: -55.330
flat angles P-C4'-P energy: -39.257
tors. eta vs tors. theta energy: -54.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -568.593828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.593828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.593828 (E_RNA)
where:
Base-Base interactions energy: -337.701
where: short stacking energy: -171.987
Base-Backbone interact. energy: -0.803
local terms energy: -230.089265
where:
bonds (distance) C4'-P energy: -44.312
bonds (distance) P-C4' energy: -56.913
flat angles C4'-P-C4' energy: -56.572
flat angles P-C4'-P energy: -41.012
tors. eta vs tors. theta energy: -31.280
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: 7
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -410.983661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.983661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.983661 (E_RNA)
where:
Base-Base interactions energy: -237.911
where: short stacking energy: -129.024
Base-Backbone interact. energy: 0.471
local terms energy: -173.543563
where:
bonds (distance) C4'-P energy: -32.742
bonds (distance) P-C4' energy: -57.828
flat angles C4'-P-C4' energy: -57.401
flat angles P-C4'-P energy: -21.174
tors. eta vs tors. theta energy: -4.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -1197.317291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.317291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.317291 (E_RNA)
where:
Base-Base interactions energy: -827.312
where: short stacking energy: -370.736
Base-Backbone interact. energy: 0.000
local terms energy: -370.005875
where:
bonds (distance) C4'-P energy: -65.233
bonds (distance) P-C4' energy: -66.518
flat angles C4'-P-C4' energy: -75.656
flat angles P-C4'-P energy: -48.232
tors. eta vs tors. theta energy: -114.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -1117.622142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.622142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.622142 (E_RNA)
where:
Base-Base interactions energy: -760.669
where: short stacking energy: -314.777
Base-Backbone interact. energy: 4.420
local terms energy: -361.372910
where:
bonds (distance) C4'-P energy: -73.654
bonds (distance) P-C4' energy: -69.421
flat angles C4'-P-C4' energy: -77.536
flat angles P-C4'-P energy: -54.027
tors. eta vs tors. theta energy: -86.735
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: 2
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -1098.785925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.785925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.785925 (E_RNA)
where:
Base-Base interactions energy: -755.614
where: short stacking energy: -324.695
Base-Backbone interact. energy: 2.205
local terms energy: -345.376912
where:
bonds (distance) C4'-P energy: -62.637
bonds (distance) P-C4' energy: -58.428
flat angles C4'-P-C4' energy: -75.438
flat angles P-C4'-P energy: -53.880
tors. eta vs tors. theta energy: -94.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -1075.180411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.180411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.180411 (E_RNA)
where:
Base-Base interactions energy: -747.662
where: short stacking energy: -337.101
Base-Backbone interact. energy: -2.531
local terms energy: -324.986789
where:
bonds (distance) C4'-P energy: -57.218
bonds (distance) P-C4' energy: -62.299
flat angles C4'-P-C4' energy: -73.564
flat angles P-C4'-P energy: -35.518
tors. eta vs tors. theta energy: -96.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -1014.772268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.772268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.772268 (E_RNA)
where:
Base-Base interactions energy: -701.890
where: short stacking energy: -293.028
Base-Backbone interact. energy: -1.944
local terms energy: -310.938392
where:
bonds (distance) C4'-P energy: -58.808
bonds (distance) P-C4' energy: -62.370
flat angles C4'-P-C4' energy: -70.558
flat angles P-C4'-P energy: -35.593
tors. eta vs tors. theta energy: -83.609
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: 4
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -818.033169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.033169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.033169 (E_RNA)
where:
Base-Base interactions energy: -549.189
where: short stacking energy: -256.003
Base-Backbone interact. energy: 2.100
local terms energy: -270.944239
where:
bonds (distance) C4'-P energy: -55.581
bonds (distance) P-C4' energy: -49.938
flat angles C4'-P-C4' energy: -64.624
flat angles P-C4'-P energy: -37.759
tors. eta vs tors. theta energy: -63.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -828.026229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.026229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.026229 (E_RNA)
where:
Base-Base interactions energy: -555.725
where: short stacking energy: -260.694
Base-Backbone interact. energy: 1.603
local terms energy: -273.903872
where:
bonds (distance) C4'-P energy: -43.661
bonds (distance) P-C4' energy: -58.359
flat angles C4'-P-C4' energy: -64.557
flat angles P-C4'-P energy: -47.178
tors. eta vs tors. theta energy: -60.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -763.851719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.851719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.851719 (E_RNA)
where:
Base-Base interactions energy: -499.428
where: short stacking energy: -230.570
Base-Backbone interact. energy: -2.117
local terms energy: -262.306385
where:
bonds (distance) C4'-P energy: -60.946
bonds (distance) P-C4' energy: -54.533
flat angles C4'-P-C4' energy: -57.131
flat angles P-C4'-P energy: -36.142
tors. eta vs tors. theta energy: -53.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -568.500425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.500425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.500425 (E_RNA)
where:
Base-Base interactions energy: -351.051
where: short stacking energy: -177.611
Base-Backbone interact. energy: -1.641
local terms energy: -215.807739
where:
bonds (distance) C4'-P energy: -35.645
bonds (distance) P-C4' energy: -57.214
flat angles C4'-P-C4' energy: -53.586
flat angles P-C4'-P energy: -31.042
tors. eta vs tors. theta energy: -38.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -444.161989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.161989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.161989 (E_RNA)
where:
Base-Base interactions energy: -232.470
where: short stacking energy: -118.198
Base-Backbone interact. energy: 0.934
local terms energy: -212.625844
where:
bonds (distance) C4'-P energy: -63.407
bonds (distance) P-C4' energy: -54.890
flat angles C4'-P-C4' energy: -39.968
flat angles P-C4'-P energy: -44.340
tors. eta vs tors. theta energy: -10.021
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: 1
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -1189.261483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.261483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.261483 (E_RNA)
where:
Base-Base interactions energy: -820.516
where: short stacking energy: -373.349
Base-Backbone interact. energy: -0.931
local terms energy: -367.814784
where:
bonds (distance) C4'-P energy: -63.195
bonds (distance) P-C4' energy: -69.854
flat angles C4'-P-C4' energy: -70.018
flat angles P-C4'-P energy: -51.063
tors. eta vs tors. theta energy: -113.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -1119.558447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.558447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.558447 (E_RNA)
where:
Base-Base interactions energy: -764.645
where: short stacking energy: -333.726
Base-Backbone interact. energy: 1.560
local terms energy: -356.474069
where:
bonds (distance) C4'-P energy: -68.016
bonds (distance) P-C4' energy: -68.953
flat angles C4'-P-C4' energy: -77.925
flat angles P-C4'-P energy: -47.123
tors. eta vs tors. theta energy: -94.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -1100.226431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.226431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.226431 (E_RNA)
where:
Base-Base interactions energy: -752.063
where: short stacking energy: -335.108
Base-Backbone interact. energy: -1.167
local terms energy: -346.996226
where:
bonds (distance) C4'-P energy: -60.846
bonds (distance) P-C4' energy: -64.015
flat angles C4'-P-C4' energy: -79.926
flat angles P-C4'-P energy: -48.222
tors. eta vs tors. theta energy: -93.986
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: 4, replica: 10
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -1046.436115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.436115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.436115 (E_RNA)
where:
Base-Base interactions energy: -721.751
where: short stacking energy: -303.681
Base-Backbone interact. energy: -1.841
local terms energy: -322.843590
where:
bonds (distance) C4'-P energy: -43.982
bonds (distance) P-C4' energy: -74.252
flat angles C4'-P-C4' energy: -70.109
flat angles P-C4'-P energy: -43.207
tors. eta vs tors. theta energy: -91.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -976.743075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.743075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.743075 (E_RNA)
where:
Base-Base interactions energy: -672.679
where: short stacking energy: -295.256
Base-Backbone interact. energy: -1.765
local terms energy: -302.298851
where:
bonds (distance) C4'-P energy: -56.012
bonds (distance) P-C4' energy: -55.412
flat angles C4'-P-C4' energy: -66.974
flat angles P-C4'-P energy: -43.144
tors. eta vs tors. theta energy: -80.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -823.102429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.102429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.102429 (E_RNA)
where:
Base-Base interactions energy: -530.309
where: short stacking energy: -251.010
Base-Backbone interact. energy: -1.543
local terms energy: -291.250532
where:
bonds (distance) C4'-P energy: -46.431
bonds (distance) P-C4' energy: -56.436
flat angles C4'-P-C4' energy: -68.099
flat angles P-C4'-P energy: -47.866
tors. eta vs tors. theta energy: -72.420
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: 3
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -797.013519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.013519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.013519 (E_RNA)
where:
Base-Base interactions energy: -522.531
where: short stacking energy: -231.777
Base-Backbone interact. energy: 0.216
local terms energy: -274.697775
where:
bonds (distance) C4'-P energy: -58.670
bonds (distance) P-C4' energy: -56.112
flat angles C4'-P-C4' energy: -60.284
flat angles P-C4'-P energy: -39.697
tors. eta vs tors. theta energy: -59.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -732.991146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.991146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.991146 (E_RNA)
where:
Base-Base interactions energy: -467.328
where: short stacking energy: -220.511
Base-Backbone interact. energy: -1.313
local terms energy: -264.350100
where:
bonds (distance) C4'-P energy: -62.686
bonds (distance) P-C4' energy: -48.861
flat angles C4'-P-C4' energy: -52.558
flat angles P-C4'-P energy: -37.407
tors. eta vs tors. theta energy: -62.838
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: 9, replica: 5
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -587.546264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.546264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.546264 (E_RNA)
where:
Base-Base interactions energy: -369.223
where: short stacking energy: -175.023
Base-Backbone interact. energy: 6.718
local terms energy: -225.041298
where:
bonds (distance) C4'-P energy: -56.066
bonds (distance) P-C4' energy: -54.610
flat angles C4'-P-C4' energy: -58.680
flat angles P-C4'-P energy: -29.528
tors. eta vs tors. theta energy: -26.157
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: 7
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -414.215262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.215262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.215262 (E_RNA)
where:
Base-Base interactions energy: -225.484
where: short stacking energy: -137.210
Base-Backbone interact. energy: -2.373
local terms energy: -186.358441
where:
bonds (distance) C4'-P energy: -49.612
bonds (distance) P-C4' energy: -52.407
flat angles C4'-P-C4' energy: -45.018
flat angles P-C4'-P energy: -25.395
tors. eta vs tors. theta energy: -13.927
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: 1
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -1215.813436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.813436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.813436 (E_RNA)
where:
Base-Base interactions energy: -833.873
where: short stacking energy: -382.560
Base-Backbone interact. energy: -0.063
local terms energy: -381.876840
where:
bonds (distance) C4'-P energy: -70.249
bonds (distance) P-C4' energy: -62.775
flat angles C4'-P-C4' energy: -81.145
flat angles P-C4'-P energy: -50.212
tors. eta vs tors. theta energy: -117.496
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: 2, replica: 8
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -1104.945882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.945882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.945882 (E_RNA)
where:
Base-Base interactions energy: -773.800
where: short stacking energy: -321.057
Base-Backbone interact. energy: -2.092
local terms energy: -329.053410
where:
bonds (distance) C4'-P energy: -59.386
bonds (distance) P-C4' energy: -61.866
flat angles C4'-P-C4' energy: -69.808
flat angles P-C4'-P energy: -48.719
tors. eta vs tors. theta energy: -89.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -1103.358189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.358189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.358189 (E_RNA)
where:
Base-Base interactions energy: -764.905
where: short stacking energy: -327.273
Base-Backbone interact. energy: -0.799
local terms energy: -337.653709
where:
bonds (distance) C4'-P energy: -64.415
bonds (distance) P-C4' energy: -52.557
flat angles C4'-P-C4' energy: -74.943
flat angles P-C4'-P energy: -53.633
tors. eta vs tors. theta energy: -92.105
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: 2
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -1104.336806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.336806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.336806 (E_RNA)
where:
Base-Base interactions energy: -760.332
where: short stacking energy: -338.315
Base-Backbone interact. energy: -1.004
local terms energy: -343.000048
where:
bonds (distance) C4'-P energy: -65.511
bonds (distance) P-C4' energy: -65.187
flat angles C4'-P-C4' energy: -67.920
flat angles P-C4'-P energy: -49.297
tors. eta vs tors. theta energy: -95.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -992.535447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.535447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.535447 (E_RNA)
where:
Base-Base interactions energy: -662.515
where: short stacking energy: -270.327
Base-Backbone interact. energy: -3.227
local terms energy: -326.793352
where:
bonds (distance) C4'-P energy: -53.021
bonds (distance) P-C4' energy: -66.234
flat angles C4'-P-C4' energy: -75.975
flat angles P-C4'-P energy: -54.480
tors. eta vs tors. theta energy: -77.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -838.341497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.341497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.341497 (E_RNA)
where:
Base-Base interactions energy: -559.426
where: short stacking energy: -257.043
Base-Backbone interact. energy: 0.410
local terms energy: -279.325636
where:
bonds (distance) C4'-P energy: -45.678
bonds (distance) P-C4' energy: -52.791
flat angles C4'-P-C4' energy: -66.890
flat angles P-C4'-P energy: -45.046
tors. eta vs tors. theta energy: -68.921
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: 432
Temperature: 1.200000
Total energy: -795.544528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.544528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.544528 (E_RNA)
where:
Base-Base interactions energy: -525.609
where: short stacking energy: -237.534
Base-Backbone interact. energy: -1.279
local terms energy: -268.656695
where:
bonds (distance) C4'-P energy: -60.646
bonds (distance) P-C4' energy: -56.491
flat angles C4'-P-C4' energy: -64.257
flat angles P-C4'-P energy: -31.303
tors. eta vs tors. theta energy: -55.960
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: 432
Temperature: 1.250000
Total energy: -681.175998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.175998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.175998 (E_RNA)
where:
Base-Base interactions energy: -422.659
where: short stacking energy: -188.450
Base-Backbone interact. energy: -1.459
local terms energy: -257.057743
where:
bonds (distance) C4'-P energy: -59.480
bonds (distance) P-C4' energy: -61.149
flat angles C4'-P-C4' energy: -54.759
flat angles P-C4'-P energy: -48.456
tors. eta vs tors. theta energy: -33.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -599.408767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.408767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.408767 (E_RNA)
where:
Base-Base interactions energy: -379.020
where: short stacking energy: -209.169
Base-Backbone interact. energy: 0.286
local terms energy: -220.675012
where:
bonds (distance) C4'-P energy: -43.061
bonds (distance) P-C4' energy: -51.439
flat angles C4'-P-C4' energy: -56.550
flat angles P-C4'-P energy: -28.959
tors. eta vs tors. theta energy: -40.665
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: 7
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -424.980413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.980413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.980413 (E_RNA)
where:
Base-Base interactions energy: -231.813
where: short stacking energy: -131.031
Base-Backbone interact. energy: 0.120
local terms energy: -193.288094
where:
bonds (distance) C4'-P energy: -58.473
bonds (distance) P-C4' energy: -55.866
flat angles C4'-P-C4' energy: -46.671
flat angles P-C4'-P energy: -29.465
tors. eta vs tors. theta energy: -2.813
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: 1
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -1213.261977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.261977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.261977 (E_RNA)
where:
Base-Base interactions energy: -827.105
where: short stacking energy: -380.646
Base-Backbone interact. energy: 0.789
local terms energy: -386.945724
where:
bonds (distance) C4'-P energy: -68.801
bonds (distance) P-C4' energy: -72.542
flat angles C4'-P-C4' energy: -80.575
flat angles P-C4'-P energy: -50.424
tors. eta vs tors. theta energy: -114.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -1137.064097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.064097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.064097 (E_RNA)
where:
Base-Base interactions energy: -780.196
where: short stacking energy: -332.855
Base-Backbone interact. energy: -1.174
local terms energy: -355.694139
where:
bonds (distance) C4'-P energy: -62.596
bonds (distance) P-C4' energy: -65.442
flat angles C4'-P-C4' energy: -73.069
flat angles P-C4'-P energy: -57.449
tors. eta vs tors. theta energy: -97.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -1070.822226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.822226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.822226 (E_RNA)
where:
Base-Base interactions energy: -740.261
where: short stacking energy: -308.817
Base-Backbone interact. energy: -1.951
local terms energy: -328.610656
where:
bonds (distance) C4'-P energy: -61.541
bonds (distance) P-C4' energy: -69.788
flat angles C4'-P-C4' energy: -62.647
flat angles P-C4'-P energy: -50.986
tors. eta vs tors. theta energy: -83.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -1102.335288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.335288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.335288 (E_RNA)
where:
Base-Base interactions energy: -768.961
where: short stacking energy: -329.591
Base-Backbone interact. energy: 0.440
local terms energy: -333.814622
where:
bonds (distance) C4'-P energy: -54.012
bonds (distance) P-C4' energy: -65.655
flat angles C4'-P-C4' energy: -73.274
flat angles P-C4'-P energy: -47.273
tors. eta vs tors. theta energy: -93.602
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: 6
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -1006.747718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.747718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.747718 (E_RNA)
where:
Base-Base interactions energy: -694.515
where: short stacking energy: -296.689
Base-Backbone interact. energy: 0.285
local terms energy: -312.517174
where:
bonds (distance) C4'-P energy: -57.185
bonds (distance) P-C4' energy: -59.197
flat angles C4'-P-C4' energy: -69.366
flat angles P-C4'-P energy: -51.510
tors. eta vs tors. theta energy: -75.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -826.221347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.221347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.221347 (E_RNA)
where:
Base-Base interactions energy: -531.803
where: short stacking energy: -266.052
Base-Backbone interact. energy: -1.630
local terms energy: -292.788824
where:
bonds (distance) C4'-P energy: -59.480
bonds (distance) P-C4' energy: -64.346
flat angles C4'-P-C4' energy: -61.927
flat angles P-C4'-P energy: -40.146
tors. eta vs tors. theta energy: -66.890
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: 7, replica: 3
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -817.442469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.442469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.442469 (E_RNA)
where:
Base-Base interactions energy: -545.958
where: short stacking energy: -244.108
Base-Backbone interact. energy: -1.721
local terms energy: -269.763223
where:
bonds (distance) C4'-P energy: -56.730
bonds (distance) P-C4' energy: -54.566
flat angles C4'-P-C4' energy: -66.847
flat angles P-C4'-P energy: -30.063
tors. eta vs tors. theta energy: -61.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -741.926528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.926528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.926528 (E_RNA)
where:
Base-Base interactions energy: -475.527
where: short stacking energy: -222.188
Base-Backbone interact. energy: -1.136
local terms energy: -265.263066
where:
bonds (distance) C4'-P energy: -61.697
bonds (distance) P-C4' energy: -60.735
flat angles C4'-P-C4' energy: -65.630
flat angles P-C4'-P energy: -32.964
tors. eta vs tors. theta energy: -44.236
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: 9, replica: 5
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -572.933084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.933084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.933084 (E_RNA)
where:
Base-Base interactions energy: -337.842
where: short stacking energy: -172.137
Base-Backbone interact. energy: -3.078
local terms energy: -232.013252
where:
bonds (distance) C4'-P energy: -55.633
bonds (distance) P-C4' energy: -55.074
flat angles C4'-P-C4' energy: -61.107
flat angles P-C4'-P energy: -31.744
tors. eta vs tors. theta energy: -28.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -397.927986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.927986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.927986 (E_RNA)
where:
Base-Base interactions energy: -222.906
where: short stacking energy: -120.893
Base-Backbone interact. energy: 1.675
local terms energy: -176.697488
where:
bonds (distance) C4'-P energy: -51.514
bonds (distance) P-C4' energy: -45.113
flat angles C4'-P-C4' energy: -44.855
flat angles P-C4'-P energy: -22.916
tors. eta vs tors. theta energy: -12.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -1203.369493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.369493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.369493 (E_RNA)
where:
Base-Base interactions energy: -815.595
where: short stacking energy: -362.702
Base-Backbone interact. energy: 0.867
local terms energy: -388.641152
where:
bonds (distance) C4'-P energy: -70.815
bonds (distance) P-C4' energy: -72.065
flat angles C4'-P-C4' energy: -79.128
flat angles P-C4'-P energy: -49.936
tors. eta vs tors. theta energy: -116.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -1117.771646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.771646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.771646 (E_RNA)
where:
Base-Base interactions energy: -760.351
where: short stacking energy: -337.273
Base-Backbone interact. energy: -1.235
local terms energy: -356.186326
where:
bonds (distance) C4'-P energy: -67.506
bonds (distance) P-C4' energy: -66.797
flat angles C4'-P-C4' energy: -76.054
flat angles P-C4'-P energy: -46.139
tors. eta vs tors. theta energy: -99.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -1103.236383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.236383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.236383 (E_RNA)
where:
Base-Base interactions energy: -770.239
where: short stacking energy: -342.834
Base-Backbone interact. energy: -1.041
local terms energy: -331.955905
where:
bonds (distance) C4'-P energy: -58.271
bonds (distance) P-C4' energy: -64.358
flat angles C4'-P-C4' energy: -74.425
flat angles P-C4'-P energy: -45.926
tors. eta vs tors. theta energy: -88.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -1023.857943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.857943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.857943 (E_RNA)
where:
Base-Base interactions energy: -721.079
where: short stacking energy: -282.946
Base-Backbone interact. energy: -1.382
local terms energy: -301.397029
where:
bonds (distance) C4'-P energy: -60.260
bonds (distance) P-C4' energy: -48.841
flat angles C4'-P-C4' energy: -72.785
flat angles P-C4'-P energy: -42.363
tors. eta vs tors. theta energy: -77.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -1015.231313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.231313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.231313 (E_RNA)
where:
Base-Base interactions energy: -693.220
where: short stacking energy: -314.537
Base-Backbone interact. energy: 1.822
local terms energy: -323.833251
where:
bonds (distance) C4'-P energy: -63.435
bonds (distance) P-C4' energy: -56.910
flat angles C4'-P-C4' energy: -73.469
flat angles P-C4'-P energy: -46.619
tors. eta vs tors. theta energy: -83.400
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: 4
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -859.013114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.013114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.013114 (E_RNA)
where:
Base-Base interactions energy: -561.833
where: short stacking energy: -264.916
Base-Backbone interact. energy: -3.144
local terms energy: -294.035362
where:
bonds (distance) C4'-P energy: -54.591
bonds (distance) P-C4' energy: -63.499
flat angles C4'-P-C4' energy: -60.129
flat angles P-C4'-P energy: -45.874
tors. eta vs tors. theta energy: -69.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -823.176193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.176193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.176193 (E_RNA)
where:
Base-Base interactions energy: -533.807
where: short stacking energy: -223.657
Base-Backbone interact. energy: -0.741
local terms energy: -288.628186
where:
bonds (distance) C4'-P energy: -64.089
bonds (distance) P-C4' energy: -67.417
flat angles C4'-P-C4' energy: -65.797
flat angles P-C4'-P energy: -31.721
tors. eta vs tors. theta energy: -59.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -753.974030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.974030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.974030 (E_RNA)
where:
Base-Base interactions energy: -501.964
where: short stacking energy: -210.473
Base-Backbone interact. energy: 0.509
local terms energy: -252.519056
where:
bonds (distance) C4'-P energy: -50.629
bonds (distance) P-C4' energy: -58.581
flat angles C4'-P-C4' energy: -49.074
flat angles P-C4'-P energy: -44.877
tors. eta vs tors. theta energy: -49.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -613.135839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.135839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.135839 (E_RNA)
where:
Base-Base interactions energy: -385.613
where: short stacking energy: -177.820
Base-Backbone interact. energy: 5.366
local terms energy: -232.888728
where:
bonds (distance) C4'-P energy: -58.242
bonds (distance) P-C4' energy: -52.448
flat angles C4'-P-C4' energy: -52.428
flat angles P-C4'-P energy: -36.149
tors. eta vs tors. theta energy: -33.621
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: 7
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -412.550402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.550402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.550402 (E_RNA)
where:
Base-Base interactions energy: -217.062
where: short stacking energy: -125.253
Base-Backbone interact. energy: 0.958
local terms energy: -196.446595
where:
bonds (distance) C4'-P energy: -50.259
bonds (distance) P-C4' energy: -55.759
flat angles C4'-P-C4' energy: -53.924
flat angles P-C4'-P energy: -28.763
tors. eta vs tors. theta energy: -7.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -1204.890713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.890713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.890713 (E_RNA)
where:
Base-Base interactions energy: -830.580
where: short stacking energy: -357.666
Base-Backbone interact. energy: -0.142
local terms energy: -374.169015
where:
bonds (distance) C4'-P energy: -68.766
bonds (distance) P-C4' energy: -62.916
flat angles C4'-P-C4' energy: -75.232
flat angles P-C4'-P energy: -52.122
tors. eta vs tors. theta energy: -115.133
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: 2
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -1131.992655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.992655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.992655 (E_RNA)
where:
Base-Base interactions energy: -789.955
where: short stacking energy: -335.771
Base-Backbone interact. energy: -1.468
local terms energy: -340.569339
where:
bonds (distance) C4'-P energy: -67.379
bonds (distance) P-C4' energy: -55.035
flat angles C4'-P-C4' energy: -72.567
flat angles P-C4'-P energy: -51.671
tors. eta vs tors. theta energy: -93.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -1099.302067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.302067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.302067 (E_RNA)
where:
Base-Base interactions energy: -760.841
where: short stacking energy: -327.052
Base-Backbone interact. energy: -1.841
local terms energy: -336.619639
where:
bonds (distance) C4'-P energy: -54.727
bonds (distance) P-C4' energy: -63.356
flat angles C4'-P-C4' energy: -74.524
flat angles P-C4'-P energy: -49.095
tors. eta vs tors. theta energy: -94.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -1017.495298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.495298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.495298 (E_RNA)
where:
Base-Base interactions energy: -704.287
where: short stacking energy: -312.308
Base-Backbone interact. energy: -0.529
local terms energy: -312.679396
where:
bonds (distance) C4'-P energy: -48.421
bonds (distance) P-C4' energy: -56.843
flat angles C4'-P-C4' energy: -72.457
flat angles P-C4'-P energy: -42.831
tors. eta vs tors. theta energy: -92.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -1022.118503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.118503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.118503 (E_RNA)
where:
Base-Base interactions energy: -702.447
where: short stacking energy: -306.252
Base-Backbone interact. energy: -0.051
local terms energy: -319.621432
where:
bonds (distance) C4'-P energy: -62.882
bonds (distance) P-C4' energy: -64.810
flat angles C4'-P-C4' energy: -61.359
flat angles P-C4'-P energy: -45.947
tors. eta vs tors. theta energy: -84.623
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: 4
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -863.807055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.807055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.807055 (E_RNA)
where:
Base-Base interactions energy: -568.210
where: short stacking energy: -260.609
Base-Backbone interact. energy: -0.164
local terms energy: -295.433351
where:
bonds (distance) C4'-P energy: -54.539
bonds (distance) P-C4' energy: -59.383
flat angles C4'-P-C4' energy: -74.182
flat angles P-C4'-P energy: -38.563
tors. eta vs tors. theta energy: -68.766
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: 7, replica: 3
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -814.567625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.567625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.567625 (E_RNA)
where:
Base-Base interactions energy: -562.085
where: short stacking energy: -255.289
Base-Backbone interact. energy: 2.087
local terms energy: -254.568905
where:
bonds (distance) C4'-P energy: -41.691
bonds (distance) P-C4' energy: -46.491
flat angles C4'-P-C4' energy: -74.137
flat angles P-C4'-P energy: -29.622
tors. eta vs tors. theta energy: -62.628
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: 9
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -752.289818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.289818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.289818 (E_RNA)
where:
Base-Base interactions energy: -473.302
where: short stacking energy: -218.256
Base-Backbone interact. energy: -0.739
local terms energy: -278.249366
where:
bonds (distance) C4'-P energy: -55.761
bonds (distance) P-C4' energy: -59.187
flat angles C4'-P-C4' energy: -68.721
flat angles P-C4'-P energy: -40.205
tors. eta vs tors. theta energy: -54.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -626.111437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.111437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.111437 (E_RNA)
where:
Base-Base interactions energy: -387.416
where: short stacking energy: -186.714
Base-Backbone interact. energy: -1.466
local terms energy: -237.229597
where:
bonds (distance) C4'-P energy: -61.858
bonds (distance) P-C4' energy: -56.397
flat angles C4'-P-C4' energy: -47.480
flat angles P-C4'-P energy: -37.478
tors. eta vs tors. theta energy: -34.017
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: 7
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -419.106688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.106688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.106688 (E_RNA)
where:
Base-Base interactions energy: -221.060
where: short stacking energy: -118.882
Base-Backbone interact. energy: -2.336
local terms energy: -195.710942
where:
bonds (distance) C4'-P energy: -45.843
bonds (distance) P-C4' energy: -50.553
flat angles C4'-P-C4' energy: -50.226
flat angles P-C4'-P energy: -40.162
tors. eta vs tors. theta energy: -8.927
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: 1
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -1218.344427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.344427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.344427 (E_RNA)
where:
Base-Base interactions energy: -836.105
where: short stacking energy: -370.610
Base-Backbone interact. energy: -0.056
local terms energy: -382.183681
where:
bonds (distance) C4'-P energy: -64.535
bonds (distance) P-C4' energy: -67.069
flat angles C4'-P-C4' energy: -76.541
flat angles P-C4'-P energy: -57.349
tors. eta vs tors. theta energy: -116.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -1139.577608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.577608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.577608 (E_RNA)
where:
Base-Base interactions energy: -789.029
where: short stacking energy: -335.859
Base-Backbone interact. energy: -0.642
local terms energy: -349.906509
where:
bonds (distance) C4'-P energy: -58.176
bonds (distance) P-C4' energy: -62.036
flat angles C4'-P-C4' energy: -80.088
flat angles P-C4'-P energy: -51.157
tors. eta vs tors. theta energy: -98.450
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: 10
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -1091.502485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.502485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.502485 (E_RNA)
where:
Base-Base interactions energy: -760.745
where: short stacking energy: -329.904
Base-Backbone interact. energy: 0.791
local terms energy: -331.548613
where:
bonds (distance) C4'-P energy: -69.875
bonds (distance) P-C4' energy: -65.346
flat angles C4'-P-C4' energy: -63.108
flat angles P-C4'-P energy: -39.771
tors. eta vs tors. theta energy: -93.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -1033.269036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.269036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.269036 (E_RNA)
where:
Base-Base interactions energy: -705.294
where: short stacking energy: -323.973
Base-Backbone interact. energy: -0.016
local terms energy: -327.959120
where:
bonds (distance) C4'-P energy: -53.649
bonds (distance) P-C4' energy: -64.709
flat angles C4'-P-C4' energy: -67.662
flat angles P-C4'-P energy: -46.059
tors. eta vs tors. theta energy: -95.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -996.683729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.683729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.683729 (E_RNA)
where:
Base-Base interactions energy: -680.519
where: short stacking energy: -277.252
Base-Backbone interact. energy: 0.954
local terms energy: -317.118601
where:
bonds (distance) C4'-P energy: -60.899
bonds (distance) P-C4' energy: -54.154
flat angles C4'-P-C4' energy: -70.411
flat angles P-C4'-P energy: -48.668
tors. eta vs tors. theta energy: -82.986
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: 6, replica: 4
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -872.935549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.935549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.935549 (E_RNA)
where:
Base-Base interactions energy: -564.229
where: short stacking energy: -252.150
Base-Backbone interact. energy: 0.242
local terms energy: -308.948446
where:
bonds (distance) C4'-P energy: -56.793
bonds (distance) P-C4' energy: -60.326
flat angles C4'-P-C4' energy: -70.160
flat angles P-C4'-P energy: -51.138
tors. eta vs tors. theta energy: -70.532
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: 436
Temperature: 1.200000
Total energy: -807.404312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.404312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.404312 (E_RNA)
where:
Base-Base interactions energy: -542.236
where: short stacking energy: -237.380
Base-Backbone interact. energy: -1.133
local terms energy: -264.035559
where:
bonds (distance) C4'-P energy: -60.010
bonds (distance) P-C4' energy: -54.454
flat angles C4'-P-C4' energy: -60.885
flat angles P-C4'-P energy: -41.376
tors. eta vs tors. theta energy: -47.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -730.541440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.541440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.541440 (E_RNA)
where:
Base-Base interactions energy: -470.303
where: short stacking energy: -208.458
Base-Backbone interact. energy: -0.774
local terms energy: -259.464664
where:
bonds (distance) C4'-P energy: -62.118
bonds (distance) P-C4' energy: -52.940
flat angles C4'-P-C4' energy: -59.086
flat angles P-C4'-P energy: -45.507
tors. eta vs tors. theta energy: -39.814
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: 5
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -578.395580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.395580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.395580 (E_RNA)
where:
Base-Base interactions energy: -354.746
where: short stacking energy: -170.770
Base-Backbone interact. energy: -0.898
local terms energy: -222.751215
where:
bonds (distance) C4'-P energy: -47.314
bonds (distance) P-C4' energy: -64.390
flat angles C4'-P-C4' energy: -34.583
flat angles P-C4'-P energy: -38.733
tors. eta vs tors. theta energy: -37.731
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: 7
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -416.188551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.188551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.188551 (E_RNA)
where:
Base-Base interactions energy: -218.932
where: short stacking energy: -116.769
Base-Backbone interact. energy: 0.999
local terms energy: -198.255379
where:
bonds (distance) C4'-P energy: -54.059
bonds (distance) P-C4' energy: -51.642
flat angles C4'-P-C4' energy: -46.021
flat angles P-C4'-P energy: -35.650
tors. eta vs tors. theta energy: -10.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -1216.827786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.827786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.827786 (E_RNA)
where:
Base-Base interactions energy: -851.400
where: short stacking energy: -377.881
Base-Backbone interact. energy: -0.034
local terms energy: -365.394213
where:
bonds (distance) C4'-P energy: -55.737
bonds (distance) P-C4' energy: -64.712
flat angles C4'-P-C4' energy: -72.876
flat angles P-C4'-P energy: -48.274
tors. eta vs tors. theta energy: -123.795
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: 2
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -1138.531842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.531842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.531842 (E_RNA)
where:
Base-Base interactions energy: -780.938
where: short stacking energy: -342.591
Base-Backbone interact. energy: -1.790
local terms energy: -355.803797
where:
bonds (distance) C4'-P energy: -65.777
bonds (distance) P-C4' energy: -67.414
flat angles C4'-P-C4' energy: -72.504
flat angles P-C4'-P energy: -54.055
tors. eta vs tors. theta energy: -96.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -1075.690980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.690980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.690980 (E_RNA)
where:
Base-Base interactions energy: -733.618
where: short stacking energy: -308.075
Base-Backbone interact. energy: 0.814
local terms energy: -342.886479
where:
bonds (distance) C4'-P energy: -64.938
bonds (distance) P-C4' energy: -67.426
flat angles C4'-P-C4' energy: -68.753
flat angles P-C4'-P energy: -51.403
tors. eta vs tors. theta energy: -90.367
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: 4, replica: 8
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -1056.579057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.579057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.579057 (E_RNA)
where:
Base-Base interactions energy: -749.369
where: short stacking energy: -325.017
Base-Backbone interact. energy: -1.382
local terms energy: -305.827522
where:
bonds (distance) C4'-P energy: -53.163
bonds (distance) P-C4' energy: -48.565
flat angles C4'-P-C4' energy: -70.564
flat angles P-C4'-P energy: -44.253
tors. eta vs tors. theta energy: -89.282
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: 6
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -978.037683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.037683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.037683 (E_RNA)
where:
Base-Base interactions energy: -676.098
where: short stacking energy: -309.081
Base-Backbone interact. energy: -0.096
local terms energy: -301.843043
where:
bonds (distance) C4'-P energy: -49.077
bonds (distance) P-C4' energy: -59.933
flat angles C4'-P-C4' energy: -72.332
flat angles P-C4'-P energy: -40.993
tors. eta vs tors. theta energy: -79.508
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: 3
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -834.854144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.854144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.854144 (E_RNA)
where:
Base-Base interactions energy: -550.210
where: short stacking energy: -253.731
Base-Backbone interact. energy: -1.034
local terms energy: -283.610197
where:
bonds (distance) C4'-P energy: -59.496
bonds (distance) P-C4' energy: -59.308
flat angles C4'-P-C4' energy: -64.611
flat angles P-C4'-P energy: -36.211
tors. eta vs tors. theta energy: -63.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -857.730822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.730822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.730822 (E_RNA)
where:
Base-Base interactions energy: -592.052
where: short stacking energy: -260.451
Base-Backbone interact. energy: -0.260
local terms energy: -265.418774
where:
bonds (distance) C4'-P energy: -57.375
bonds (distance) P-C4' energy: -57.285
flat angles C4'-P-C4' energy: -59.564
flat angles P-C4'-P energy: -26.654
tors. eta vs tors. theta energy: -64.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -715.061854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.061854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.061854 (E_RNA)
where:
Base-Base interactions energy: -479.707
where: short stacking energy: -192.121
Base-Backbone interact. energy: 3.481
local terms energy: -238.835851
where:
bonds (distance) C4'-P energy: -65.767
bonds (distance) P-C4' energy: -51.926
flat angles C4'-P-C4' energy: -58.453
flat angles P-C4'-P energy: -27.857
tors. eta vs tors. theta energy: -34.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -552.115874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.115874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.115874 (E_RNA)
where:
Base-Base interactions energy: -339.375
where: short stacking energy: -165.840
Base-Backbone interact. energy: -2.411
local terms energy: -210.329980
where:
bonds (distance) C4'-P energy: -53.028
bonds (distance) P-C4' energy: -55.385
flat angles C4'-P-C4' energy: -49.634
flat angles P-C4'-P energy: -22.882
tors. eta vs tors. theta energy: -29.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -452.030703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.030703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.030703 (E_RNA)
where:
Base-Base interactions energy: -264.833
where: short stacking energy: -137.692
Base-Backbone interact. energy: 0.315
local terms energy: -187.512330
where:
bonds (distance) C4'-P energy: -58.486
bonds (distance) P-C4' energy: -39.586
flat angles C4'-P-C4' energy: -46.501
flat angles P-C4'-P energy: -31.275
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: 1, replica: 1
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -1196.963421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.963421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.963421 (E_RNA)
where:
Base-Base interactions energy: -815.693
where: short stacking energy: -367.798
Base-Backbone interact. energy: -0.817
local terms energy: -380.453563
where:
bonds (distance) C4'-P energy: -75.512
bonds (distance) P-C4' energy: -66.025
flat angles C4'-P-C4' energy: -77.220
flat angles P-C4'-P energy: -45.091
tors. eta vs tors. theta energy: -116.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -1133.206792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.206792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.206792 (E_RNA)
where:
Base-Base interactions energy: -796.152
where: short stacking energy: -337.653
Base-Backbone interact. energy: -0.887
local terms energy: -336.167512
where:
bonds (distance) C4'-P energy: -58.222
bonds (distance) P-C4' energy: -58.091
flat angles C4'-P-C4' energy: -69.641
flat angles P-C4'-P energy: -50.301
tors. eta vs tors. theta energy: -99.913
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: 8
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -1090.537437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.537437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.537437 (E_RNA)
where:
Base-Base interactions energy: -764.670
where: short stacking energy: -329.256
Base-Backbone interact. energy: -1.859
local terms energy: -324.008421
where:
bonds (distance) C4'-P energy: -60.892
bonds (distance) P-C4' energy: -65.472
flat angles C4'-P-C4' energy: -61.148
flat angles P-C4'-P energy: -44.240
tors. eta vs tors. theta energy: -92.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -1073.561326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.561326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.561326 (E_RNA)
where:
Base-Base interactions energy: -740.114
where: short stacking energy: -317.995
Base-Backbone interact. energy: -2.997
local terms energy: -330.450217
where:
bonds (distance) C4'-P energy: -61.955
bonds (distance) P-C4' energy: -61.120
flat angles C4'-P-C4' energy: -71.336
flat angles P-C4'-P energy: -48.104
tors. eta vs tors. theta energy: -87.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -1000.839180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.839180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.839180 (E_RNA)
where:
Base-Base interactions energy: -687.655
where: short stacking energy: -297.450
Base-Backbone interact. energy: -2.169
local terms energy: -311.015069
where:
bonds (distance) C4'-P energy: -55.564
bonds (distance) P-C4' energy: -48.501
flat angles C4'-P-C4' energy: -78.002
flat angles P-C4'-P energy: -50.149
tors. eta vs tors. theta energy: -78.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -883.691346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.691346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.691346 (E_RNA)
where:
Base-Base interactions energy: -590.610
where: short stacking energy: -268.071
Base-Backbone interact. energy: -0.851
local terms energy: -292.229848
where:
bonds (distance) C4'-P energy: -49.322
bonds (distance) P-C4' energy: -58.575
flat angles C4'-P-C4' energy: -62.664
flat angles P-C4'-P energy: -44.959
tors. eta vs tors. theta energy: -76.710
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: 7, replica: 4
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -902.761143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.761143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.761143 (E_RNA)
where:
Base-Base interactions energy: -617.282
where: short stacking energy: -258.830
Base-Backbone interact. energy: 1.287
local terms energy: -286.766819
where:
bonds (distance) C4'-P energy: -63.910
bonds (distance) P-C4' energy: -51.052
flat angles C4'-P-C4' energy: -63.802
flat angles P-C4'-P energy: -44.158
tors. eta vs tors. theta energy: -63.846
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: 8, replica: 9
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -718.124290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.124290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.124290 (E_RNA)
where:
Base-Base interactions energy: -472.937
where: short stacking energy: -205.420
Base-Backbone interact. energy: -0.092
local terms energy: -245.094971
where:
bonds (distance) C4'-P energy: -50.293
bonds (distance) P-C4' energy: -55.154
flat angles C4'-P-C4' energy: -64.280
flat angles P-C4'-P energy: -33.743
tors. eta vs tors. theta energy: -41.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -525.033997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.033997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.033997 (E_RNA)
where:
Base-Base interactions energy: -287.529
where: short stacking energy: -159.310
Base-Backbone interact. energy: -0.384
local terms energy: -237.121029
where:
bonds (distance) C4'-P energy: -59.975
bonds (distance) P-C4' energy: -61.922
flat angles C4'-P-C4' energy: -69.199
flat angles P-C4'-P energy: -27.164
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: 10, replica: 7
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -416.179289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.179289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.179289 (E_RNA)
where:
Base-Base interactions energy: -225.680
where: short stacking energy: -117.072
Base-Backbone interact. energy: -1.480
local terms energy: -189.019601
where:
bonds (distance) C4'-P energy: -50.441
bonds (distance) P-C4' energy: -48.438
flat angles C4'-P-C4' energy: -58.286
flat angles P-C4'-P energy: -31.305
tors. eta vs tors. theta energy: -0.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -1198.044355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.044355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.044355 (E_RNA)
where:
Base-Base interactions energy: -823.808
where: short stacking energy: -369.947
Base-Backbone interact. energy: -0.634
local terms energy: -373.603248
where:
bonds (distance) C4'-P energy: -69.017
bonds (distance) P-C4' energy: -63.253
flat angles C4'-P-C4' energy: -79.536
flat angles P-C4'-P energy: -47.573
tors. eta vs tors. theta energy: -114.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -1116.061260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.061260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.061260 (E_RNA)
where:
Base-Base interactions energy: -776.560
where: short stacking energy: -321.955
Base-Backbone interact. energy: -1.889
local terms energy: -337.612882
where:
bonds (distance) C4'-P energy: -60.129
bonds (distance) P-C4' energy: -69.876
flat angles C4'-P-C4' energy: -76.382
flat angles P-C4'-P energy: -47.449
tors. eta vs tors. theta energy: -83.777
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: 3, replica: 8
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -1066.291580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.291580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.291580 (E_RNA)
where:
Base-Base interactions energy: -735.696
where: short stacking energy: -311.907
Base-Backbone interact. energy: -0.523
local terms energy: -330.072931
where:
bonds (distance) C4'-P energy: -65.171
bonds (distance) P-C4' energy: -67.304
flat angles C4'-P-C4' energy: -64.791
flat angles P-C4'-P energy: -49.221
tors. eta vs tors. theta energy: -83.586
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: 10
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -1078.921428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.921428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.921428 (E_RNA)
where:
Base-Base interactions energy: -752.518
where: short stacking energy: -319.874
Base-Backbone interact. energy: -0.196
local terms energy: -326.207472
where:
bonds (distance) C4'-P energy: -56.309
bonds (distance) P-C4' energy: -58.644
flat angles C4'-P-C4' energy: -74.962
flat angles P-C4'-P energy: -45.756
tors. eta vs tors. theta energy: -90.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -1003.828940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.828940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.828940 (E_RNA)
where:
Base-Base interactions energy: -691.644
where: short stacking energy: -299.846
Base-Backbone interact. energy: -1.548
local terms energy: -310.636767
where:
bonds (distance) C4'-P energy: -53.352
bonds (distance) P-C4' energy: -62.903
flat angles C4'-P-C4' energy: -63.687
flat angles P-C4'-P energy: -51.373
tors. eta vs tors. theta energy: -79.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -881.240905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.240905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.240905 (E_RNA)
where:
Base-Base interactions energy: -578.437
where: short stacking energy: -252.004
Base-Backbone interact. energy: -1.070
local terms energy: -301.733950
where:
bonds (distance) C4'-P energy: -56.005
bonds (distance) P-C4' energy: -62.080
flat angles C4'-P-C4' energy: -70.914
flat angles P-C4'-P energy: -37.705
tors. eta vs tors. theta energy: -75.029
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: 439
Temperature: 1.200000
Total energy: -846.878468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.878468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.878468 (E_RNA)
where:
Base-Base interactions energy: -580.412
where: short stacking energy: -244.862
Base-Backbone interact. energy: -1.779
local terms energy: -264.687992
where:
bonds (distance) C4'-P energy: -35.831
bonds (distance) P-C4' energy: -68.003
flat angles C4'-P-C4' energy: -57.871
flat angles P-C4'-P energy: -34.291
tors. eta vs tors. theta energy: -68.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -745.183672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.183672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.183672 (E_RNA)
where:
Base-Base interactions energy: -484.477
where: short stacking energy: -224.256
Base-Backbone interact. energy: -0.822
local terms energy: -259.884578
where:
bonds (distance) C4'-P energy: -50.666
bonds (distance) P-C4' energy: -57.829
flat angles C4'-P-C4' energy: -48.010
flat angles P-C4'-P energy: -44.507
tors. eta vs tors. theta energy: -58.873
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: 5
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -567.797876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.797876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.797876 (E_RNA)
where:
Base-Base interactions energy: -327.205
where: short stacking energy: -149.293
Base-Backbone interact. energy: 2.883
local terms energy: -243.476407
where:
bonds (distance) C4'-P energy: -50.071
bonds (distance) P-C4' energy: -60.416
flat angles C4'-P-C4' energy: -64.432
flat angles P-C4'-P energy: -41.793
tors. eta vs tors. theta energy: -26.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -370.309881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.309881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.309881 (E_RNA)
where:
Base-Base interactions energy: -187.794
where: short stacking energy: -101.967
Base-Backbone interact. energy: 0.598
local terms energy: -183.114013
where:
bonds (distance) C4'-P energy: -54.950
bonds (distance) P-C4' energy: -67.877
flat angles C4'-P-C4' energy: -44.466
flat angles P-C4'-P energy: -15.375
tors. eta vs tors. theta energy: -0.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -1215.273348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.273348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.273348 (E_RNA)
where:
Base-Base interactions energy: -843.607
where: short stacking energy: -372.721
Base-Backbone interact. energy: 0.577
local terms energy: -372.243038
where:
bonds (distance) C4'-P energy: -60.702
bonds (distance) P-C4' energy: -68.565
flat angles C4'-P-C4' energy: -77.871
flat angles P-C4'-P energy: -53.541
tors. eta vs tors. theta energy: -111.564
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: 2
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -1127.523555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.523555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.523555 (E_RNA)
where:
Base-Base interactions energy: -788.369
where: short stacking energy: -333.565
Base-Backbone interact. energy: -1.215
local terms energy: -337.939215
where:
bonds (distance) C4'-P energy: -63.269
bonds (distance) P-C4' energy: -55.624
flat angles C4'-P-C4' energy: -72.112
flat angles P-C4'-P energy: -49.346
tors. eta vs tors. theta energy: -97.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -1095.898038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.898038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.898038 (E_RNA)
where:
Base-Base interactions energy: -772.540
where: short stacking energy: -327.567
Base-Backbone interact. energy: 0.928
local terms energy: -324.285803
where:
bonds (distance) C4'-P energy: -57.181
bonds (distance) P-C4' energy: -56.688
flat angles C4'-P-C4' energy: -69.057
flat angles P-C4'-P energy: -49.244
tors. eta vs tors. theta energy: -92.116
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: 4, replica: 8
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -1049.090337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.090337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.090337 (E_RNA)
where:
Base-Base interactions energy: -732.672
where: short stacking energy: -307.052
Base-Backbone interact. energy: -1.359
local terms energy: -315.059497
where:
bonds (distance) C4'-P energy: -63.894
bonds (distance) P-C4' energy: -53.200
flat angles C4'-P-C4' energy: -78.439
flat angles P-C4'-P energy: -45.183
tors. eta vs tors. theta energy: -74.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -1004.148149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.148149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.148149 (E_RNA)
where:
Base-Base interactions energy: -686.942
where: short stacking energy: -290.033
Base-Backbone interact. energy: -1.124
local terms energy: -316.081455
where:
bonds (distance) C4'-P energy: -65.015
bonds (distance) P-C4' energy: -58.303
flat angles C4'-P-C4' energy: -68.737
flat angles P-C4'-P energy: -41.153
tors. eta vs tors. theta energy: -82.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -879.753026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.753026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.753026 (E_RNA)
where:
Base-Base interactions energy: -585.708
where: short stacking energy: -262.868
Base-Backbone interact. energy: 0.446
local terms energy: -294.490376
where:
bonds (distance) C4'-P energy: -57.254
bonds (distance) P-C4' energy: -60.116
flat angles C4'-P-C4' energy: -62.198
flat angles P-C4'-P energy: -44.945
tors. eta vs tors. theta energy: -69.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -872.322516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.322516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.322516 (E_RNA)
where:
Base-Base interactions energy: -575.660
where: short stacking energy: -247.855
Base-Backbone interact. energy: -0.889
local terms energy: -295.774353
where:
bonds (distance) C4'-P energy: -67.405
bonds (distance) P-C4' energy: -59.903
flat angles C4'-P-C4' energy: -60.900
flat angles P-C4'-P energy: -34.160
tors. eta vs tors. theta energy: -73.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -761.963625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.963625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.963625 (E_RNA)
where:
Base-Base interactions energy: -492.836
where: short stacking energy: -232.102
Base-Backbone interact. energy: -0.059
local terms energy: -269.068694
where:
bonds (distance) C4'-P energy: -56.429
bonds (distance) P-C4' energy: -53.446
flat angles C4'-P-C4' energy: -61.326
flat angles P-C4'-P energy: -39.039
tors. eta vs tors. theta energy: -58.827
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: 9, replica: 5
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -608.648013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.648013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.648013 (E_RNA)
where:
Base-Base interactions energy: -369.463
where: short stacking energy: -167.065
Base-Backbone interact. energy: -1.064
local terms energy: -238.120724
where:
bonds (distance) C4'-P energy: -53.003
bonds (distance) P-C4' energy: -47.456
flat angles C4'-P-C4' energy: -62.863
flat angles P-C4'-P energy: -49.576
tors. eta vs tors. theta energy: -25.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -368.998947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.998947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.998947 (E_RNA)
where:
Base-Base interactions energy: -205.372
where: short stacking energy: -122.154
Base-Backbone interact. energy: 1.454
local terms energy: -165.080771
where:
bonds (distance) C4'-P energy: -48.542
bonds (distance) P-C4' energy: -54.433
flat angles C4'-P-C4' energy: -33.910
flat angles P-C4'-P energy: -22.859
tors. eta vs tors. theta energy: -5.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -1217.377633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.377633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.377633 (E_RNA)
where:
Base-Base interactions energy: -844.434
where: short stacking energy: -367.650
Base-Backbone interact. energy: -0.552
local terms energy: -372.392228
where:
bonds (distance) C4'-P energy: -70.238
bonds (distance) P-C4' energy: -61.464
flat angles C4'-P-C4' energy: -79.943
flat angles P-C4'-P energy: -51.922
tors. eta vs tors. theta energy: -108.825
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: 441
Temperature: 0.950000
Total energy: -1163.354068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.354068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.354068 (E_RNA)
where:
Base-Base interactions energy: -813.489
where: short stacking energy: -355.690
Base-Backbone interact. energy: -1.419
local terms energy: -348.445519
where:
bonds (distance) C4'-P energy: -70.039
bonds (distance) P-C4' energy: -63.113
flat angles C4'-P-C4' energy: -68.005
flat angles P-C4'-P energy: -50.558
tors. eta vs tors. theta energy: -96.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -1054.347576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.347576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.347576 (E_RNA)
where:
Base-Base interactions energy: -725.389
where: short stacking energy: -303.630
Base-Backbone interact. energy: -0.958
local terms energy: -328.000414
where:
bonds (distance) C4'-P energy: -65.904
bonds (distance) P-C4' energy: -63.642
flat angles C4'-P-C4' energy: -64.496
flat angles P-C4'-P energy: -43.840
tors. eta vs tors. theta energy: -90.119
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: 8
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -1047.788535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.788535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.788535 (E_RNA)
where:
Base-Base interactions energy: -731.077
where: short stacking energy: -315.202
Base-Backbone interact. energy: 2.593
local terms energy: -319.305031
where:
bonds (distance) C4'-P energy: -65.590
bonds (distance) P-C4' energy: -61.504
flat angles C4'-P-C4' energy: -68.380
flat angles P-C4'-P energy: -36.292
tors. eta vs tors. theta energy: -87.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -1014.039287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.039287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.039287 (E_RNA)
where:
Base-Base interactions energy: -717.981
where: short stacking energy: -300.448
Base-Backbone interact. energy: -2.598
local terms energy: -293.460218
where:
bonds (distance) C4'-P energy: -47.912
bonds (distance) P-C4' energy: -55.984
flat angles C4'-P-C4' energy: -65.730
flat angles P-C4'-P energy: -37.852
tors. eta vs tors. theta energy: -85.982
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: 3
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -881.632886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.632886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.632886 (E_RNA)
where:
Base-Base interactions energy: -570.318
where: short stacking energy: -262.551
Base-Backbone interact. energy: 0.762
local terms energy: -312.076987
where:
bonds (distance) C4'-P energy: -69.543
bonds (distance) P-C4' energy: -61.456
flat angles C4'-P-C4' energy: -69.439
flat angles P-C4'-P energy: -38.194
tors. eta vs tors. theta energy: -73.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -846.359761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.359761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.359761 (E_RNA)
where:
Base-Base interactions energy: -589.570
where: short stacking energy: -253.007
Base-Backbone interact. energy: 0.203
local terms energy: -256.992641
where:
bonds (distance) C4'-P energy: -43.447
bonds (distance) P-C4' energy: -56.980
flat angles C4'-P-C4' energy: -58.497
flat angles P-C4'-P energy: -34.738
tors. eta vs tors. theta energy: -63.330
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: 9
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -766.341951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.341951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.341951 (E_RNA)
where:
Base-Base interactions energy: -513.406
where: short stacking energy: -218.795
Base-Backbone interact. energy: -1.215
local terms energy: -251.720690
where:
bonds (distance) C4'-P energy: -52.739
bonds (distance) P-C4' energy: -56.230
flat angles C4'-P-C4' energy: -52.385
flat angles P-C4'-P energy: -30.694
tors. eta vs tors. theta energy: -59.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -583.141273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.141273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.141273 (E_RNA)
where:
Base-Base interactions energy: -373.141
where: short stacking energy: -174.105
Base-Backbone interact. energy: 0.345
local terms energy: -210.345624
where:
bonds (distance) C4'-P energy: -55.782
bonds (distance) P-C4' energy: -52.758
flat angles C4'-P-C4' energy: -44.724
flat angles P-C4'-P energy: -37.173
tors. eta vs tors. theta energy: -19.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -287.283505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.283505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.283505 (E_RNA)
where:
Base-Base interactions energy: -87.691
where: short stacking energy: -80.180
Base-Backbone interact. energy: 4.015
local terms energy: -203.608143
where:
bonds (distance) C4'-P energy: -59.774
bonds (distance) P-C4' energy: -50.714
flat angles C4'-P-C4' energy: -58.265
flat angles P-C4'-P energy: -27.977
tors. eta vs tors. theta energy: -6.878
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: 1
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -1213.234404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.234404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.234404 (E_RNA)
where:
Base-Base interactions energy: -836.637
where: short stacking energy: -381.512
Base-Backbone interact. energy: -0.309
local terms energy: -376.287689
where:
bonds (distance) C4'-P energy: -60.639
bonds (distance) P-C4' energy: -63.997
flat angles C4'-P-C4' energy: -79.627
flat angles P-C4'-P energy: -58.828
tors. eta vs tors. theta energy: -113.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -1144.729483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.729483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.729483 (E_RNA)
where:
Base-Base interactions energy: -810.667
where: short stacking energy: -337.476
Base-Backbone interact. energy: -0.433
local terms energy: -333.629140
where:
bonds (distance) C4'-P energy: -62.631
bonds (distance) P-C4' energy: -59.055
flat angles C4'-P-C4' energy: -65.644
flat angles P-C4'-P energy: -53.315
tors. eta vs tors. theta energy: -92.983
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: 8
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -1100.784761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.784761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.784761 (E_RNA)
where:
Base-Base interactions energy: -782.305
where: short stacking energy: -336.276
Base-Backbone interact. energy: -1.124
local terms energy: -317.355672
where:
bonds (distance) C4'-P energy: -47.890
bonds (distance) P-C4' energy: -65.316
flat angles C4'-P-C4' energy: -65.917
flat angles P-C4'-P energy: -44.240
tors. eta vs tors. theta energy: -93.994
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: 4, replica: 10
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -1039.513809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.513809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.513809 (E_RNA)
where:
Base-Base interactions energy: -714.002
where: short stacking energy: -311.581
Base-Backbone interact. energy: -0.406
local terms energy: -325.106282
where:
bonds (distance) C4'-P energy: -64.739
bonds (distance) P-C4' energy: -61.783
flat angles C4'-P-C4' energy: -67.815
flat angles P-C4'-P energy: -37.505
tors. eta vs tors. theta energy: -93.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -1039.549934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.549934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.549934 (E_RNA)
where:
Base-Base interactions energy: -720.863
where: short stacking energy: -300.048
Base-Backbone interact. energy: -1.919
local terms energy: -316.767966
where:
bonds (distance) C4'-P energy: -64.541
bonds (distance) P-C4' energy: -58.414
flat angles C4'-P-C4' energy: -59.881
flat angles P-C4'-P energy: -42.972
tors. eta vs tors. theta energy: -90.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -877.334895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.334895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.334895 (E_RNA)
where:
Base-Base interactions energy: -592.115
where: short stacking energy: -256.822
Base-Backbone interact. energy: -0.585
local terms energy: -284.635461
where:
bonds (distance) C4'-P energy: -62.661
bonds (distance) P-C4' energy: -55.289
flat angles C4'-P-C4' energy: -63.224
flat angles P-C4'-P energy: -34.612
tors. eta vs tors. theta energy: -68.850
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: 4
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -855.962503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.962503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.962503 (E_RNA)
where:
Base-Base interactions energy: -569.954
where: short stacking energy: -251.855
Base-Backbone interact. energy: -1.254
local terms energy: -284.754562
where:
bonds (distance) C4'-P energy: -55.968
bonds (distance) P-C4' energy: -56.523
flat angles C4'-P-C4' energy: -55.037
flat angles P-C4'-P energy: -45.294
tors. eta vs tors. theta energy: -71.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -736.637794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.637794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.637794 (E_RNA)
where:
Base-Base interactions energy: -462.180
where: short stacking energy: -203.534
Base-Backbone interact. energy: -1.290
local terms energy: -273.167794
where:
bonds (distance) C4'-P energy: -58.193
bonds (distance) P-C4' energy: -59.370
flat angles C4'-P-C4' energy: -66.193
flat angles P-C4'-P energy: -44.022
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: 9, replica: 5
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -600.178132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.178132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.178132 (E_RNA)
where:
Base-Base interactions energy: -371.724
where: short stacking energy: -173.568
Base-Backbone interact. energy: -0.839
local terms energy: -227.615237
where:
bonds (distance) C4'-P energy: -59.239
bonds (distance) P-C4' energy: -65.553
flat angles C4'-P-C4' energy: -47.176
flat angles P-C4'-P energy: -27.136
tors. eta vs tors. theta energy: -28.510
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: 7
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -268.413835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.413835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.413835 (E_RNA)
where:
Base-Base interactions energy: -83.742
where: short stacking energy: -79.526
Base-Backbone interact. energy: -0.428
local terms energy: -184.243242
where:
bonds (distance) C4'-P energy: -62.433
bonds (distance) P-C4' energy: -55.125
flat angles C4'-P-C4' energy: -35.245
flat angles P-C4'-P energy: -40.411
tors. eta vs tors. theta energy: 8.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -1188.508680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.508680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.508680 (E_RNA)
where:
Base-Base interactions energy: -816.668
where: short stacking energy: -360.660
Base-Backbone interact. energy: -0.013
local terms energy: -371.827170
where:
bonds (distance) C4'-P energy: -67.437
bonds (distance) P-C4' energy: -66.618
flat angles C4'-P-C4' energy: -75.621
flat angles P-C4'-P energy: -51.089
tors. eta vs tors. theta energy: -111.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -1121.683799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.683799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.683799 (E_RNA)
where:
Base-Base interactions energy: -777.437
where: short stacking energy: -339.877
Base-Backbone interact. energy: -1.018
local terms energy: -343.228689
where:
bonds (distance) C4'-P energy: -59.065
bonds (distance) P-C4' energy: -61.983
flat angles C4'-P-C4' energy: -70.017
flat angles P-C4'-P energy: -57.019
tors. eta vs tors. theta energy: -95.144
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: 8
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -1081.213233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.213233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.213233 (E_RNA)
where:
Base-Base interactions energy: -767.332
where: short stacking energy: -307.669
Base-Backbone interact. energy: -0.710
local terms energy: -313.171760
where:
bonds (distance) C4'-P energy: -51.856
bonds (distance) P-C4' energy: -66.887
flat angles C4'-P-C4' energy: -66.220
flat angles P-C4'-P energy: -40.433
tors. eta vs tors. theta energy: -87.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -1058.246606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.246606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.246606 (E_RNA)
where:
Base-Base interactions energy: -723.510
where: short stacking energy: -295.488
Base-Backbone interact. energy: 1.344
local terms energy: -336.080291
where:
bonds (distance) C4'-P energy: -63.823
bonds (distance) P-C4' energy: -62.517
flat angles C4'-P-C4' energy: -69.961
flat angles P-C4'-P energy: -47.720
tors. eta vs tors. theta energy: -92.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -1026.611604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.611604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.611604 (E_RNA)
where:
Base-Base interactions energy: -695.801
where: short stacking energy: -301.466
Base-Backbone interact. energy: -3.217
local terms energy: -327.593687
where:
bonds (distance) C4'-P energy: -56.424
bonds (distance) P-C4' energy: -58.747
flat angles C4'-P-C4' energy: -69.081
flat angles P-C4'-P energy: -56.854
tors. eta vs tors. theta energy: -86.486
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: 4
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -906.817001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.817001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.817001 (E_RNA)
where:
Base-Base interactions energy: -611.292
where: short stacking energy: -267.938
Base-Backbone interact. energy: -0.477
local terms energy: -295.048856
where:
bonds (distance) C4'-P energy: -66.715
bonds (distance) P-C4' energy: -51.326
flat angles C4'-P-C4' energy: -62.260
flat angles P-C4'-P energy: -41.504
tors. eta vs tors. theta energy: -73.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -843.804973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.804973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.804973 (E_RNA)
where:
Base-Base interactions energy: -580.825
where: short stacking energy: -257.892
Base-Backbone interact. energy: 4.209
local terms energy: -267.188767
where:
bonds (distance) C4'-P energy: -55.156
bonds (distance) P-C4' energy: -54.499
flat angles C4'-P-C4' energy: -57.709
flat angles P-C4'-P energy: -31.652
tors. eta vs tors. theta energy: -68.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -763.354303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.354303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.354303 (E_RNA)
where:
Base-Base interactions energy: -499.166
where: short stacking energy: -226.002
Base-Backbone interact. energy: 1.676
local terms energy: -265.864482
where:
bonds (distance) C4'-P energy: -60.794
bonds (distance) P-C4' energy: -53.598
flat angles C4'-P-C4' energy: -56.316
flat angles P-C4'-P energy: -45.286
tors. eta vs tors. theta energy: -49.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -613.782122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.782122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.782122 (E_RNA)
where:
Base-Base interactions energy: -394.532
where: short stacking energy: -175.343
Base-Backbone interact. energy: -0.633
local terms energy: -218.617409
where:
bonds (distance) C4'-P energy: -56.912
bonds (distance) P-C4' energy: -50.765
flat angles C4'-P-C4' energy: -47.524
flat angles P-C4'-P energy: -41.480
tors. eta vs tors. theta energy: -21.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -319.828870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.828870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.828870 (E_RNA)
where:
Base-Base interactions energy: -135.782
where: short stacking energy: -77.895
Base-Backbone interact. energy: -1.280
local terms energy: -182.766965
where:
bonds (distance) C4'-P energy: -58.557
bonds (distance) P-C4' energy: -61.103
flat angles C4'-P-C4' energy: -47.652
flat angles P-C4'-P energy: -27.400
tors. eta vs tors. theta energy: 11.945
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: 1
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -1196.750537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.750537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.750537 (E_RNA)
where:
Base-Base interactions energy: -814.530
where: short stacking energy: -346.281
Base-Backbone interact. energy: -0.763
local terms energy: -381.457838
where:
bonds (distance) C4'-P energy: -70.475
bonds (distance) P-C4' energy: -67.929
flat angles C4'-P-C4' energy: -79.385
flat angles P-C4'-P energy: -54.981
tors. eta vs tors. theta energy: -108.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -1138.356696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.356696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.356696 (E_RNA)
where:
Base-Base interactions energy: -789.851
where: short stacking energy: -355.697
Base-Backbone interact. energy: -1.959
local terms energy: -346.546251
where:
bonds (distance) C4'-P energy: -57.043
bonds (distance) P-C4' energy: -63.351
flat angles C4'-P-C4' energy: -72.540
flat angles P-C4'-P energy: -52.739
tors. eta vs tors. theta energy: -100.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -1088.377568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.377568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.377568 (E_RNA)
where:
Base-Base interactions energy: -763.308
where: short stacking energy: -318.097
Base-Backbone interact. energy: 0.704
local terms energy: -325.773618
where:
bonds (distance) C4'-P energy: -60.604
bonds (distance) P-C4' energy: -62.279
flat angles C4'-P-C4' energy: -58.162
flat angles P-C4'-P energy: -45.972
tors. eta vs tors. theta energy: -98.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -1064.985964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.985964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.985964 (E_RNA)
where:
Base-Base interactions energy: -749.699
where: short stacking energy: -329.132
Base-Backbone interact. energy: -1.651
local terms energy: -313.635402
where:
bonds (distance) C4'-P energy: -63.342
bonds (distance) P-C4' energy: -50.110
flat angles C4'-P-C4' energy: -60.877
flat angles P-C4'-P energy: -46.058
tors. eta vs tors. theta energy: -93.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -1041.317116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.317116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.317116 (E_RNA)
where:
Base-Base interactions energy: -720.106
where: short stacking energy: -300.281
Base-Backbone interact. energy: -2.209
local terms energy: -319.001806
where:
bonds (distance) C4'-P energy: -46.861
bonds (distance) P-C4' energy: -68.704
flat angles C4'-P-C4' energy: -73.497
flat angles P-C4'-P energy: -42.877
tors. eta vs tors. theta energy: -87.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -903.329444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.329444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.329444 (E_RNA)
where:
Base-Base interactions energy: -611.474
where: short stacking energy: -258.547
Base-Backbone interact. energy: -1.580
local terms energy: -290.274846
where:
bonds (distance) C4'-P energy: -63.870
bonds (distance) P-C4' energy: -68.121
flat angles C4'-P-C4' energy: -56.711
flat angles P-C4'-P energy: -40.260
tors. eta vs tors. theta energy: -61.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -818.489775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.489775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.489775 (E_RNA)
where:
Base-Base interactions energy: -551.440
where: short stacking energy: -255.523
Base-Backbone interact. energy: -0.862
local terms energy: -266.187976
where:
bonds (distance) C4'-P energy: -56.957
bonds (distance) P-C4' energy: -46.079
flat angles C4'-P-C4' energy: -56.202
flat angles P-C4'-P energy: -48.038
tors. eta vs tors. theta energy: -58.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -725.169771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.169771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.169771 (E_RNA)
where:
Base-Base interactions energy: -466.655
where: short stacking energy: -221.461
Base-Backbone interact. energy: -2.161
local terms energy: -256.353342
where:
bonds (distance) C4'-P energy: -40.722
bonds (distance) P-C4' energy: -64.070
flat angles C4'-P-C4' energy: -57.203
flat angles P-C4'-P energy: -42.197
tors. eta vs tors. theta energy: -52.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -590.569253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.569253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.569253 (E_RNA)
where:
Base-Base interactions energy: -370.276
where: short stacking energy: -150.722
Base-Backbone interact. energy: -0.565
local terms energy: -219.728223
where:
bonds (distance) C4'-P energy: -59.683
bonds (distance) P-C4' energy: -56.455
flat angles C4'-P-C4' energy: -55.289
flat angles P-C4'-P energy: -25.838
tors. eta vs tors. theta energy: -22.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -269.058535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.058535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.058535 (E_RNA)
where:
Base-Base interactions energy: -96.003
where: short stacking energy: -83.832
Base-Backbone interact. energy: -0.760
local terms energy: -172.295453
where:
bonds (distance) C4'-P energy: -52.690
bonds (distance) P-C4' energy: -48.326
flat angles C4'-P-C4' energy: -39.669
flat angles P-C4'-P energy: -28.003
tors. eta vs tors. theta energy: -3.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -1191.968344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.968344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.968344 (E_RNA)
where:
Base-Base interactions energy: -810.601
where: short stacking energy: -374.837
Base-Backbone interact. energy: 0.492
local terms energy: -381.860144
where:
bonds (distance) C4'-P energy: -71.267
bonds (distance) P-C4' energy: -61.343
flat angles C4'-P-C4' energy: -80.118
flat angles P-C4'-P energy: -58.407
tors. eta vs tors. theta energy: -110.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -1115.760452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.760452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.760452 (E_RNA)
where:
Base-Base interactions energy: -779.604
where: short stacking energy: -324.844
Base-Backbone interact. energy: -0.403
local terms energy: -335.753749
where:
bonds (distance) C4'-P energy: -61.357
bonds (distance) P-C4' energy: -62.827
flat angles C4'-P-C4' energy: -70.431
flat angles P-C4'-P energy: -45.619
tors. eta vs tors. theta energy: -95.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -1112.900006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.900006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.900006 (E_RNA)
where:
Base-Base interactions energy: -760.800
where: short stacking energy: -320.868
Base-Backbone interact. energy: -2.295
local terms energy: -349.805085
where:
bonds (distance) C4'-P energy: -56.029
bonds (distance) P-C4' energy: -68.422
flat angles C4'-P-C4' energy: -73.463
flat angles P-C4'-P energy: -51.888
tors. eta vs tors. theta energy: -100.004
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: 6
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -1067.613029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.613029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.613029 (E_RNA)
where:
Base-Base interactions energy: -739.790
where: short stacking energy: -321.148
Base-Backbone interact. energy: -0.898
local terms energy: -326.925382
where:
bonds (distance) C4'-P energy: -56.196
bonds (distance) P-C4' energy: -52.400
flat angles C4'-P-C4' energy: -76.018
flat angles P-C4'-P energy: -43.731
tors. eta vs tors. theta energy: -98.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -1030.787104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.787104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.787104 (E_RNA)
where:
Base-Base interactions energy: -692.394
where: short stacking energy: -285.736
Base-Backbone interact. energy: -1.028
local terms energy: -337.365010
where:
bonds (distance) C4'-P energy: -59.450
bonds (distance) P-C4' energy: -62.620
flat angles C4'-P-C4' energy: -66.145
flat angles P-C4'-P energy: -53.108
tors. eta vs tors. theta energy: -96.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -911.304752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.304752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.304752 (E_RNA)
where:
Base-Base interactions energy: -643.090
where: short stacking energy: -275.886
Base-Backbone interact. energy: 2.282
local terms energy: -270.496338
where:
bonds (distance) C4'-P energy: -49.379
bonds (distance) P-C4' energy: -49.710
flat angles C4'-P-C4' energy: -67.342
flat angles P-C4'-P energy: -36.780
tors. eta vs tors. theta energy: -67.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -826.860025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.860025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.860025 (E_RNA)
where:
Base-Base interactions energy: -551.990
where: short stacking energy: -231.882
Base-Backbone interact. energy: -2.424
local terms energy: -272.445776
where:
bonds (distance) C4'-P energy: -47.981
bonds (distance) P-C4' energy: -60.557
flat angles C4'-P-C4' energy: -54.227
flat angles P-C4'-P energy: -47.223
tors. eta vs tors. theta energy: -62.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -787.448471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.448471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.448471 (E_RNA)
where:
Base-Base interactions energy: -516.713
where: short stacking energy: -227.635
Base-Backbone interact. energy: -1.726
local terms energy: -269.009484
where:
bonds (distance) C4'-P energy: -54.014
bonds (distance) P-C4' energy: -57.722
flat angles C4'-P-C4' energy: -67.259
flat angles P-C4'-P energy: -33.039
tors. eta vs tors. theta energy: -56.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -618.565072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.565072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.565072 (E_RNA)
where:
Base-Base interactions energy: -387.683
where: short stacking energy: -173.285
Base-Backbone interact. energy: 3.065
local terms energy: -233.947220
where:
bonds (distance) C4'-P energy: -59.199
bonds (distance) P-C4' energy: -56.266
flat angles C4'-P-C4' energy: -61.234
flat angles P-C4'-P energy: -32.303
tors. eta vs tors. theta energy: -24.944
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: 10, replica: 7
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -289.655730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.655730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.655730 (E_RNA)
where:
Base-Base interactions energy: -98.326
where: short stacking energy: -80.661
Base-Backbone interact. energy: -1.166
local terms energy: -190.163147
where:
bonds (distance) C4'-P energy: -53.559
bonds (distance) P-C4' energy: -63.467
flat angles C4'-P-C4' energy: -44.677
flat angles P-C4'-P energy: -31.860
tors. eta vs tors. theta energy: 3.400
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: 1
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -1203.065399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.065399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.065399 (E_RNA)
where:
Base-Base interactions energy: -833.302
where: short stacking energy: -385.227
Base-Backbone interact. energy: -0.052
local terms energy: -369.711680
where:
bonds (distance) C4'-P energy: -66.970
bonds (distance) P-C4' energy: -69.113
flat angles C4'-P-C4' energy: -67.158
flat angles P-C4'-P energy: -57.096
tors. eta vs tors. theta energy: -109.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -1102.506617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.506617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.506617 (E_RNA)
where:
Base-Base interactions energy: -755.147
where: short stacking energy: -300.661
Base-Backbone interact. energy: -0.468
local terms energy: -346.890664
where:
bonds (distance) C4'-P energy: -58.950
bonds (distance) P-C4' energy: -75.247
flat angles C4'-P-C4' energy: -66.915
flat angles P-C4'-P energy: -60.338
tors. eta vs tors. theta energy: -85.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -1129.940881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.940881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.940881 (E_RNA)
where:
Base-Base interactions energy: -785.482
where: short stacking energy: -339.890
Base-Backbone interact. energy: -2.374
local terms energy: -342.084979
where:
bonds (distance) C4'-P energy: -63.455
bonds (distance) P-C4' energy: -59.685
flat angles C4'-P-C4' energy: -73.595
flat angles P-C4'-P energy: -41.125
tors. eta vs tors. theta energy: -104.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -1033.507285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.507285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.507285 (E_RNA)
where:
Base-Base interactions energy: -720.233
where: short stacking energy: -291.182
Base-Backbone interact. energy: -2.025
local terms energy: -311.249573
where:
bonds (distance) C4'-P energy: -59.015
bonds (distance) P-C4' energy: -62.702
flat angles C4'-P-C4' energy: -59.835
flat angles P-C4'-P energy: -45.177
tors. eta vs tors. theta energy: -84.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -1016.721765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.721765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.721765 (E_RNA)
where:
Base-Base interactions energy: -700.141
where: short stacking energy: -308.778
Base-Backbone interact. energy: -0.673
local terms energy: -315.908047
where:
bonds (distance) C4'-P energy: -51.141
bonds (distance) P-C4' energy: -66.543
flat angles C4'-P-C4' energy: -65.398
flat angles P-C4'-P energy: -45.050
tors. eta vs tors. theta energy: -87.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -894.393322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.393322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.393322 (E_RNA)
where:
Base-Base interactions energy: -588.702
where: short stacking energy: -245.109
Base-Backbone interact. energy: -2.056
local terms energy: -303.635336
where:
bonds (distance) C4'-P energy: -58.863
bonds (distance) P-C4' energy: -74.276
flat angles C4'-P-C4' energy: -59.288
flat angles P-C4'-P energy: -42.105
tors. eta vs tors. theta energy: -69.103
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: 3
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -846.342378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.342378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.342378 (E_RNA)
where:
Base-Base interactions energy: -560.376
where: short stacking energy: -241.111
Base-Backbone interact. energy: -1.804
local terms energy: -284.162352
where:
bonds (distance) C4'-P energy: -57.719
bonds (distance) P-C4' energy: -58.934
flat angles C4'-P-C4' energy: -64.099
flat angles P-C4'-P energy: -47.033
tors. eta vs tors. theta energy: -56.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -769.088591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.088591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.088591 (E_RNA)
where:
Base-Base interactions energy: -500.739
where: short stacking energy: -219.090
Base-Backbone interact. energy: 1.179
local terms energy: -269.528949
where:
bonds (distance) C4'-P energy: -46.375
bonds (distance) P-C4' energy: -62.876
flat angles C4'-P-C4' energy: -67.316
flat angles P-C4'-P energy: -37.828
tors. eta vs tors. theta energy: -55.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -659.504030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.504030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.504030 (E_RNA)
where:
Base-Base interactions energy: -410.638
where: short stacking energy: -184.001
Base-Backbone interact. energy: 1.771
local terms energy: -250.636970
where:
bonds (distance) C4'-P energy: -62.328
bonds (distance) P-C4' energy: -69.475
flat angles C4'-P-C4' energy: -46.041
flat angles P-C4'-P energy: -30.043
tors. eta vs tors. theta energy: -42.750
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: 7
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -290.609368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.609368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.609368 (E_RNA)
where:
Base-Base interactions energy: -134.952
where: short stacking energy: -97.839
Base-Backbone interact. energy: 0.322
local terms energy: -155.979444
where:
bonds (distance) C4'-P energy: -42.624
bonds (distance) P-C4' energy: -61.040
flat angles C4'-P-C4' energy: -39.899
flat angles P-C4'-P energy: -24.711
tors. eta vs tors. theta energy: 12.295
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: 1
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -1199.136849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.136849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.136849 (E_RNA)
where:
Base-Base interactions energy: -837.933
where: short stacking energy: -368.294
Base-Backbone interact. energy: -0.054
local terms energy: -361.149397
where:
bonds (distance) C4'-P energy: -59.600
bonds (distance) P-C4' energy: -66.752
flat angles C4'-P-C4' energy: -69.874
flat angles P-C4'-P energy: -51.540
tors. eta vs tors. theta energy: -113.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -1162.483719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.483719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.483719 (E_RNA)
where:
Base-Base interactions energy: -804.140
where: short stacking energy: -360.058
Base-Backbone interact. energy: -0.811
local terms energy: -357.532232
where:
bonds (distance) C4'-P energy: -53.433
bonds (distance) P-C4' energy: -75.590
flat angles C4'-P-C4' energy: -76.518
flat angles P-C4'-P energy: -48.096
tors. eta vs tors. theta energy: -103.894
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: 3, replica: 8
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -1087.737618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.737618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.737618 (E_RNA)
where:
Base-Base interactions energy: -759.008
where: short stacking energy: -311.464
Base-Backbone interact. energy: -2.629
local terms energy: -326.100751
where:
bonds (distance) C4'-P energy: -61.871
bonds (distance) P-C4' energy: -67.334
flat angles C4'-P-C4' energy: -63.771
flat angles P-C4'-P energy: -45.261
tors. eta vs tors. theta energy: -87.863
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: 4, replica: 10
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -1040.405576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.405576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.405576 (E_RNA)
where:
Base-Base interactions energy: -728.411
where: short stacking energy: -311.556
Base-Backbone interact. energy: -0.783
local terms energy: -311.211268
where:
bonds (distance) C4'-P energy: -59.126
bonds (distance) P-C4' energy: -41.778
flat angles C4'-P-C4' energy: -75.908
flat angles P-C4'-P energy: -47.006
tors. eta vs tors. theta energy: -87.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -996.393418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.393418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.393418 (E_RNA)
where:
Base-Base interactions energy: -668.426
where: short stacking energy: -277.467
Base-Backbone interact. energy: -0.492
local terms energy: -327.474845
where:
bonds (distance) C4'-P energy: -55.506
bonds (distance) P-C4' energy: -54.910
flat angles C4'-P-C4' energy: -75.810
flat angles P-C4'-P energy: -54.044
tors. eta vs tors. theta energy: -87.205
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: 3
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -937.045865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.045865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.045865 (E_RNA)
where:
Base-Base interactions energy: -622.031
where: short stacking energy: -286.996
Base-Backbone interact. energy: -1.399
local terms energy: -313.615276
where:
bonds (distance) C4'-P energy: -61.488
bonds (distance) P-C4' energy: -61.386
flat angles C4'-P-C4' energy: -72.327
flat angles P-C4'-P energy: -37.100
tors. eta vs tors. theta energy: -81.315
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: 4
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -892.778228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.778228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.778228 (E_RNA)
where:
Base-Base interactions energy: -600.063
where: short stacking energy: -240.213
Base-Backbone interact. energy: -1.308
local terms energy: -291.407075
where:
bonds (distance) C4'-P energy: -63.642
bonds (distance) P-C4' energy: -50.225
flat angles C4'-P-C4' energy: -73.678
flat angles P-C4'-P energy: -36.159
tors. eta vs tors. theta energy: -67.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -771.355592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.355592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.355592 (E_RNA)
where:
Base-Base interactions energy: -528.401
where: short stacking energy: -232.549
Base-Backbone interact. energy: 0.466
local terms energy: -243.420305
where:
bonds (distance) C4'-P energy: -44.737
bonds (distance) P-C4' energy: -57.804
flat angles C4'-P-C4' energy: -58.396
flat angles P-C4'-P energy: -24.861
tors. eta vs tors. theta energy: -57.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -636.296686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.296686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.296686 (E_RNA)
where:
Base-Base interactions energy: -419.864
where: short stacking energy: -185.744
Base-Backbone interact. energy: 1.343
local terms energy: -217.776000
where:
bonds (distance) C4'-P energy: -49.637
bonds (distance) P-C4' energy: -55.743
flat angles C4'-P-C4' energy: -60.263
flat angles P-C4'-P energy: -24.262
tors. eta vs tors. theta energy: -27.870
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: 10, replica: 7
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -289.834380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.834380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.834380 (E_RNA)
where:
Base-Base interactions energy: -109.395
where: short stacking energy: -81.273
Base-Backbone interact. energy: 1.757
local terms energy: -182.196362
where:
bonds (distance) C4'-P energy: -59.730
bonds (distance) P-C4' energy: -58.871
flat angles C4'-P-C4' energy: -53.034
flat angles P-C4'-P energy: -28.633
tors. eta vs tors. theta energy: 18.071
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: 1, replica: 1
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -1200.962472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.962472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.962472 (E_RNA)
where:
Base-Base interactions energy: -835.963
where: short stacking energy: -379.679
Base-Backbone interact. energy: 6.959
local terms energy: -371.958679
where:
bonds (distance) C4'-P energy: -71.127
bonds (distance) P-C4' energy: -66.183
flat angles C4'-P-C4' energy: -78.299
flat angles P-C4'-P energy: -48.246
tors. eta vs tors. theta energy: -108.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -1138.273857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.273857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.273857 (E_RNA)
where:
Base-Base interactions energy: -781.465
where: short stacking energy: -347.122
Base-Backbone interact. energy: -1.046
local terms energy: -355.762638
where:
bonds (distance) C4'-P energy: -64.829
bonds (distance) P-C4' energy: -62.734
flat angles C4'-P-C4' energy: -72.549
flat angles P-C4'-P energy: -55.122
tors. eta vs tors. theta energy: -100.528
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: 8
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -1075.280697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.280697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.280697 (E_RNA)
where:
Base-Base interactions energy: -752.045
where: short stacking energy: -302.249
Base-Backbone interact. energy: -0.084
local terms energy: -323.151838
where:
bonds (distance) C4'-P energy: -62.061
bonds (distance) P-C4' energy: -65.408
flat angles C4'-P-C4' energy: -65.842
flat angles P-C4'-P energy: -37.593
tors. eta vs tors. theta energy: -92.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -1031.144595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.144595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.144595 (E_RNA)
where:
Base-Base interactions energy: -726.608
where: short stacking energy: -312.669
Base-Backbone interact. energy: 2.182
local terms energy: -306.718334
where:
bonds (distance) C4'-P energy: -58.063
bonds (distance) P-C4' energy: -58.269
flat angles C4'-P-C4' energy: -66.960
flat angles P-C4'-P energy: -36.139
tors. eta vs tors. theta energy: -87.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -1018.719698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.719698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.719698 (E_RNA)
where:
Base-Base interactions energy: -687.012
where: short stacking energy: -284.414
Base-Backbone interact. energy: -3.783
local terms energy: -327.925322
where:
bonds (distance) C4'-P energy: -66.542
bonds (distance) P-C4' energy: -67.587
flat angles C4'-P-C4' energy: -71.263
flat angles P-C4'-P energy: -44.411
tors. eta vs tors. theta energy: -78.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -880.316700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.316700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.316700 (E_RNA)
where:
Base-Base interactions energy: -583.979
where: short stacking energy: -267.937
Base-Backbone interact. energy: -0.517
local terms energy: -295.820356
where:
bonds (distance) C4'-P energy: -64.202
bonds (distance) P-C4' energy: -60.563
flat angles C4'-P-C4' energy: -63.856
flat angles P-C4'-P energy: -28.479
tors. eta vs tors. theta energy: -78.720
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: 7, replica: 4
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -883.020677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.020677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.020677 (E_RNA)
where:
Base-Base interactions energy: -586.006
where: short stacking energy: -250.487
Base-Backbone interact. energy: -1.010
local terms energy: -296.003977
where:
bonds (distance) C4'-P energy: -68.861
bonds (distance) P-C4' energy: -61.531
flat angles C4'-P-C4' energy: -62.588
flat angles P-C4'-P energy: -35.221
tors. eta vs tors. theta energy: -67.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -779.880207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.880207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.880207 (E_RNA)
where:
Base-Base interactions energy: -501.185
where: short stacking energy: -206.365
Base-Backbone interact. energy: -1.478
local terms energy: -277.216719
where:
bonds (distance) C4'-P energy: -63.702
bonds (distance) P-C4' energy: -62.155
flat angles C4'-P-C4' energy: -69.583
flat angles P-C4'-P energy: -39.633
tors. eta vs tors. theta energy: -42.144
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: 5
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -631.543328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.543328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.543328 (E_RNA)
where:
Base-Base interactions energy: -377.277
where: short stacking energy: -178.359
Base-Backbone interact. energy: 0.020
local terms energy: -254.286117
where:
bonds (distance) C4'-P energy: -50.716
bonds (distance) P-C4' energy: -63.810
flat angles C4'-P-C4' energy: -59.096
flat angles P-C4'-P energy: -35.943
tors. eta vs tors. theta energy: -44.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -302.771006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.771006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.771006 (E_RNA)
where:
Base-Base interactions energy: -130.882
where: short stacking energy: -95.600
Base-Backbone interact. energy: 1.225
local terms energy: -173.114288
where:
bonds (distance) C4'-P energy: -49.864
bonds (distance) P-C4' energy: -53.131
flat angles C4'-P-C4' energy: -51.016
flat angles P-C4'-P energy: -25.237
tors. eta vs tors. theta energy: 6.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -1196.719405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.719405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.719405 (E_RNA)
where:
Base-Base interactions energy: -827.242
where: short stacking energy: -368.607
Base-Backbone interact. energy: -0.156
local terms energy: -369.321128
where:
bonds (distance) C4'-P energy: -64.496
bonds (distance) P-C4' energy: -67.044
flat angles C4'-P-C4' energy: -76.729
flat angles P-C4'-P energy: -47.353
tors. eta vs tors. theta energy: -113.699
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: 449
Temperature: 0.950000
Total energy: -1148.140282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.140282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.140282 (E_RNA)
where:
Base-Base interactions energy: -815.669
where: short stacking energy: -353.158
Base-Backbone interact. energy: -0.695
local terms energy: -331.775897
where:
bonds (distance) C4'-P energy: -60.120
bonds (distance) P-C4' energy: -57.305
flat angles C4'-P-C4' energy: -75.202
flat angles P-C4'-P energy: -41.133
tors. eta vs tors. theta energy: -98.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -1092.317468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.317468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.317468 (E_RNA)
where:
Base-Base interactions energy: -762.754
where: short stacking energy: -337.565
Base-Backbone interact. energy: -1.189
local terms energy: -328.375315
where:
bonds (distance) C4'-P energy: -53.544
bonds (distance) P-C4' energy: -59.855
flat angles C4'-P-C4' energy: -74.046
flat angles P-C4'-P energy: -52.924
tors. eta vs tors. theta energy: -88.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -1028.311243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.311243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.311243 (E_RNA)
where:
Base-Base interactions energy: -710.184
where: short stacking energy: -308.672
Base-Backbone interact. energy: 0.715
local terms energy: -318.843054
where:
bonds (distance) C4'-P energy: -66.343
bonds (distance) P-C4' energy: -53.536
flat angles C4'-P-C4' energy: -61.903
flat angles P-C4'-P energy: -45.652
tors. eta vs tors. theta energy: -91.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -1018.583584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.583584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.583584 (E_RNA)
where:
Base-Base interactions energy: -685.563
where: short stacking energy: -285.830
Base-Backbone interact. energy: -3.148
local terms energy: -329.872170
where:
bonds (distance) C4'-P energy: -59.534
bonds (distance) P-C4' energy: -59.295
flat angles C4'-P-C4' energy: -70.856
flat angles P-C4'-P energy: -50.102
tors. eta vs tors. theta energy: -90.084
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: 449
Temperature: 1.150000
Total energy: -908.856717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.856717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.856717 (E_RNA)
where:
Base-Base interactions energy: -600.276
where: short stacking energy: -289.800
Base-Backbone interact. energy: -1.045
local terms energy: -307.535389
where:
bonds (distance) C4'-P energy: -54.858
bonds (distance) P-C4' energy: -61.550
flat angles C4'-P-C4' energy: -67.673
flat angles P-C4'-P energy: -39.199
tors. eta vs tors. theta energy: -84.256
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: 4
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -885.603798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.603798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.603798 (E_RNA)
where:
Base-Base interactions energy: -580.702
where: short stacking energy: -260.996
Base-Backbone interact. energy: 2.172
local terms energy: -307.073701
where:
bonds (distance) C4'-P energy: -59.283
bonds (distance) P-C4' energy: -64.764
flat angles C4'-P-C4' energy: -71.376
flat angles P-C4'-P energy: -42.049
tors. eta vs tors. theta energy: -69.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -791.251915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.251915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.251915 (E_RNA)
where:
Base-Base interactions energy: -533.578
where: short stacking energy: -235.728
Base-Backbone interact. energy: -0.727
local terms energy: -256.947792
where:
bonds (distance) C4'-P energy: -59.792
bonds (distance) P-C4' energy: -43.733
flat angles C4'-P-C4' energy: -65.811
flat angles P-C4'-P energy: -26.526
tors. eta vs tors. theta energy: -61.087
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: 5
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -606.755565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.755565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.755565 (E_RNA)
where:
Base-Base interactions energy: -386.875
where: short stacking energy: -175.740
Base-Backbone interact. energy: -1.477
local terms energy: -218.403333
where:
bonds (distance) C4'-P energy: -57.916
bonds (distance) P-C4' energy: -44.394
flat angles C4'-P-C4' energy: -57.438
flat angles P-C4'-P energy: -29.330
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: 10, replica: 7
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -288.571242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.571242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.571242 (E_RNA)
where:
Base-Base interactions energy: -120.051
where: short stacking energy: -99.837
Base-Backbone interact. energy: 0.618
local terms energy: -169.137584
where:
bonds (distance) C4'-P energy: -46.048
bonds (distance) P-C4' energy: -52.729
flat angles C4'-P-C4' energy: -32.589
flat angles P-C4'-P energy: -34.095
tors. eta vs tors. theta energy: -3.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -1212.042706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.042706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.042706 (E_RNA)
where:
Base-Base interactions energy: -824.766
where: short stacking energy: -380.035
Base-Backbone interact. energy: -2.422
local terms energy: -384.855522
where:
bonds (distance) C4'-P energy: -74.384
bonds (distance) P-C4' energy: -63.644
flat angles C4'-P-C4' energy: -75.111
flat angles P-C4'-P energy: -59.264
tors. eta vs tors. theta energy: -112.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -1159.420527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.420527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.420527 (E_RNA)
where:
Base-Base interactions energy: -797.847
where: short stacking energy: -335.028
Base-Backbone interact. energy: -1.128
local terms energy: -360.445997
where:
bonds (distance) C4'-P energy: -65.445
bonds (distance) P-C4' energy: -64.856
flat angles C4'-P-C4' energy: -82.849
flat angles P-C4'-P energy: -46.726
tors. eta vs tors. theta energy: -100.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -1068.149526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.149526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.149526 (E_RNA)
where:
Base-Base interactions energy: -760.563
where: short stacking energy: -305.716
Base-Backbone interact. energy: 0.940
local terms energy: -308.526364
where:
bonds (distance) C4'-P energy: -60.549
bonds (distance) P-C4' energy: -68.195
flat angles C4'-P-C4' energy: -64.520
flat angles P-C4'-P energy: -35.626
tors. eta vs tors. theta energy: -79.636
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: 6
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -1057.454923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.454923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.454923 (E_RNA)
where:
Base-Base interactions energy: -718.170
where: short stacking energy: -309.712
Base-Backbone interact. energy: -1.631
local terms energy: -337.653773
where:
bonds (distance) C4'-P energy: -58.480
bonds (distance) P-C4' energy: -66.232
flat angles C4'-P-C4' energy: -73.222
flat angles P-C4'-P energy: -47.043
tors. eta vs tors. theta energy: -92.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -1031.803228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.803228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.803228 (E_RNA)
where:
Base-Base interactions energy: -713.779
where: short stacking energy: -322.105
Base-Backbone interact. energy: -0.093
local terms energy: -317.931258
where:
bonds (distance) C4'-P energy: -56.712
bonds (distance) P-C4' energy: -60.273
flat angles C4'-P-C4' energy: -72.865
flat angles P-C4'-P energy: -40.969
tors. eta vs tors. theta energy: -87.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -894.869806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.869806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.869806 (E_RNA)
where:
Base-Base interactions energy: -598.354
where: short stacking energy: -261.580
Base-Backbone interact. energy: 0.727
local terms energy: -297.242816
where:
bonds (distance) C4'-P energy: -65.160
bonds (distance) P-C4' energy: -44.818
flat angles C4'-P-C4' energy: -70.414
flat angles P-C4'-P energy: -45.840
tors. eta vs tors. theta energy: -71.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -910.836986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.836986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.836986 (E_RNA)
where:
Base-Base interactions energy: -620.115
where: short stacking energy: -274.700
Base-Backbone interact. energy: -0.448
local terms energy: -290.274097
where:
bonds (distance) C4'-P energy: -65.294
bonds (distance) P-C4' energy: -42.462
flat angles C4'-P-C4' energy: -65.129
flat angles P-C4'-P energy: -41.167
tors. eta vs tors. theta energy: -76.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -779.904305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.904305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.904305 (E_RNA)
where:
Base-Base interactions energy: -530.506
where: short stacking energy: -216.836
Base-Backbone interact. energy: -0.836
local terms energy: -248.561810
where:
bonds (distance) C4'-P energy: -44.155
bonds (distance) P-C4' energy: -57.353
flat angles C4'-P-C4' energy: -52.261
flat angles P-C4'-P energy: -32.847
tors. eta vs tors. theta energy: -61.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -619.254606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.254606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.254606 (E_RNA)
where:
Base-Base interactions energy: -390.730
where: short stacking energy: -168.759
Base-Backbone interact. energy: 0.029
local terms energy: -228.553549
where:
bonds (distance) C4'-P energy: -56.680
bonds (distance) P-C4' energy: -57.949
flat angles C4'-P-C4' energy: -55.276
flat angles P-C4'-P energy: -31.785
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: 10, replica: 7
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -280.409313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.409313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.409313 (E_RNA)
where:
Base-Base interactions energy: -115.231
where: short stacking energy: -106.540
Base-Backbone interact. energy: 0.449
local terms energy: -165.627618
where:
bonds (distance) C4'-P energy: -42.136
bonds (distance) P-C4' energy: -52.071
flat angles C4'-P-C4' energy: -41.667
flat angles P-C4'-P energy: -27.867
tors. eta vs tors. theta energy: -1.886
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: 1
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -1183.349198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.349198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.349198 (E_RNA)
where:
Base-Base interactions energy: -812.521
where: short stacking energy: -375.644
Base-Backbone interact. energy: -0.648
local terms energy: -370.179835
where:
bonds (distance) C4'-P energy: -72.973
bonds (distance) P-C4' energy: -60.588
flat angles C4'-P-C4' energy: -73.158
flat angles P-C4'-P energy: -47.561
tors. eta vs tors. theta energy: -115.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -1128.713693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.713693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.713693 (E_RNA)
where:
Base-Base interactions energy: -785.598
where: short stacking energy: -338.977
Base-Backbone interact. energy: -1.850
local terms energy: -341.265489
where:
bonds (distance) C4'-P energy: -64.223
bonds (distance) P-C4' energy: -64.156
flat angles C4'-P-C4' energy: -64.153
flat angles P-C4'-P energy: -57.061
tors. eta vs tors. theta energy: -91.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -1074.487814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.487814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.487814 (E_RNA)
where:
Base-Base interactions energy: -740.016
where: short stacking energy: -311.353
Base-Backbone interact. energy: 1.336
local terms energy: -335.807361
where:
bonds (distance) C4'-P energy: -62.631
bonds (distance) P-C4' energy: -69.390
flat angles C4'-P-C4' energy: -68.595
flat angles P-C4'-P energy: -46.657
tors. eta vs tors. theta energy: -88.535
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: 6
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -1059.591810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.591810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.591810 (E_RNA)
where:
Base-Base interactions energy: -743.117
where: short stacking energy: -314.901
Base-Backbone interact. energy: 0.093
local terms energy: -316.567918
where:
bonds (distance) C4'-P energy: -63.026
bonds (distance) P-C4' energy: -56.309
flat angles C4'-P-C4' energy: -66.156
flat angles P-C4'-P energy: -44.187
tors. eta vs tors. theta energy: -86.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -1043.963383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.963383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.963383 (E_RNA)
where:
Base-Base interactions energy: -724.207
where: short stacking energy: -312.844
Base-Backbone interact. energy: -1.754
local terms energy: -318.002388
where:
bonds (distance) C4'-P energy: -60.532
bonds (distance) P-C4' energy: -66.889
flat angles C4'-P-C4' energy: -55.625
flat angles P-C4'-P energy: -48.361
tors. eta vs tors. theta energy: -86.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -890.625772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.625772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.625772 (E_RNA)
where:
Base-Base interactions energy: -602.478
where: short stacking energy: -253.173
Base-Backbone interact. energy: -1.082
local terms energy: -287.066569
where:
bonds (distance) C4'-P energy: -56.306
bonds (distance) P-C4' energy: -59.513
flat angles C4'-P-C4' energy: -62.604
flat angles P-C4'-P energy: -40.437
tors. eta vs tors. theta energy: -68.208
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: 3
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -857.987693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.987693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.987693 (E_RNA)
where:
Base-Base interactions energy: -561.415
where: short stacking energy: -243.913
Base-Backbone interact. energy: 1.428
local terms energy: -298.000475
where:
bonds (distance) C4'-P energy: -62.912
bonds (distance) P-C4' energy: -51.116
flat angles C4'-P-C4' energy: -71.485
flat angles P-C4'-P energy: -40.943
tors. eta vs tors. theta energy: -71.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -769.269515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.269515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.269515 (E_RNA)
where:
Base-Base interactions energy: -500.214
where: short stacking energy: -213.209
Base-Backbone interact. energy: 0.504
local terms energy: -269.559704
where:
bonds (distance) C4'-P energy: -55.947
bonds (distance) P-C4' energy: -56.438
flat angles C4'-P-C4' energy: -61.910
flat angles P-C4'-P energy: -42.363
tors. eta vs tors. theta energy: -52.902
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: 5
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -670.440082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.440082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.440082 (E_RNA)
where:
Base-Base interactions energy: -440.852
where: short stacking energy: -178.633
Base-Backbone interact. energy: -2.055
local terms energy: -227.533176
where:
bonds (distance) C4'-P energy: -62.626
bonds (distance) P-C4' energy: -53.642
flat angles C4'-P-C4' energy: -54.110
flat angles P-C4'-P energy: -25.784
tors. eta vs tors. theta energy: -31.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -270.539975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.539975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.539975 (E_RNA)
where:
Base-Base interactions energy: -128.368
where: short stacking energy: -85.324
Base-Backbone interact. energy: 4.867
local terms energy: -147.038331
where:
bonds (distance) C4'-P energy: -45.211
bonds (distance) P-C4' energy: -50.963
flat angles C4'-P-C4' energy: -44.602
flat angles P-C4'-P energy: -22.253
tors. eta vs tors. theta energy: 15.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -1195.477494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.477494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.477494 (E_RNA)
where:
Base-Base interactions energy: -815.287
where: short stacking energy: -372.769
Base-Backbone interact. energy: -0.184
local terms energy: -380.006645
where:
bonds (distance) C4'-P energy: -68.174
bonds (distance) P-C4' energy: -70.347
flat angles C4'-P-C4' energy: -78.433
flat angles P-C4'-P energy: -51.646
tors. eta vs tors. theta energy: -111.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -1127.407966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.407966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.407966 (E_RNA)
where:
Base-Base interactions energy: -775.232
where: short stacking energy: -357.713
Base-Backbone interact. energy: 0.060
local terms energy: -352.235443
where:
bonds (distance) C4'-P energy: -63.470
bonds (distance) P-C4' energy: -65.967
flat angles C4'-P-C4' energy: -74.455
flat angles P-C4'-P energy: -51.255
tors. eta vs tors. theta energy: -97.088
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: 3, replica: 6
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -1086.726040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.726040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.726040 (E_RNA)
where:
Base-Base interactions energy: -725.158
where: short stacking energy: -310.011
Base-Backbone interact. energy: -1.810
local terms energy: -359.757634
where:
bonds (distance) C4'-P energy: -70.852
bonds (distance) P-C4' energy: -69.106
flat angles C4'-P-C4' energy: -71.332
flat angles P-C4'-P energy: -54.076
tors. eta vs tors. theta energy: -94.392
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: 8
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -1062.905421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.905421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.905421 (E_RNA)
where:
Base-Base interactions energy: -738.464
where: short stacking energy: -309.124
Base-Backbone interact. energy: 2.331
local terms energy: -326.772497
where:
bonds (distance) C4'-P energy: -66.831
bonds (distance) P-C4' energy: -60.085
flat angles C4'-P-C4' energy: -67.759
flat angles P-C4'-P energy: -44.013
tors. eta vs tors. theta energy: -88.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -1049.456520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.456520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.456520 (E_RNA)
where:
Base-Base interactions energy: -731.063
where: short stacking energy: -322.065
Base-Backbone interact. energy: 0.511
local terms energy: -318.904503
where:
bonds (distance) C4'-P energy: -56.327
bonds (distance) P-C4' energy: -62.668
flat angles C4'-P-C4' energy: -61.910
flat angles P-C4'-P energy: -49.416
tors. eta vs tors. theta energy: -88.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -932.011759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.011759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.011759 (E_RNA)
where:
Base-Base interactions energy: -616.566
where: short stacking energy: -278.583
Base-Backbone interact. energy: -0.225
local terms energy: -315.220481
where:
bonds (distance) C4'-P energy: -60.414
bonds (distance) P-C4' energy: -59.264
flat angles C4'-P-C4' energy: -71.171
flat angles P-C4'-P energy: -45.866
tors. eta vs tors. theta energy: -78.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -865.537656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.537656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.537656 (E_RNA)
where:
Base-Base interactions energy: -595.736
where: short stacking energy: -274.233
Base-Backbone interact. energy: -0.298
local terms energy: -269.503711
where:
bonds (distance) C4'-P energy: -49.042
bonds (distance) P-C4' energy: -47.469
flat angles C4'-P-C4' energy: -59.131
flat angles P-C4'-P energy: -43.656
tors. eta vs tors. theta energy: -70.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -784.725272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.725272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.725272 (E_RNA)
where:
Base-Base interactions energy: -543.113
where: short stacking energy: -222.486
Base-Backbone interact. energy: -0.657
local terms energy: -240.955944
where:
bonds (distance) C4'-P energy: -47.661
bonds (distance) P-C4' energy: -45.910
flat angles C4'-P-C4' energy: -54.049
flat angles P-C4'-P energy: -36.299
tors. eta vs tors. theta energy: -57.037
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: 5
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -657.931065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.931065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.931065 (E_RNA)
where:
Base-Base interactions energy: -414.248
where: short stacking energy: -192.647
Base-Backbone interact. energy: 0.960
local terms energy: -244.643714
where:
bonds (distance) C4'-P energy: -53.925
bonds (distance) P-C4' energy: -62.458
flat angles C4'-P-C4' energy: -64.568
flat angles P-C4'-P energy: -34.646
tors. eta vs tors. theta energy: -29.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -309.033418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.033418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.033418 (E_RNA)
where:
Base-Base interactions energy: -109.904
where: short stacking energy: -94.888
Base-Backbone interact. energy: -0.887
local terms energy: -198.242503
where:
bonds (distance) C4'-P energy: -52.162
bonds (distance) P-C4' energy: -60.552
flat angles C4'-P-C4' energy: -48.198
flat angles P-C4'-P energy: -35.187
tors. eta vs tors. theta energy: -2.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -1204.409286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.409286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.409286 (E_RNA)
where:
Base-Base interactions energy: -827.126
where: short stacking energy: -357.787
Base-Backbone interact. energy: -0.442
local terms energy: -376.841168
where:
bonds (distance) C4'-P energy: -64.681
bonds (distance) P-C4' energy: -66.250
flat angles C4'-P-C4' energy: -82.747
flat angles P-C4'-P energy: -47.254
tors. eta vs tors. theta energy: -115.910
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: 2
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -1143.640404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.640404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.640404 (E_RNA)
where:
Base-Base interactions energy: -798.360
where: short stacking energy: -343.228
Base-Backbone interact. energy: -1.653
local terms energy: -343.627124
where:
bonds (distance) C4'-P energy: -65.976
bonds (distance) P-C4' energy: -58.585
flat angles C4'-P-C4' energy: -68.945
flat angles P-C4'-P energy: -51.045
tors. eta vs tors. theta energy: -99.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -1099.001139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.001139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.001139 (E_RNA)
where:
Base-Base interactions energy: -770.428
where: short stacking energy: -339.916
Base-Backbone interact. energy: 0.753
local terms energy: -329.326264
where:
bonds (distance) C4'-P energy: -62.307
bonds (distance) P-C4' energy: -50.012
flat angles C4'-P-C4' energy: -75.190
flat angles P-C4'-P energy: -45.844
tors. eta vs tors. theta energy: -95.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -1054.332863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.332863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.332863 (E_RNA)
where:
Base-Base interactions energy: -725.440
where: short stacking energy: -321.527
Base-Backbone interact. energy: -1.579
local terms energy: -327.313598
where:
bonds (distance) C4'-P energy: -54.925
bonds (distance) P-C4' energy: -75.784
flat angles C4'-P-C4' energy: -58.638
flat angles P-C4'-P energy: -45.263
tors. eta vs tors. theta energy: -92.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -1023.723453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.723453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.723453 (E_RNA)
where:
Base-Base interactions energy: -703.282
where: short stacking energy: -298.798
Base-Backbone interact. energy: 1.870
local terms energy: -322.311669
where:
bonds (distance) C4'-P energy: -60.975
bonds (distance) P-C4' energy: -61.585
flat angles C4'-P-C4' energy: -70.465
flat angles P-C4'-P energy: -44.956
tors. eta vs tors. theta energy: -84.331
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: 6, replica: 3
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -860.166446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.166446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.166446 (E_RNA)
where:
Base-Base interactions energy: -571.230
where: short stacking energy: -252.607
Base-Backbone interact. energy: -0.214
local terms energy: -288.722271
where:
bonds (distance) C4'-P energy: -50.805
bonds (distance) P-C4' energy: -60.713
flat angles C4'-P-C4' energy: -63.361
flat angles P-C4'-P energy: -38.371
tors. eta vs tors. theta energy: -75.473
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: 4
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -898.222743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.222743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.222743 (E_RNA)
where:
Base-Base interactions energy: -600.398
where: short stacking energy: -269.438
Base-Backbone interact. energy: -1.040
local terms energy: -296.784444
where:
bonds (distance) C4'-P energy: -47.705
bonds (distance) P-C4' energy: -54.768
flat angles C4'-P-C4' energy: -67.267
flat angles P-C4'-P energy: -44.844
tors. eta vs tors. theta energy: -82.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -768.945858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.945858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.945858 (E_RNA)
where:
Base-Base interactions energy: -485.356
where: short stacking energy: -217.735
Base-Backbone interact. energy: -1.267
local terms energy: -282.323085
where:
bonds (distance) C4'-P energy: -56.348
bonds (distance) P-C4' energy: -67.379
flat angles C4'-P-C4' energy: -64.443
flat angles P-C4'-P energy: -43.565
tors. eta vs tors. theta energy: -50.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -616.973371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.973371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.973371 (E_RNA)
where:
Base-Base interactions energy: -393.719
where: short stacking energy: -162.979
Base-Backbone interact. energy: -2.225
local terms energy: -221.029340
where:
bonds (distance) C4'-P energy: -59.762
bonds (distance) P-C4' energy: -62.973
flat angles C4'-P-C4' energy: -57.386
flat angles P-C4'-P energy: -27.954
tors. eta vs tors. theta energy: -12.954
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: 10, replica: 7
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -285.398931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.398931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.398931 (E_RNA)
where:
Base-Base interactions energy: -107.203
where: short stacking energy: -93.041
Base-Backbone interact. energy: -1.035
local terms energy: -177.161558
where:
bonds (distance) C4'-P energy: -58.961
bonds (distance) P-C4' energy: -56.662
flat angles C4'-P-C4' energy: -54.186
flat angles P-C4'-P energy: -20.068
tors. eta vs tors. theta energy: 12.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -1188.266158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.266158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.266158 (E_RNA)
where:
Base-Base interactions energy: -820.201
where: short stacking energy: -368.998
Base-Backbone interact. energy: -0.644
local terms energy: -367.421607
where:
bonds (distance) C4'-P energy: -65.217
bonds (distance) P-C4' energy: -61.676
flat angles C4'-P-C4' energy: -71.789
flat angles P-C4'-P energy: -53.069
tors. eta vs tors. theta energy: -115.671
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: 2
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -1150.282220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.282220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.282220 (E_RNA)
where:
Base-Base interactions energy: -799.740
where: short stacking energy: -346.667
Base-Backbone interact. energy: -0.959
local terms energy: -349.582972
where:
bonds (distance) C4'-P energy: -66.043
bonds (distance) P-C4' energy: -65.206
flat angles C4'-P-C4' energy: -64.129
flat angles P-C4'-P energy: -50.920
tors. eta vs tors. theta energy: -103.285
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: 6
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -1091.047451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.047451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.047451 (E_RNA)
where:
Base-Base interactions energy: -757.930
where: short stacking energy: -324.927
Base-Backbone interact. energy: 1.652
local terms energy: -334.769855
where:
bonds (distance) C4'-P energy: -59.913
bonds (distance) P-C4' energy: -60.395
flat angles C4'-P-C4' energy: -74.734
flat angles P-C4'-P energy: -45.780
tors. eta vs tors. theta energy: -93.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -1049.261612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.261612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.261612 (E_RNA)
where:
Base-Base interactions energy: -720.578
where: short stacking energy: -306.643
Base-Backbone interact. energy: -1.991
local terms energy: -326.692794
where:
bonds (distance) C4'-P energy: -59.208
bonds (distance) P-C4' energy: -65.314
flat angles C4'-P-C4' energy: -69.957
flat angles P-C4'-P energy: -43.248
tors. eta vs tors. theta energy: -88.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -1016.715421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.715421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.715421 (E_RNA)
where:
Base-Base interactions energy: -711.038
where: short stacking energy: -310.662
Base-Backbone interact. energy: -0.136
local terms energy: -305.541578
where:
bonds (distance) C4'-P energy: -58.193
bonds (distance) P-C4' energy: -54.473
flat angles C4'-P-C4' energy: -67.064
flat angles P-C4'-P energy: -41.190
tors. eta vs tors. theta energy: -84.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -845.643328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.643328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.643328 (E_RNA)
where:
Base-Base interactions energy: -572.001
where: short stacking energy: -271.335
Base-Backbone interact. energy: -1.747
local terms energy: -271.894787
where:
bonds (distance) C4'-P energy: -39.838
bonds (distance) P-C4' energy: -68.178
flat angles C4'-P-C4' energy: -62.979
flat angles P-C4'-P energy: -42.494
tors. eta vs tors. theta energy: -58.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -846.500261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.500261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.500261 (E_RNA)
where:
Base-Base interactions energy: -555.641
where: short stacking energy: -248.548
Base-Backbone interact. energy: -0.730
local terms energy: -290.129906
where:
bonds (distance) C4'-P energy: -63.285
bonds (distance) P-C4' energy: -58.421
flat angles C4'-P-C4' energy: -58.728
flat angles P-C4'-P energy: -45.875
tors. eta vs tors. theta energy: -63.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -768.630528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.630528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.630528 (E_RNA)
where:
Base-Base interactions energy: -525.071
where: short stacking energy: -212.340
Base-Backbone interact. energy: 0.432
local terms energy: -243.992261
where:
bonds (distance) C4'-P energy: -46.043
bonds (distance) P-C4' energy: -62.685
flat angles C4'-P-C4' energy: -56.910
flat angles P-C4'-P energy: -37.971
tors. eta vs tors. theta energy: -40.382
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: 454
Temperature: 1.300000
Total energy: -572.314932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.314932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.314932 (E_RNA)
where:
Base-Base interactions energy: -356.360
where: short stacking energy: -168.022
Base-Backbone interact. energy: -3.378
local terms energy: -212.576734
where:
bonds (distance) C4'-P energy: -57.776
bonds (distance) P-C4' energy: -51.189
flat angles C4'-P-C4' energy: -49.132
flat angles P-C4'-P energy: -30.762
tors. eta vs tors. theta energy: -23.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -288.733187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.733187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.733187 (E_RNA)
where:
Base-Base interactions energy: -99.034
where: short stacking energy: -78.176
Base-Backbone interact. energy: 0.961
local terms energy: -190.660056
where:
bonds (distance) C4'-P energy: -54.604
bonds (distance) P-C4' energy: -61.997
flat angles C4'-P-C4' energy: -53.437
flat angles P-C4'-P energy: -31.009
tors. eta vs tors. theta energy: 10.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -1193.277463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.277463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.277463 (E_RNA)
where:
Base-Base interactions energy: -813.916
where: short stacking energy: -367.935
Base-Backbone interact. energy: 0.320
local terms energy: -379.681214
where:
bonds (distance) C4'-P energy: -72.398
bonds (distance) P-C4' energy: -69.798
flat angles C4'-P-C4' energy: -75.536
flat angles P-C4'-P energy: -53.841
tors. eta vs tors. theta energy: -108.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -1163.775173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.775173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.775173 (E_RNA)
where:
Base-Base interactions energy: -800.425
where: short stacking energy: -342.307
Base-Backbone interact. energy: 0.456
local terms energy: -363.806056
where:
bonds (distance) C4'-P energy: -69.170
bonds (distance) P-C4' energy: -61.431
flat angles C4'-P-C4' energy: -81.916
flat angles P-C4'-P energy: -53.715
tors. eta vs tors. theta energy: -97.575
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: 6
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -1088.067331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.067331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.067331 (E_RNA)
where:
Base-Base interactions energy: -726.335
where: short stacking energy: -332.323
Base-Backbone interact. energy: -1.815
local terms energy: -359.917615
where:
bonds (distance) C4'-P energy: -61.732
bonds (distance) P-C4' energy: -75.099
flat angles C4'-P-C4' energy: -76.534
flat angles P-C4'-P energy: -51.295
tors. eta vs tors. theta energy: -95.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -1065.465535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.465535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.465535 (E_RNA)
where:
Base-Base interactions energy: -733.065
where: short stacking energy: -322.254
Base-Backbone interact. energy: -1.757
local terms energy: -330.643121
where:
bonds (distance) C4'-P energy: -65.425
bonds (distance) P-C4' energy: -52.219
flat angles C4'-P-C4' energy: -72.423
flat angles P-C4'-P energy: -43.283
tors. eta vs tors. theta energy: -97.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -1005.112851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.112851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.112851 (E_RNA)
where:
Base-Base interactions energy: -702.819
where: short stacking energy: -308.232
Base-Backbone interact. energy: -0.170
local terms energy: -302.123163
where:
bonds (distance) C4'-P energy: -61.491
bonds (distance) P-C4' energy: -51.014
flat angles C4'-P-C4' energy: -66.762
flat angles P-C4'-P energy: -43.619
tors. eta vs tors. theta energy: -79.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -874.474193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.474193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.474193 (E_RNA)
where:
Base-Base interactions energy: -620.010
where: short stacking energy: -255.271
Base-Backbone interact. energy: 0.316
local terms energy: -254.780528
where:
bonds (distance) C4'-P energy: -44.341
bonds (distance) P-C4' energy: -55.958
flat angles C4'-P-C4' energy: -58.937
flat angles P-C4'-P energy: -30.665
tors. eta vs tors. theta energy: -64.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -866.677759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.677759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.677759 (E_RNA)
where:
Base-Base interactions energy: -587.565
where: short stacking energy: -263.209
Base-Backbone interact. energy: -0.638
local terms energy: -278.475056
where:
bonds (distance) C4'-P energy: -47.015
bonds (distance) P-C4' energy: -60.735
flat angles C4'-P-C4' energy: -57.815
flat angles P-C4'-P energy: -41.064
tors. eta vs tors. theta energy: -71.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -789.320334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.320334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.320334 (E_RNA)
where:
Base-Base interactions energy: -522.190
where: short stacking energy: -227.737
Base-Backbone interact. energy: -3.257
local terms energy: -263.873247
where:
bonds (distance) C4'-P energy: -44.184
bonds (distance) P-C4' energy: -54.015
flat angles C4'-P-C4' energy: -70.142
flat angles P-C4'-P energy: -39.879
tors. eta vs tors. theta energy: -55.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -581.316636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.316636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.316636 (E_RNA)
where:
Base-Base interactions energy: -363.653
where: short stacking energy: -159.050
Base-Backbone interact. energy: 1.723
local terms energy: -219.386559
where:
bonds (distance) C4'-P energy: -41.794
bonds (distance) P-C4' energy: -61.541
flat angles C4'-P-C4' energy: -46.373
flat angles P-C4'-P energy: -42.855
tors. eta vs tors. theta energy: -26.824
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: 7
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -275.226199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.226199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.226199 (E_RNA)
where:
Base-Base interactions energy: -83.988
where: short stacking energy: -80.453
Base-Backbone interact. energy: -0.066
local terms energy: -191.171563
where:
bonds (distance) C4'-P energy: -50.112
bonds (distance) P-C4' energy: -50.116
flat angles C4'-P-C4' energy: -53.845
flat angles P-C4'-P energy: -43.647
tors. eta vs tors. theta energy: 6.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -1202.196739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.196739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.196739 (E_RNA)
where:
Base-Base interactions energy: -820.297
where: short stacking energy: -350.313
Base-Backbone interact. energy: -1.126
local terms energy: -380.773426
where:
bonds (distance) C4'-P energy: -65.420
bonds (distance) P-C4' energy: -69.023
flat angles C4'-P-C4' energy: -79.723
flat angles P-C4'-P energy: -58.893
tors. eta vs tors. theta energy: -107.714
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: 2
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -1144.891161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.891161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.891161 (E_RNA)
where:
Base-Base interactions energy: -788.066
where: short stacking energy: -354.344
Base-Backbone interact. energy: -0.841
local terms energy: -355.984391
where:
bonds (distance) C4'-P energy: -58.464
bonds (distance) P-C4' energy: -67.630
flat angles C4'-P-C4' energy: -75.690
flat angles P-C4'-P energy: -51.635
tors. eta vs tors. theta energy: -102.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -1080.085454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.085454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.085454 (E_RNA)
where:
Base-Base interactions energy: -739.958
where: short stacking energy: -299.843
Base-Backbone interact. energy: -0.921
local terms energy: -339.206795
where:
bonds (distance) C4'-P energy: -64.899
bonds (distance) P-C4' energy: -62.330
flat angles C4'-P-C4' energy: -75.714
flat angles P-C4'-P energy: -51.650
tors. eta vs tors. theta energy: -84.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -1069.387445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.387445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.387445 (E_RNA)
where:
Base-Base interactions energy: -749.037
where: short stacking energy: -320.961
Base-Backbone interact. energy: 0.426
local terms energy: -320.776203
where:
bonds (distance) C4'-P energy: -60.529
bonds (distance) P-C4' energy: -48.013
flat angles C4'-P-C4' energy: -72.633
flat angles P-C4'-P energy: -45.511
tors. eta vs tors. theta energy: -94.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -1024.840947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.840947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.840947 (E_RNA)
where:
Base-Base interactions energy: -719.790
where: short stacking energy: -291.812
Base-Backbone interact. energy: -2.029
local terms energy: -303.022619
where:
bonds (distance) C4'-P energy: -57.119
bonds (distance) P-C4' energy: -55.990
flat angles C4'-P-C4' energy: -71.053
flat angles P-C4'-P energy: -37.842
tors. eta vs tors. theta energy: -81.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -886.137170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.137170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.137170 (E_RNA)
where:
Base-Base interactions energy: -595.628
where: short stacking energy: -266.412
Base-Backbone interact. energy: -1.942
local terms energy: -288.567327
where:
bonds (distance) C4'-P energy: -60.811
bonds (distance) P-C4' energy: -65.498
flat angles C4'-P-C4' energy: -59.127
flat angles P-C4'-P energy: -37.289
tors. eta vs tors. theta energy: -65.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -840.262636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.262636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.262636 (E_RNA)
where:
Base-Base interactions energy: -555.223
where: short stacking energy: -259.778
Base-Backbone interact. energy: -1.548
local terms energy: -283.491490
where:
bonds (distance) C4'-P energy: -47.117
bonds (distance) P-C4' energy: -59.624
flat angles C4'-P-C4' energy: -67.632
flat angles P-C4'-P energy: -37.985
tors. eta vs tors. theta energy: -71.133
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: 9
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -787.418339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.418339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.418339 (E_RNA)
where:
Base-Base interactions energy: -533.728
where: short stacking energy: -225.232
Base-Backbone interact. energy: -0.848
local terms energy: -252.842290
where:
bonds (distance) C4'-P energy: -56.270
bonds (distance) P-C4' energy: -50.214
flat angles C4'-P-C4' energy: -53.769
flat angles P-C4'-P energy: -35.184
tors. eta vs tors. theta energy: -57.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -564.232788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.232788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.232788 (E_RNA)
where:
Base-Base interactions energy: -339.108
where: short stacking energy: -151.278
Base-Backbone interact. energy: 0.224
local terms energy: -225.348111
where:
bonds (distance) C4'-P energy: -60.889
bonds (distance) P-C4' energy: -67.469
flat angles C4'-P-C4' energy: -56.232
flat angles P-C4'-P energy: -37.342
tors. eta vs tors. theta energy: -3.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -302.927398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.927398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.927398 (E_RNA)
where:
Base-Base interactions energy: -127.359
where: short stacking energy: -69.087
Base-Backbone interact. energy: -2.420
local terms energy: -173.148079
where:
bonds (distance) C4'-P energy: -56.362
bonds (distance) P-C4' energy: -55.843
flat angles C4'-P-C4' energy: -41.687
flat angles P-C4'-P energy: -29.849
tors. eta vs tors. theta energy: 10.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -1201.479230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.479230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.479230 (E_RNA)
where:
Base-Base interactions energy: -815.028
where: short stacking energy: -377.288
Base-Backbone interact. energy: -0.371
local terms energy: -386.080621
where:
bonds (distance) C4'-P energy: -72.362
bonds (distance) P-C4' energy: -66.491
flat angles C4'-P-C4' energy: -76.745
flat angles P-C4'-P energy: -50.990
tors. eta vs tors. theta energy: -119.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -1159.010881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.010881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.010881 (E_RNA)
where:
Base-Base interactions energy: -807.608
where: short stacking energy: -355.073
Base-Backbone interact. energy: -0.012
local terms energy: -351.391173
where:
bonds (distance) C4'-P energy: -67.614
bonds (distance) P-C4' energy: -53.248
flat angles C4'-P-C4' energy: -74.795
flat angles P-C4'-P energy: -52.065
tors. eta vs tors. theta energy: -103.670
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: 10
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -1070.025004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.025004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.025004 (E_RNA)
where:
Base-Base interactions energy: -735.857
where: short stacking energy: -305.806
Base-Backbone interact. energy: 3.392
local terms energy: -337.559763
where:
bonds (distance) C4'-P energy: -62.154
bonds (distance) P-C4' energy: -62.990
flat angles C4'-P-C4' energy: -73.412
flat angles P-C4'-P energy: -48.758
tors. eta vs tors. theta energy: -90.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -1072.838206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.838206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.838206 (E_RNA)
where:
Base-Base interactions energy: -742.895
where: short stacking energy: -321.856
Base-Backbone interact. energy: -1.393
local terms energy: -328.550711
where:
bonds (distance) C4'-P energy: -52.179
bonds (distance) P-C4' energy: -70.950
flat angles C4'-P-C4' energy: -66.451
flat angles P-C4'-P energy: -41.268
tors. eta vs tors. theta energy: -97.703
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: 8
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -1036.055166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.055166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.055166 (E_RNA)
where:
Base-Base interactions energy: -710.012
where: short stacking energy: -310.509
Base-Backbone interact. energy: -1.789
local terms energy: -324.253885
where:
bonds (distance) C4'-P energy: -53.208
bonds (distance) P-C4' energy: -60.978
flat angles C4'-P-C4' energy: -68.466
flat angles P-C4'-P energy: -50.055
tors. eta vs tors. theta energy: -91.547
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: 4
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -874.732836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.732836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.732836 (E_RNA)
where:
Base-Base interactions energy: -591.474
where: short stacking energy: -261.486
Base-Backbone interact. energy: -2.418
local terms energy: -280.841319
where:
bonds (distance) C4'-P energy: -53.479
bonds (distance) P-C4' energy: -62.392
flat angles C4'-P-C4' energy: -65.643
flat angles P-C4'-P energy: -39.084
tors. eta vs tors. theta energy: -60.244
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: 3
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -828.103388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.103388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.103388 (E_RNA)
where:
Base-Base interactions energy: -561.574
where: short stacking energy: -255.601
Base-Backbone interact. energy: -0.546
local terms energy: -265.983352
where:
bonds (distance) C4'-P energy: -63.664
bonds (distance) P-C4' energy: -54.198
flat angles C4'-P-C4' energy: -50.695
flat angles P-C4'-P energy: -42.313
tors. eta vs tors. theta energy: -55.114
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: 9
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -801.980609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.980609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.980609 (E_RNA)
where:
Base-Base interactions energy: -524.821
where: short stacking energy: -233.061
Base-Backbone interact. energy: -0.914
local terms energy: -276.245440
where:
bonds (distance) C4'-P energy: -59.719
bonds (distance) P-C4' energy: -50.157
flat angles C4'-P-C4' energy: -73.514
flat angles P-C4'-P energy: -43.132
tors. eta vs tors. theta energy: -49.723
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: 5
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -532.381758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.381758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.381758 (E_RNA)
where:
Base-Base interactions energy: -337.250
where: short stacking energy: -149.361
Base-Backbone interact. energy: -1.023
local terms energy: -194.109120
where:
bonds (distance) C4'-P energy: -51.911
bonds (distance) P-C4' energy: -48.492
flat angles C4'-P-C4' energy: -52.793
flat angles P-C4'-P energy: -27.161
tors. eta vs tors. theta energy: -13.751
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: 7
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -362.460416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.460416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.460416 (E_RNA)
where:
Base-Base interactions energy: -179.674
where: short stacking energy: -85.367
Base-Backbone interact. energy: -1.960
local terms energy: -180.825778
where:
bonds (distance) C4'-P energy: -51.604
bonds (distance) P-C4' energy: -63.128
flat angles C4'-P-C4' energy: -49.801
flat angles P-C4'-P energy: -31.828
tors. eta vs tors. theta energy: 15.536
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: 1
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -1195.721481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.721481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.721481 (E_RNA)
where:
Base-Base interactions energy: -816.022
where: short stacking energy: -382.335
Base-Backbone interact. energy: -0.098
local terms energy: -379.601364
where:
bonds (distance) C4'-P energy: -63.698
bonds (distance) P-C4' energy: -63.421
flat angles C4'-P-C4' energy: -79.747
flat angles P-C4'-P energy: -56.901
tors. eta vs tors. theta energy: -115.835
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: 2
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -1144.084432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.084432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.084432 (E_RNA)
where:
Base-Base interactions energy: -801.269
where: short stacking energy: -346.723
Base-Backbone interact. energy: -1.048
local terms energy: -341.767293
where:
bonds (distance) C4'-P energy: -53.687
bonds (distance) P-C4' energy: -60.506
flat angles C4'-P-C4' energy: -74.211
flat angles P-C4'-P energy: -54.147
tors. eta vs tors. theta energy: -99.217
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: 3, replica: 10
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -1069.461275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.461275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.461275 (E_RNA)
where:
Base-Base interactions energy: -745.710
where: short stacking energy: -313.713
Base-Backbone interact. energy: -1.013
local terms energy: -322.738393
where:
bonds (distance) C4'-P energy: -58.213
bonds (distance) P-C4' energy: -67.722
flat angles C4'-P-C4' energy: -59.127
flat angles P-C4'-P energy: -51.905
tors. eta vs tors. theta energy: -85.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -1063.313388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.313388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.313388 (E_RNA)
where:
Base-Base interactions energy: -737.852
where: short stacking energy: -315.768
Base-Backbone interact. energy: -1.795
local terms energy: -323.667036
where:
bonds (distance) C4'-P energy: -52.368
bonds (distance) P-C4' energy: -65.090
flat angles C4'-P-C4' energy: -67.802
flat angles P-C4'-P energy: -46.593
tors. eta vs tors. theta energy: -91.814
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: 5, replica: 8
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -1035.829083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.829083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.829083 (E_RNA)
where:
Base-Base interactions energy: -732.469
where: short stacking energy: -299.048
Base-Backbone interact. energy: -0.954
local terms energy: -302.405749
where:
bonds (distance) C4'-P energy: -49.042
bonds (distance) P-C4' energy: -66.610
flat angles C4'-P-C4' energy: -64.973
flat angles P-C4'-P energy: -43.695
tors. eta vs tors. theta energy: -78.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -898.552287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.552287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.552287 (E_RNA)
where:
Base-Base interactions energy: -598.033
where: short stacking energy: -282.238
Base-Backbone interact. energy: -1.280
local terms energy: -299.239874
where:
bonds (distance) C4'-P energy: -64.970
bonds (distance) P-C4' energy: -51.283
flat angles C4'-P-C4' energy: -65.645
flat angles P-C4'-P energy: -39.153
tors. eta vs tors. theta energy: -78.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -863.829072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.829072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.829072 (E_RNA)
where:
Base-Base interactions energy: -579.513
where: short stacking energy: -266.119
Base-Backbone interact. energy: -1.379
local terms energy: -282.937005
where:
bonds (distance) C4'-P energy: -52.942
bonds (distance) P-C4' energy: -56.594
flat angles C4'-P-C4' energy: -59.295
flat angles P-C4'-P energy: -53.240
tors. eta vs tors. theta energy: -60.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -805.606467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.606467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.606467 (E_RNA)
where:
Base-Base interactions energy: -548.045
where: short stacking energy: -225.372
Base-Backbone interact. energy: -2.279
local terms energy: -255.282735
where:
bonds (distance) C4'-P energy: -50.902
bonds (distance) P-C4' energy: -53.059
flat angles C4'-P-C4' energy: -55.230
flat angles P-C4'-P energy: -31.160
tors. eta vs tors. theta energy: -64.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -529.039649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.039649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.039649 (E_RNA)
where:
Base-Base interactions energy: -321.528
where: short stacking energy: -158.316
Base-Backbone interact. energy: -0.043
local terms energy: -207.469320
where:
bonds (distance) C4'-P energy: -65.727
bonds (distance) P-C4' energy: -51.673
flat angles C4'-P-C4' energy: -50.542
flat angles P-C4'-P energy: -17.688
tors. eta vs tors. theta energy: -21.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -369.199846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.199846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.199846 (E_RNA)
where:
Base-Base interactions energy: -206.608
where: short stacking energy: -119.648
Base-Backbone interact. energy: 2.716
local terms energy: -165.308011
where:
bonds (distance) C4'-P energy: -55.536
bonds (distance) P-C4' energy: -48.251
flat angles C4'-P-C4' energy: -42.848
flat angles P-C4'-P energy: -16.247
tors. eta vs tors. theta energy: -2.426
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: 1
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -1200.182487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.182487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.182487 (E_RNA)
where:
Base-Base interactions energy: -821.717
where: short stacking energy: -357.449
Base-Backbone interact. energy: -0.797
local terms energy: -377.667619
where:
bonds (distance) C4'-P energy: -61.730
bonds (distance) P-C4' energy: -70.031
flat angles C4'-P-C4' energy: -75.338
flat angles P-C4'-P energy: -57.335
tors. eta vs tors. theta energy: -113.234
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: 2, replica: 2
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -1124.848738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.848738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.848738 (E_RNA)
where:
Base-Base interactions energy: -780.428
where: short stacking energy: -352.761
Base-Backbone interact. energy: -1.220
local terms energy: -343.201234
where:
bonds (distance) C4'-P energy: -61.312
bonds (distance) P-C4' energy: -61.148
flat angles C4'-P-C4' energy: -75.221
flat angles P-C4'-P energy: -48.674
tors. eta vs tors. theta energy: -96.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -1075.780041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.780041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.780041 (E_RNA)
where:
Base-Base interactions energy: -741.109
where: short stacking energy: -312.565
Base-Backbone interact. energy: -0.520
local terms energy: -334.151624
where:
bonds (distance) C4'-P energy: -59.717
bonds (distance) P-C4' energy: -51.953
flat angles C4'-P-C4' energy: -73.509
flat angles P-C4'-P energy: -51.997
tors. eta vs tors. theta energy: -96.977
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: 6
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -1062.691788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.691788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.691788 (E_RNA)
where:
Base-Base interactions energy: -739.083
where: short stacking energy: -329.476
Base-Backbone interact. energy: -1.201
local terms energy: -322.407913
where:
bonds (distance) C4'-P energy: -59.011
bonds (distance) P-C4' energy: -58.327
flat angles C4'-P-C4' energy: -68.819
flat angles P-C4'-P energy: -41.709
tors. eta vs tors. theta energy: -94.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -991.485221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.485221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.485221 (E_RNA)
where:
Base-Base interactions energy: -692.328
where: short stacking energy: -263.966
Base-Backbone interact. energy: -1.350
local terms energy: -297.806729
where:
bonds (distance) C4'-P energy: -63.771
bonds (distance) P-C4' energy: -59.085
flat angles C4'-P-C4' energy: -61.373
flat angles P-C4'-P energy: -41.130
tors. eta vs tors. theta energy: -72.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -906.954946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.954946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.954946 (E_RNA)
where:
Base-Base interactions energy: -620.629
where: short stacking energy: -267.405
Base-Backbone interact. energy: -0.826
local terms energy: -285.500415
where:
bonds (distance) C4'-P energy: -49.628
bonds (distance) P-C4' energy: -60.219
flat angles C4'-P-C4' energy: -64.030
flat angles P-C4'-P energy: -36.127
tors. eta vs tors. theta energy: -75.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -859.046956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.046956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.046956 (E_RNA)
where:
Base-Base interactions energy: -583.506
where: short stacking energy: -266.844
Base-Backbone interact. energy: -0.987
local terms energy: -274.553478
where:
bonds (distance) C4'-P energy: -50.623
bonds (distance) P-C4' energy: -56.999
flat angles C4'-P-C4' energy: -60.725
flat angles P-C4'-P energy: -43.164
tors. eta vs tors. theta energy: -63.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -787.344009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.344009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.344009 (E_RNA)
where:
Base-Base interactions energy: -534.368
where: short stacking energy: -219.155
Base-Backbone interact. energy: -0.739
local terms energy: -252.237214
where:
bonds (distance) C4'-P energy: -53.993
bonds (distance) P-C4' energy: -62.348
flat angles C4'-P-C4' energy: -60.359
flat angles P-C4'-P energy: -28.358
tors. eta vs tors. theta energy: -47.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -529.063905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.063905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.063905 (E_RNA)
where:
Base-Base interactions energy: -309.837
where: short stacking energy: -163.552
Base-Backbone interact. energy: 0.858
local terms energy: -220.084454
where:
bonds (distance) C4'-P energy: -39.228
bonds (distance) P-C4' energy: -56.796
flat angles C4'-P-C4' energy: -52.183
flat angles P-C4'-P energy: -38.217
tors. eta vs tors. theta energy: -33.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -352.302252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.302252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.302252 (E_RNA)
where:
Base-Base interactions energy: -158.821
where: short stacking energy: -90.336
Base-Backbone interact. energy: -0.526
local terms energy: -192.954936
where:
bonds (distance) C4'-P energy: -50.389
bonds (distance) P-C4' energy: -61.336
flat angles C4'-P-C4' energy: -45.077
flat angles P-C4'-P energy: -39.776
tors. eta vs tors. theta energy: 3.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -1207.002046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.002046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.002046 (E_RNA)
where:
Base-Base interactions energy: -831.560
where: short stacking energy: -372.049
Base-Backbone interact. energy: -1.522
local terms energy: -373.920168
where:
bonds (distance) C4'-P energy: -69.979
bonds (distance) P-C4' energy: -68.079
flat angles C4'-P-C4' energy: -77.799
flat angles P-C4'-P energy: -49.666
tors. eta vs tors. theta energy: -108.397
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: 460
Temperature: 0.950000
Total energy: -1130.174693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.174693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.174693 (E_RNA)
where:
Base-Base interactions energy: -782.506
where: short stacking energy: -343.982
Base-Backbone interact. energy: -0.139
local terms energy: -347.529281
where:
bonds (distance) C4'-P energy: -71.991
bonds (distance) P-C4' energy: -60.016
flat angles C4'-P-C4' energy: -75.131
flat angles P-C4'-P energy: -44.601
tors. eta vs tors. theta energy: -95.790
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: 3, replica: 10
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -1090.360307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.360307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.360307 (E_RNA)
where:
Base-Base interactions energy: -751.513
where: short stacking energy: -346.669
Base-Backbone interact. energy: 4.312
local terms energy: -343.160036
where:
bonds (distance) C4'-P energy: -70.117
bonds (distance) P-C4' energy: -60.470
flat angles C4'-P-C4' energy: -70.511
flat angles P-C4'-P energy: -44.327
tors. eta vs tors. theta energy: -97.736
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: 6
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -1049.685864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.685864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.685864 (E_RNA)
where:
Base-Base interactions energy: -723.607
where: short stacking energy: -313.489
Base-Backbone interact. energy: 0.572
local terms energy: -326.650762
where:
bonds (distance) C4'-P energy: -60.230
bonds (distance) P-C4' energy: -66.320
flat angles C4'-P-C4' energy: -72.073
flat angles P-C4'-P energy: -44.377
tors. eta vs tors. theta energy: -83.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -1012.817299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.817299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.817299 (E_RNA)
where:
Base-Base interactions energy: -707.290
where: short stacking energy: -276.424
Base-Backbone interact. energy: 0.183
local terms energy: -305.710717
where:
bonds (distance) C4'-P energy: -55.469
bonds (distance) P-C4' energy: -55.569
flat angles C4'-P-C4' energy: -72.519
flat angles P-C4'-P energy: -54.403
tors. eta vs tors. theta energy: -67.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -902.496620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.496620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.496620 (E_RNA)
where:
Base-Base interactions energy: -596.182
where: short stacking energy: -264.094
Base-Backbone interact. energy: -0.795
local terms energy: -305.519949
where:
bonds (distance) C4'-P energy: -67.391
bonds (distance) P-C4' energy: -69.803
flat angles C4'-P-C4' energy: -61.549
flat angles P-C4'-P energy: -33.052
tors. eta vs tors. theta energy: -73.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -867.701616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.701616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.701616 (E_RNA)
where:
Base-Base interactions energy: -600.686
where: short stacking energy: -259.270
Base-Backbone interact. energy: -2.756
local terms energy: -264.259818
where:
bonds (distance) C4'-P energy: -52.924
bonds (distance) P-C4' energy: -47.847
flat angles C4'-P-C4' energy: -56.569
flat angles P-C4'-P energy: -43.237
tors. eta vs tors. theta energy: -63.684
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: 9
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -774.289600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.289600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.289600 (E_RNA)
where:
Base-Base interactions energy: -525.945
where: short stacking energy: -219.395
Base-Backbone interact. energy: -1.036
local terms energy: -247.308940
where:
bonds (distance) C4'-P energy: -63.407
bonds (distance) P-C4' energy: -40.457
flat angles C4'-P-C4' energy: -49.849
flat angles P-C4'-P energy: -40.770
tors. eta vs tors. theta energy: -52.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -571.926168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.926168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.926168 (E_RNA)
where:
Base-Base interactions energy: -369.343
where: short stacking energy: -187.141
Base-Backbone interact. energy: 1.716
local terms energy: -204.299053
where:
bonds (distance) C4'-P energy: -57.589
bonds (distance) P-C4' energy: -45.148
flat angles C4'-P-C4' energy: -53.884
flat angles P-C4'-P energy: -22.203
tors. eta vs tors. theta energy: -25.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -343.932400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.932400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.932400 (E_RNA)
where:
Base-Base interactions energy: -151.066
where: short stacking energy: -91.018
Base-Backbone interact. energy: -1.460
local terms energy: -191.406508
where:
bonds (distance) C4'-P energy: -55.417
bonds (distance) P-C4' energy: -50.983
flat angles C4'-P-C4' energy: -58.474
flat angles P-C4'-P energy: -36.265
tors. eta vs tors. theta energy: 9.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -1190.397000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.397000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.397000 (E_RNA)
where:
Base-Base interactions energy: -817.048
where: short stacking energy: -377.360
Base-Backbone interact. energy: -0.130
local terms energy: -373.218844
where:
bonds (distance) C4'-P energy: -65.367
bonds (distance) P-C4' energy: -66.432
flat angles C4'-P-C4' energy: -77.322
flat angles P-C4'-P energy: -52.790
tors. eta vs tors. theta energy: -111.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -1125.639975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.639975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.639975 (E_RNA)
where:
Base-Base interactions energy: -773.952
where: short stacking energy: -333.174
Base-Backbone interact. energy: -0.278
local terms energy: -351.410786
where:
bonds (distance) C4'-P energy: -75.308
bonds (distance) P-C4' energy: -63.824
flat angles C4'-P-C4' energy: -74.288
flat angles P-C4'-P energy: -56.970
tors. eta vs tors. theta energy: -81.021
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: 10
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -1079.258118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.258118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.258118 (E_RNA)
where:
Base-Base interactions energy: -729.932
where: short stacking energy: -320.635
Base-Backbone interact. energy: -1.020
local terms energy: -348.306929
where:
bonds (distance) C4'-P energy: -73.544
bonds (distance) P-C4' energy: -56.590
flat angles C4'-P-C4' energy: -75.468
flat angles P-C4'-P energy: -51.609
tors. eta vs tors. theta energy: -91.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -1053.656443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.656443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.656443 (E_RNA)
where:
Base-Base interactions energy: -731.806
where: short stacking energy: -290.349
Base-Backbone interact. energy: 0.022
local terms energy: -321.871912
where:
bonds (distance) C4'-P energy: -61.948
bonds (distance) P-C4' energy: -69.390
flat angles C4'-P-C4' energy: -69.453
flat angles P-C4'-P energy: -49.470
tors. eta vs tors. theta energy: -71.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -1014.100614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.100614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.100614 (E_RNA)
where:
Base-Base interactions energy: -712.228
where: short stacking energy: -291.653
Base-Backbone interact. energy: -1.037
local terms energy: -300.835547
where:
bonds (distance) C4'-P energy: -49.179
bonds (distance) P-C4' energy: -58.676
flat angles C4'-P-C4' energy: -70.029
flat angles P-C4'-P energy: -34.422
tors. eta vs tors. theta energy: -88.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -924.198938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.198938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.198938 (E_RNA)
where:
Base-Base interactions energy: -627.411
where: short stacking energy: -278.291
Base-Backbone interact. energy: -1.533
local terms energy: -295.255449
where:
bonds (distance) C4'-P energy: -55.396
bonds (distance) P-C4' energy: -50.793
flat angles C4'-P-C4' energy: -66.261
flat angles P-C4'-P energy: -49.140
tors. eta vs tors. theta energy: -73.665
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: 4
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -882.010355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.010355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.010355 (E_RNA)
where:
Base-Base interactions energy: -580.190
where: short stacking energy: -270.887
Base-Backbone interact. energy: -1.163
local terms energy: -300.657002
where:
bonds (distance) C4'-P energy: -55.671
bonds (distance) P-C4' energy: -62.939
flat angles C4'-P-C4' energy: -64.961
flat angles P-C4'-P energy: -43.786
tors. eta vs tors. theta energy: -73.301
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: 9
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -791.966201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.966201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.966201 (E_RNA)
where:
Base-Base interactions energy: -515.159
where: short stacking energy: -230.269
Base-Backbone interact. energy: 0.969
local terms energy: -277.776659
where:
bonds (distance) C4'-P energy: -53.955
bonds (distance) P-C4' energy: -68.449
flat angles C4'-P-C4' energy: -68.400
flat angles P-C4'-P energy: -23.671
tors. eta vs tors. theta energy: -63.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -564.352077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.352077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.352077 (E_RNA)
where:
Base-Base interactions energy: -347.165
where: short stacking energy: -163.832
Base-Backbone interact. energy: 0.517
local terms energy: -217.704488
where:
bonds (distance) C4'-P energy: -48.998
bonds (distance) P-C4' energy: -53.406
flat angles C4'-P-C4' energy: -63.738
flat angles P-C4'-P energy: -29.565
tors. eta vs tors. theta energy: -21.998
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: 7
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -326.410122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.410122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.410122 (E_RNA)
where:
Base-Base interactions energy: -143.485
where: short stacking energy: -82.775
Base-Backbone interact. energy: 1.215
local terms energy: -184.140655
where:
bonds (distance) C4'-P energy: -45.147
bonds (distance) P-C4' energy: -68.055
flat angles C4'-P-C4' energy: -41.601
flat angles P-C4'-P energy: -36.921
tors. eta vs tors. theta energy: 7.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -1203.161151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.161151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.161151 (E_RNA)
where:
Base-Base interactions energy: -815.143
where: short stacking energy: -372.853
Base-Backbone interact. energy: -1.001
local terms energy: -387.017102
where:
bonds (distance) C4'-P energy: -69.117
bonds (distance) P-C4' energy: -63.630
flat angles C4'-P-C4' energy: -81.534
flat angles P-C4'-P energy: -55.995
tors. eta vs tors. theta energy: -116.740
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: 2
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -1144.042513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.042513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.042513 (E_RNA)
where:
Base-Base interactions energy: -816.423
where: short stacking energy: -331.950
Base-Backbone interact. energy: -0.591
local terms energy: -327.028331
where:
bonds (distance) C4'-P energy: -52.870
bonds (distance) P-C4' energy: -62.765
flat angles C4'-P-C4' energy: -73.309
flat angles P-C4'-P energy: -49.988
tors. eta vs tors. theta energy: -88.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -1086.017476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.017476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.017476 (E_RNA)
where:
Base-Base interactions energy: -758.165
where: short stacking energy: -330.144
Base-Backbone interact. energy: -0.836
local terms energy: -327.017015
where:
bonds (distance) C4'-P energy: -53.825
bonds (distance) P-C4' energy: -63.500
flat angles C4'-P-C4' energy: -73.425
flat angles P-C4'-P energy: -43.860
tors. eta vs tors. theta energy: -92.408
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: 4, replica: 8
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -1017.887596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.887596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.887596 (E_RNA)
where:
Base-Base interactions energy: -727.122
where: short stacking energy: -309.446
Base-Backbone interact. energy: 1.402
local terms energy: -292.167064
where:
bonds (distance) C4'-P energy: -56.177
bonds (distance) P-C4' energy: -46.641
flat angles C4'-P-C4' energy: -67.197
flat angles P-C4'-P energy: -44.196
tors. eta vs tors. theta energy: -77.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -1017.846057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.846057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.846057 (E_RNA)
where:
Base-Base interactions energy: -692.962
where: short stacking energy: -301.460
Base-Backbone interact. energy: -2.382
local terms energy: -322.502073
where:
bonds (distance) C4'-P energy: -62.599
bonds (distance) P-C4' energy: -56.295
flat angles C4'-P-C4' energy: -67.716
flat angles P-C4'-P energy: -48.433
tors. eta vs tors. theta energy: -87.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -929.917740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.917740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.917740 (E_RNA)
where:
Base-Base interactions energy: -636.230
where: short stacking energy: -277.537
Base-Backbone interact. energy: -0.787
local terms energy: -292.900040
where:
bonds (distance) C4'-P energy: -51.082
bonds (distance) P-C4' energy: -63.228
flat angles C4'-P-C4' energy: -58.492
flat angles P-C4'-P energy: -40.827
tors. eta vs tors. theta energy: -79.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -786.787824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.787824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.787824 (E_RNA)
where:
Base-Base interactions energy: -515.812
where: short stacking energy: -219.889
Base-Backbone interact. energy: -3.203
local terms energy: -267.772732
where:
bonds (distance) C4'-P energy: -55.308
bonds (distance) P-C4' energy: -48.367
flat angles C4'-P-C4' energy: -67.645
flat angles P-C4'-P energy: -38.836
tors. eta vs tors. theta energy: -57.616
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: 4
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -806.268054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.268054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.268054 (E_RNA)
where:
Base-Base interactions energy: -527.559
where: short stacking energy: -233.634
Base-Backbone interact. energy: -0.597
local terms energy: -278.112007
where:
bonds (distance) C4'-P energy: -49.739
bonds (distance) P-C4' energy: -68.700
flat angles C4'-P-C4' energy: -55.272
flat angles P-C4'-P energy: -45.887
tors. eta vs tors. theta energy: -58.514
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: 5
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -582.414549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.414549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.414549 (E_RNA)
where:
Base-Base interactions energy: -359.204
where: short stacking energy: -162.359
Base-Backbone interact. energy: 1.764
local terms energy: -224.974398
where:
bonds (distance) C4'-P energy: -59.506
bonds (distance) P-C4' energy: -49.096
flat angles C4'-P-C4' energy: -57.384
flat angles P-C4'-P energy: -26.378
tors. eta vs tors. theta energy: -32.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -274.846545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.846545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.846545 (E_RNA)
where:
Base-Base interactions energy: -106.332
where: short stacking energy: -89.682
Base-Backbone interact. energy: 0.356
local terms energy: -168.870112
where:
bonds (distance) C4'-P energy: -42.034
bonds (distance) P-C4' energy: -55.380
flat angles C4'-P-C4' energy: -50.428
flat angles P-C4'-P energy: -33.649
tors. eta vs tors. theta energy: 12.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -1206.031822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.031822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.031822 (E_RNA)
where:
Base-Base interactions energy: -824.496
where: short stacking energy: -362.210
Base-Backbone interact. energy: -0.368
local terms energy: -381.168054
where:
bonds (distance) C4'-P energy: -65.165
bonds (distance) P-C4' energy: -69.886
flat angles C4'-P-C4' energy: -83.572
flat angles P-C4'-P energy: -52.185
tors. eta vs tors. theta energy: -110.360
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: 2
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -1141.578491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.578491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.578491 (E_RNA)
where:
Base-Base interactions energy: -778.777
where: short stacking energy: -345.625
Base-Backbone interact. energy: -1.907
local terms energy: -360.894287
where:
bonds (distance) C4'-P energy: -62.140
bonds (distance) P-C4' energy: -75.920
flat angles C4'-P-C4' energy: -83.030
flat angles P-C4'-P energy: -47.234
tors. eta vs tors. theta energy: -92.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -1090.656257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.656257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.656257 (E_RNA)
where:
Base-Base interactions energy: -746.172
where: short stacking energy: -316.467
Base-Backbone interact. energy: -1.149
local terms energy: -343.335538
where:
bonds (distance) C4'-P energy: -58.490
bonds (distance) P-C4' energy: -68.934
flat angles C4'-P-C4' energy: -77.770
flat angles P-C4'-P energy: -46.750
tors. eta vs tors. theta energy: -91.391
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: 4, replica: 6
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -1026.751223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.751223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.751223 (E_RNA)
where:
Base-Base interactions energy: -712.568
where: short stacking energy: -319.009
Base-Backbone interact. energy: -1.025
local terms energy: -313.157341
where:
bonds (distance) C4'-P energy: -61.608
bonds (distance) P-C4' energy: -61.603
flat angles C4'-P-C4' energy: -70.399
flat angles P-C4'-P energy: -32.954
tors. eta vs tors. theta energy: -86.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -1023.976075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.976075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.976075 (E_RNA)
where:
Base-Base interactions energy: -717.007
where: short stacking energy: -289.054
Base-Backbone interact. energy: 0.562
local terms energy: -307.530837
where:
bonds (distance) C4'-P energy: -56.512
bonds (distance) P-C4' energy: -62.860
flat angles C4'-P-C4' energy: -68.114
flat angles P-C4'-P energy: -39.707
tors. eta vs tors. theta energy: -80.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -954.718441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.718441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.718441 (E_RNA)
where:
Base-Base interactions energy: -656.609
where: short stacking energy: -271.837
Base-Backbone interact. energy: -1.380
local terms energy: -296.729738
where:
bonds (distance) C4'-P energy: -50.012
bonds (distance) P-C4' energy: -50.358
flat angles C4'-P-C4' energy: -73.518
flat angles P-C4'-P energy: -38.392
tors. eta vs tors. theta energy: -84.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -795.891956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.891956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.891956 (E_RNA)
where:
Base-Base interactions energy: -537.840
where: short stacking energy: -219.253
Base-Backbone interact. energy: -1.058
local terms energy: -256.993850
where:
bonds (distance) C4'-P energy: -57.388
bonds (distance) P-C4' energy: -61.131
flat angles C4'-P-C4' energy: -46.753
flat angles P-C4'-P energy: -35.134
tors. eta vs tors. theta energy: -56.588
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: 4
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -810.209059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.209059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.209059 (E_RNA)
where:
Base-Base interactions energy: -520.702
where: short stacking energy: -252.076
Base-Backbone interact. energy: -1.232
local terms energy: -288.274864
where:
bonds (distance) C4'-P energy: -63.410
bonds (distance) P-C4' energy: -62.349
flat angles C4'-P-C4' energy: -60.672
flat angles P-C4'-P energy: -39.525
tors. eta vs tors. theta energy: -62.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -512.351600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.351600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.351600 (E_RNA)
where:
Base-Base interactions energy: -310.283
where: short stacking energy: -147.094
Base-Backbone interact. energy: 1.446
local terms energy: -203.514114
where:
bonds (distance) C4'-P energy: -49.909
bonds (distance) P-C4' energy: -62.749
flat angles C4'-P-C4' energy: -45.932
flat angles P-C4'-P energy: -20.729
tors. eta vs tors. theta energy: -24.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -310.711415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.711415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.711415 (E_RNA)
where:
Base-Base interactions energy: -142.770
where: short stacking energy: -84.381
Base-Backbone interact. energy: 0.815
local terms energy: -168.755902
where:
bonds (distance) C4'-P energy: -47.928
bonds (distance) P-C4' energy: -53.910
flat angles C4'-P-C4' energy: -47.168
flat angles P-C4'-P energy: -30.623
tors. eta vs tors. theta energy: 10.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -1209.091253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.091253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.091253 (E_RNA)
where:
Base-Base interactions energy: -832.520
where: short stacking energy: -360.856
Base-Backbone interact. energy: -0.227
local terms energy: -376.344656
where:
bonds (distance) C4'-P energy: -63.596
bonds (distance) P-C4' energy: -70.370
flat angles C4'-P-C4' energy: -74.520
flat angles P-C4'-P energy: -51.232
tors. eta vs tors. theta energy: -116.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -1140.768033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.768033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.768033 (E_RNA)
where:
Base-Base interactions energy: -794.632
where: short stacking energy: -334.972
Base-Backbone interact. energy: 2.300
local terms energy: -348.436651
where:
bonds (distance) C4'-P energy: -59.634
bonds (distance) P-C4' energy: -67.054
flat angles C4'-P-C4' energy: -72.547
flat angles P-C4'-P energy: -52.242
tors. eta vs tors. theta energy: -96.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -1077.072964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.072964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.072964 (E_RNA)
where:
Base-Base interactions energy: -721.265
where: short stacking energy: -312.962
Base-Backbone interact. energy: -1.744
local terms energy: -354.064285
where:
bonds (distance) C4'-P energy: -61.923
bonds (distance) P-C4' energy: -78.040
flat angles C4'-P-C4' energy: -72.505
flat angles P-C4'-P energy: -52.491
tors. eta vs tors. theta energy: -89.106
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: 4, replica: 6
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -1024.331356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.331356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.331356 (E_RNA)
where:
Base-Base interactions energy: -708.647
where: short stacking energy: -282.889
Base-Backbone interact. energy: -1.149
local terms energy: -314.535980
where:
bonds (distance) C4'-P energy: -59.581
bonds (distance) P-C4' energy: -56.475
flat angles C4'-P-C4' energy: -69.539
flat angles P-C4'-P energy: -47.943
tors. eta vs tors. theta energy: -80.998
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: 5, replica: 3
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -999.166416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.166416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.166416 (E_RNA)
where:
Base-Base interactions energy: -684.183
where: short stacking energy: -298.518
Base-Backbone interact. energy: -0.354
local terms energy: -314.630068
where:
bonds (distance) C4'-P energy: -58.559
bonds (distance) P-C4' energy: -56.618
flat angles C4'-P-C4' energy: -66.444
flat angles P-C4'-P energy: -44.114
tors. eta vs tors. theta energy: -88.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -946.264645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.264645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.264645 (E_RNA)
where:
Base-Base interactions energy: -676.150
where: short stacking energy: -282.745
Base-Backbone interact. energy: -0.252
local terms energy: -269.861946
where:
bonds (distance) C4'-P energy: -45.523
bonds (distance) P-C4' energy: -49.435
flat angles C4'-P-C4' energy: -56.262
flat angles P-C4'-P energy: -46.213
tors. eta vs tors. theta energy: -72.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -844.883658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.883658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.883658 (E_RNA)
where:
Base-Base interactions energy: -553.351
where: short stacking energy: -247.791
Base-Backbone interact. energy: -0.603
local terms energy: -290.929870
where:
bonds (distance) C4'-P energy: -68.038
bonds (distance) P-C4' energy: -50.158
flat angles C4'-P-C4' energy: -62.818
flat angles P-C4'-P energy: -42.643
tors. eta vs tors. theta energy: -67.273
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: 9
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -780.052222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.052222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.052222 (E_RNA)
where:
Base-Base interactions energy: -520.380
where: short stacking energy: -223.061
Base-Backbone interact. energy: 1.314
local terms energy: -260.985944
where:
bonds (distance) C4'-P energy: -48.677
bonds (distance) P-C4' energy: -53.919
flat angles C4'-P-C4' energy: -63.734
flat angles P-C4'-P energy: -37.857
tors. eta vs tors. theta energy: -56.799
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: 5
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -539.219270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.219270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.219270 (E_RNA)
where:
Base-Base interactions energy: -317.615
where: short stacking energy: -151.172
Base-Backbone interact. energy: -0.873
local terms energy: -220.732093
where:
bonds (distance) C4'-P energy: -52.801
bonds (distance) P-C4' energy: -59.140
flat angles C4'-P-C4' energy: -54.966
flat angles P-C4'-P energy: -39.063
tors. eta vs tors. theta energy: -14.761
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: 10, replica: 7
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -323.359818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.359818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.359818 (E_RNA)
where:
Base-Base interactions energy: -121.072
where: short stacking energy: -82.547
Base-Backbone interact. energy: -2.258
local terms energy: -200.030378
where:
bonds (distance) C4'-P energy: -53.424
bonds (distance) P-C4' energy: -62.414
flat angles C4'-P-C4' energy: -43.382
flat angles P-C4'-P energy: -43.512
tors. eta vs tors. theta energy: 2.702
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: 1
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -1194.527356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.527356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.527356 (E_RNA)
where:
Base-Base interactions energy: -835.743
where: short stacking energy: -367.359
Base-Backbone interact. energy: -1.503
local terms energy: -357.280812
where:
bonds (distance) C4'-P energy: -58.673
bonds (distance) P-C4' energy: -60.559
flat angles C4'-P-C4' energy: -76.437
flat angles P-C4'-P energy: -43.336
tors. eta vs tors. theta energy: -118.276
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: 2
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -1137.585631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.585631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.585631 (E_RNA)
where:
Base-Base interactions energy: -784.270
where: short stacking energy: -341.104
Base-Backbone interact. energy: -1.981
local terms energy: -351.334381
where:
bonds (distance) C4'-P energy: -64.629
bonds (distance) P-C4' energy: -68.537
flat angles C4'-P-C4' energy: -69.537
flat angles P-C4'-P energy: -51.790
tors. eta vs tors. theta energy: -96.840
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: 10
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -1092.143487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.143487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.143487 (E_RNA)
where:
Base-Base interactions energy: -765.213
where: short stacking energy: -320.439
Base-Backbone interact. energy: -0.767
local terms energy: -326.163708
where:
bonds (distance) C4'-P energy: -56.629
bonds (distance) P-C4' energy: -60.129
flat angles C4'-P-C4' energy: -70.605
flat angles P-C4'-P energy: -47.843
tors. eta vs tors. theta energy: -90.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -1051.982602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.982602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.982602 (E_RNA)
where:
Base-Base interactions energy: -722.000
where: short stacking energy: -308.336
Base-Backbone interact. energy: -0.849
local terms energy: -329.133306
where:
bonds (distance) C4'-P energy: -65.151
bonds (distance) P-C4' energy: -60.553
flat angles C4'-P-C4' energy: -68.607
flat angles P-C4'-P energy: -48.220
tors. eta vs tors. theta energy: -86.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -978.103870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.103870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.103870 (E_RNA)
where:
Base-Base interactions energy: -677.941
where: short stacking energy: -300.313
Base-Backbone interact. energy: 0.063
local terms energy: -300.226429
where:
bonds (distance) C4'-P energy: -56.154
bonds (distance) P-C4' energy: -60.970
flat angles C4'-P-C4' energy: -65.017
flat angles P-C4'-P energy: -43.133
tors. eta vs tors. theta energy: -74.952
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: 8
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -886.358738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.358738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.358738 (E_RNA)
where:
Base-Base interactions energy: -609.691
where: short stacking energy: -236.843
Base-Backbone interact. energy: -1.063
local terms energy: -275.604651
where:
bonds (distance) C4'-P energy: -62.428
bonds (distance) P-C4' energy: -48.839
flat angles C4'-P-C4' energy: -66.435
flat angles P-C4'-P energy: -39.690
tors. eta vs tors. theta energy: -58.212
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: 4
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -799.566739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.566739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.566739 (E_RNA)
where:
Base-Base interactions energy: -535.466
where: short stacking energy: -235.703
Base-Backbone interact. energy: 0.909
local terms energy: -265.010270
where:
bonds (distance) C4'-P energy: -57.525
bonds (distance) P-C4' energy: -58.963
flat angles C4'-P-C4' energy: -58.681
flat angles P-C4'-P energy: -38.897
tors. eta vs tors. theta energy: -50.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -786.623687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.623687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.623687 (E_RNA)
where:
Base-Base interactions energy: -493.097
where: short stacking energy: -220.043
Base-Backbone interact. energy: -0.516
local terms energy: -293.010259
where:
bonds (distance) C4'-P energy: -53.090
bonds (distance) P-C4' energy: -67.100
flat angles C4'-P-C4' energy: -61.124
flat angles P-C4'-P energy: -44.466
tors. eta vs tors. theta energy: -67.230
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: 5
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -540.703554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.703554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.703554 (E_RNA)
where:
Base-Base interactions energy: -332.201
where: short stacking energy: -159.141
Base-Backbone interact. energy: 1.284
local terms energy: -209.786743
where:
bonds (distance) C4'-P energy: -47.162
bonds (distance) P-C4' energy: -53.039
flat angles C4'-P-C4' energy: -59.170
flat angles P-C4'-P energy: -32.578
tors. eta vs tors. theta energy: -17.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -261.072088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.072088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.072088 (E_RNA)
where:
Base-Base interactions energy: -99.150
where: short stacking energy: -85.577
Base-Backbone interact. energy: 4.123
local terms energy: -166.045489
where:
bonds (distance) C4'-P energy: -45.349
bonds (distance) P-C4' energy: -63.144
flat angles C4'-P-C4' energy: -56.278
flat angles P-C4'-P energy: -16.195
tors. eta vs tors. theta energy: 14.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -1206.124175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.124175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.124175 (E_RNA)
where:
Base-Base interactions energy: -826.649
where: short stacking energy: -379.036
Base-Backbone interact. energy: -1.336
local terms energy: -378.139092
where:
bonds (distance) C4'-P energy: -67.115
bonds (distance) P-C4' energy: -64.850
flat angles C4'-P-C4' energy: -78.403
flat angles P-C4'-P energy: -53.840
tors. eta vs tors. theta energy: -113.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -1157.981178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.981178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.981178 (E_RNA)
where:
Base-Base interactions energy: -800.724
where: short stacking energy: -361.422
Base-Backbone interact. energy: 0.336
local terms energy: -357.592754
where:
bonds (distance) C4'-P energy: -63.270
bonds (distance) P-C4' energy: -69.916
flat angles C4'-P-C4' energy: -80.597
flat angles P-C4'-P energy: -44.915
tors. eta vs tors. theta energy: -98.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -1123.981997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.981997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.981997 (E_RNA)
where:
Base-Base interactions energy: -785.398
where: short stacking energy: -337.241
Base-Backbone interact. energy: 0.925
local terms energy: -339.509123
where:
bonds (distance) C4'-P energy: -59.502
bonds (distance) P-C4' energy: -65.391
flat angles C4'-P-C4' energy: -66.207
flat angles P-C4'-P energy: -49.250
tors. eta vs tors. theta energy: -99.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -1045.471056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.471056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.471056 (E_RNA)
where:
Base-Base interactions energy: -711.552
where: short stacking energy: -321.460
Base-Backbone interact. energy: 1.117
local terms energy: -335.035962
where:
bonds (distance) C4'-P energy: -65.084
bonds (distance) P-C4' energy: -53.785
flat angles C4'-P-C4' energy: -76.090
flat angles P-C4'-P energy: -51.325
tors. eta vs tors. theta energy: -88.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -978.380052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.380052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.380052 (E_RNA)
where:
Base-Base interactions energy: -676.972
where: short stacking energy: -282.699
Base-Backbone interact. energy: -1.377
local terms energy: -300.031578
where:
bonds (distance) C4'-P energy: -43.363
bonds (distance) P-C4' energy: -65.448
flat angles C4'-P-C4' energy: -68.677
flat angles P-C4'-P energy: -40.594
tors. eta vs tors. theta energy: -81.949
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: 8
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -900.349168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.349168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.349168 (E_RNA)
where:
Base-Base interactions energy: -615.687
where: short stacking energy: -271.646
Base-Backbone interact. energy: 0.649
local terms energy: -285.311511
where:
bonds (distance) C4'-P energy: -63.386
bonds (distance) P-C4' energy: -60.451
flat angles C4'-P-C4' energy: -58.301
flat angles P-C4'-P energy: -31.292
tors. eta vs tors. theta energy: -71.882
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: 466
Temperature: 1.200000
Total energy: -820.058363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.058363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.058363 (E_RNA)
where:
Base-Base interactions energy: -542.276
where: short stacking energy: -232.737
Base-Backbone interact. energy: -1.776
local terms energy: -276.006611
where:
bonds (distance) C4'-P energy: -57.557
bonds (distance) P-C4' energy: -62.887
flat angles C4'-P-C4' energy: -59.136
flat angles P-C4'-P energy: -36.500
tors. eta vs tors. theta energy: -59.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -722.010606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.010606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.010606 (E_RNA)
where:
Base-Base interactions energy: -471.620
where: short stacking energy: -219.286
Base-Backbone interact. energy: 3.225
local terms energy: -253.615217
where:
bonds (distance) C4'-P energy: -61.657
bonds (distance) P-C4' energy: -56.891
flat angles C4'-P-C4' energy: -61.248
flat angles P-C4'-P energy: -29.980
tors. eta vs tors. theta energy: -43.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -562.372522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.372522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.372522 (E_RNA)
where:
Base-Base interactions energy: -340.238
where: short stacking energy: -175.136
Base-Backbone interact. energy: 0.351
local terms energy: -222.484677
where:
bonds (distance) C4'-P energy: -59.068
bonds (distance) P-C4' energy: -75.586
flat angles C4'-P-C4' energy: -51.160
flat angles P-C4'-P energy: -19.074
tors. eta vs tors. theta energy: -17.597
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: 7
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -287.925446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.925446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.925446 (E_RNA)
where:
Base-Base interactions energy: -83.114
where: short stacking energy: -73.944
Base-Backbone interact. energy: -0.405
local terms energy: -204.405805
where:
bonds (distance) C4'-P energy: -54.448
bonds (distance) P-C4' energy: -67.084
flat angles C4'-P-C4' energy: -50.569
flat angles P-C4'-P energy: -35.411
tors. eta vs tors. theta energy: 3.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -1188.952235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.952235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.952235 (E_RNA)
where:
Base-Base interactions energy: -830.235
where: short stacking energy: -362.018
Base-Backbone interact. energy: -0.751
local terms energy: -357.966617
where:
bonds (distance) C4'-P energy: -64.768
bonds (distance) P-C4' energy: -63.156
flat angles C4'-P-C4' energy: -79.744
flat angles P-C4'-P energy: -36.747
tors. eta vs tors. theta energy: -113.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -1129.317502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.317502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.317502 (E_RNA)
where:
Base-Base interactions energy: -781.656
where: short stacking energy: -345.232
Base-Backbone interact. energy: -1.371
local terms energy: -346.290483
where:
bonds (distance) C4'-P energy: -67.245
bonds (distance) P-C4' energy: -59.014
flat angles C4'-P-C4' energy: -76.753
flat angles P-C4'-P energy: -46.034
tors. eta vs tors. theta energy: -97.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -1081.842760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.842760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.842760 (E_RNA)
where:
Base-Base interactions energy: -749.779
where: short stacking energy: -331.989
Base-Backbone interact. energy: -1.414
local terms energy: -330.649466
where:
bonds (distance) C4'-P energy: -55.897
bonds (distance) P-C4' energy: -60.127
flat angles C4'-P-C4' energy: -69.089
flat angles P-C4'-P energy: -47.445
tors. eta vs tors. theta energy: -98.092
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: 4, replica: 6
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -1031.460747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.460747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.460747 (E_RNA)
where:
Base-Base interactions energy: -714.308
where: short stacking energy: -296.969
Base-Backbone interact. energy: -1.391
local terms energy: -315.762197
where:
bonds (distance) C4'-P energy: -54.409
bonds (distance) P-C4' energy: -67.792
flat angles C4'-P-C4' energy: -68.635
flat angles P-C4'-P energy: -44.841
tors. eta vs tors. theta energy: -80.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -965.044189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.044189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.044189 (E_RNA)
where:
Base-Base interactions energy: -662.197
where: short stacking energy: -292.429
Base-Backbone interact. energy: -0.056
local terms energy: -302.791100
where:
bonds (distance) C4'-P energy: -62.001
bonds (distance) P-C4' energy: -59.973
flat angles C4'-P-C4' energy: -63.904
flat angles P-C4'-P energy: -39.115
tors. eta vs tors. theta energy: -77.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -920.043157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.043157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.043157 (E_RNA)
where:
Base-Base interactions energy: -643.971
where: short stacking energy: -262.813
Base-Backbone interact. energy: -1.141
local terms energy: -274.931706
where:
bonds (distance) C4'-P energy: -50.935
bonds (distance) P-C4' energy: -58.878
flat angles C4'-P-C4' energy: -52.415
flat angles P-C4'-P energy: -46.551
tors. eta vs tors. theta energy: -66.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -894.450435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.450435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.450435 (E_RNA)
where:
Base-Base interactions energy: -601.160
where: short stacking energy: -257.757
Base-Backbone interact. energy: -0.697
local terms energy: -292.593587
where:
bonds (distance) C4'-P energy: -58.894
bonds (distance) P-C4' energy: -52.740
flat angles C4'-P-C4' energy: -76.632
flat angles P-C4'-P energy: -31.355
tors. eta vs tors. theta energy: -72.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -714.413815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.413815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.413815 (E_RNA)
where:
Base-Base interactions energy: -467.540
where: short stacking energy: -211.760
Base-Backbone interact. energy: 4.393
local terms energy: -251.266743
where:
bonds (distance) C4'-P energy: -43.902
bonds (distance) P-C4' energy: -60.249
flat angles C4'-P-C4' energy: -65.544
flat angles P-C4'-P energy: -36.757
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: 9, replica: 5
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -586.738056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.738056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.738056 (E_RNA)
where:
Base-Base interactions energy: -366.596
where: short stacking energy: -185.635
Base-Backbone interact. energy: -0.681
local terms energy: -219.460789
where:
bonds (distance) C4'-P energy: -45.673
bonds (distance) P-C4' energy: -58.938
flat angles C4'-P-C4' energy: -55.931
flat angles P-C4'-P energy: -32.685
tors. eta vs tors. theta energy: -26.234
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: 7
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -262.640801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.640801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.640801 (E_RNA)
where:
Base-Base interactions energy: -89.374
where: short stacking energy: -79.852
Base-Backbone interact. energy: 2.727
local terms energy: -175.993161
where:
bonds (distance) C4'-P energy: -45.313
bonds (distance) P-C4' energy: -65.103
flat angles C4'-P-C4' energy: -49.835
flat angles P-C4'-P energy: -29.949
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: 1, replica: 1
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -1202.850967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.850967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.850967 (E_RNA)
where:
Base-Base interactions energy: -825.942
where: short stacking energy: -378.535
Base-Backbone interact. energy: -1.023
local terms energy: -375.886095
where:
bonds (distance) C4'-P energy: -64.397
bonds (distance) P-C4' energy: -66.691
flat angles C4'-P-C4' energy: -75.715
flat angles P-C4'-P energy: -54.483
tors. eta vs tors. theta energy: -114.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -1151.867078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.867078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.867078 (E_RNA)
where:
Base-Base interactions energy: -820.242
where: short stacking energy: -354.794
Base-Backbone interact. energy: 1.390
local terms energy: -333.015111
where:
bonds (distance) C4'-P energy: -53.040
bonds (distance) P-C4' energy: -55.794
flat angles C4'-P-C4' energy: -70.400
flat angles P-C4'-P energy: -50.307
tors. eta vs tors. theta energy: -103.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -1112.108726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.108726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.108726 (E_RNA)
where:
Base-Base interactions energy: -789.179
where: short stacking energy: -330.645
Base-Backbone interact. energy: 3.344
local terms energy: -326.273665
where:
bonds (distance) C4'-P energy: -63.106
bonds (distance) P-C4' energy: -59.969
flat angles C4'-P-C4' energy: -72.275
flat angles P-C4'-P energy: -43.043
tors. eta vs tors. theta energy: -87.881
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: 6
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -1001.209570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.209570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.209570 (E_RNA)
where:
Base-Base interactions energy: -679.910
where: short stacking energy: -288.253
Base-Backbone interact. energy: -0.895
local terms energy: -320.404409
where:
bonds (distance) C4'-P energy: -60.408
bonds (distance) P-C4' energy: -60.770
flat angles C4'-P-C4' energy: -79.690
flat angles P-C4'-P energy: -44.972
tors. eta vs tors. theta energy: -74.565
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: 3
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -969.406644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.406644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.406644 (E_RNA)
where:
Base-Base interactions energy: -670.704
where: short stacking energy: -299.753
Base-Backbone interact. energy: -1.582
local terms energy: -297.120495
where:
bonds (distance) C4'-P energy: -47.742
bonds (distance) P-C4' energy: -65.646
flat angles C4'-P-C4' energy: -64.620
flat angles P-C4'-P energy: -36.607
tors. eta vs tors. theta energy: -82.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -921.428004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.428004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.428004 (E_RNA)
where:
Base-Base interactions energy: -667.054
where: short stacking energy: -281.769
Base-Backbone interact. energy: 0.632
local terms energy: -255.005963
where:
bonds (distance) C4'-P energy: -45.332
bonds (distance) P-C4' energy: -49.736
flat angles C4'-P-C4' energy: -58.093
flat angles P-C4'-P energy: -31.230
tors. eta vs tors. theta energy: -70.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -856.416323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.416323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.416323 (E_RNA)
where:
Base-Base interactions energy: -572.329
where: short stacking energy: -254.977
Base-Backbone interact. energy: -1.026
local terms energy: -283.061708
where:
bonds (distance) C4'-P energy: -47.918
bonds (distance) P-C4' energy: -62.744
flat angles C4'-P-C4' energy: -61.452
flat angles P-C4'-P energy: -38.478
tors. eta vs tors. theta energy: -72.470
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: 4
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -745.717229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.717229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.717229 (E_RNA)
where:
Base-Base interactions energy: -495.474
where: short stacking energy: -230.834
Base-Backbone interact. energy: -0.989
local terms energy: -249.254637
where:
bonds (distance) C4'-P energy: -51.547
bonds (distance) P-C4' energy: -52.178
flat angles C4'-P-C4' energy: -48.141
flat angles P-C4'-P energy: -40.024
tors. eta vs tors. theta energy: -57.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -528.177413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.177413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.177413 (E_RNA)
where:
Base-Base interactions energy: -311.537
where: short stacking energy: -162.127
Base-Backbone interact. energy: 6.649
local terms energy: -223.288817
where:
bonds (distance) C4'-P energy: -49.302
bonds (distance) P-C4' energy: -64.843
flat angles C4'-P-C4' energy: -43.138
flat angles P-C4'-P energy: -35.153
tors. eta vs tors. theta energy: -30.853
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: 7
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -291.838368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.838368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.838368 (E_RNA)
where:
Base-Base interactions energy: -104.808
where: short stacking energy: -92.877
Base-Backbone interact. energy: 0.696
local terms energy: -187.725822
where:
bonds (distance) C4'-P energy: -50.386
bonds (distance) P-C4' energy: -61.875
flat angles C4'-P-C4' energy: -57.249
flat angles P-C4'-P energy: -17.681
tors. eta vs tors. theta energy: -0.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -1193.137895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.137895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.137895 (E_RNA)
where:
Base-Base interactions energy: -823.214
where: short stacking energy: -372.123
Base-Backbone interact. energy: -0.362
local terms energy: -369.561893
where:
bonds (distance) C4'-P energy: -62.869
bonds (distance) P-C4' energy: -65.961
flat angles C4'-P-C4' energy: -76.408
flat angles P-C4'-P energy: -51.547
tors. eta vs tors. theta energy: -112.776
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: 10
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -1150.390432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.390432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.390432 (E_RNA)
where:
Base-Base interactions energy: -798.387
where: short stacking energy: -337.117
Base-Backbone interact. energy: -1.323
local terms energy: -350.679990
where:
bonds (distance) C4'-P energy: -62.820
bonds (distance) P-C4' energy: -73.278
flat angles C4'-P-C4' energy: -66.353
flat angles P-C4'-P energy: -54.100
tors. eta vs tors. theta energy: -94.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -1095.023842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.023842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.023842 (E_RNA)
where:
Base-Base interactions energy: -754.052
where: short stacking energy: -342.726
Base-Backbone interact. energy: -1.548
local terms energy: -339.424677
where:
bonds (distance) C4'-P energy: -62.263
bonds (distance) P-C4' energy: -52.919
flat angles C4'-P-C4' energy: -72.179
flat angles P-C4'-P energy: -50.904
tors. eta vs tors. theta energy: -101.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -1022.010015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.010015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.010015 (E_RNA)
where:
Base-Base interactions energy: -718.795
where: short stacking energy: -288.313
Base-Backbone interact. energy: -0.237
local terms energy: -302.978309
where:
bonds (distance) C4'-P energy: -65.723
bonds (distance) P-C4' energy: -59.778
flat angles C4'-P-C4' energy: -54.543
flat angles P-C4'-P energy: -39.416
tors. eta vs tors. theta energy: -83.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -957.895501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.895501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.895501 (E_RNA)
where:
Base-Base interactions energy: -664.422
where: short stacking energy: -280.649
Base-Backbone interact. energy: -0.114
local terms energy: -293.359578
where:
bonds (distance) C4'-P energy: -58.342
bonds (distance) P-C4' energy: -53.733
flat angles C4'-P-C4' energy: -67.932
flat angles P-C4'-P energy: -37.582
tors. eta vs tors. theta energy: -75.771
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: 8
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -911.688379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.688379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.688379 (E_RNA)
where:
Base-Base interactions energy: -634.992
where: short stacking energy: -263.651
Base-Backbone interact. energy: 1.908
local terms energy: -278.604574
where:
bonds (distance) C4'-P energy: -56.071
bonds (distance) P-C4' energy: -57.761
flat angles C4'-P-C4' energy: -52.584
flat angles P-C4'-P energy: -31.542
tors. eta vs tors. theta energy: -80.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -878.782716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.782716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.782716 (E_RNA)
where:
Base-Base interactions energy: -606.240
where: short stacking energy: -260.441
Base-Backbone interact. energy: -1.041
local terms energy: -271.501499
where:
bonds (distance) C4'-P energy: -53.933
bonds (distance) P-C4' energy: -46.632
flat angles C4'-P-C4' energy: -60.183
flat angles P-C4'-P energy: -38.756
tors. eta vs tors. theta energy: -71.997
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: 8, replica: 4
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -712.086184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.086184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.086184 (E_RNA)
where:
Base-Base interactions energy: -475.790
where: short stacking energy: -195.224
Base-Backbone interact. energy: 0.759
local terms energy: -237.056115
where:
bonds (distance) C4'-P energy: -51.974
bonds (distance) P-C4' energy: -55.514
flat angles C4'-P-C4' energy: -57.431
flat angles P-C4'-P energy: -31.472
tors. eta vs tors. theta energy: -40.666
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: 5
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -587.163534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.163534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.163534 (E_RNA)
where:
Base-Base interactions energy: -377.294
where: short stacking energy: -158.622
Base-Backbone interact. energy: 1.348
local terms energy: -211.217458
where:
bonds (distance) C4'-P energy: -41.225
bonds (distance) P-C4' energy: -51.328
flat angles C4'-P-C4' energy: -52.904
flat angles P-C4'-P energy: -31.105
tors. eta vs tors. theta energy: -34.655
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: 7
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -271.022497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.022497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.022497 (E_RNA)
where:
Base-Base interactions energy: -94.459
where: short stacking energy: -79.034
Base-Backbone interact. energy: -1.380
local terms energy: -175.184099
where:
bonds (distance) C4'-P energy: -58.123
bonds (distance) P-C4' energy: -63.632
flat angles C4'-P-C4' energy: -39.281
flat angles P-C4'-P energy: -26.534
tors. eta vs tors. theta energy: 12.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -1191.981047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.981047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.981047 (E_RNA)
where:
Base-Base interactions energy: -815.038
where: short stacking energy: -360.745
Base-Backbone interact. energy: -0.229
local terms energy: -376.713637
where:
bonds (distance) C4'-P energy: -65.203
bonds (distance) P-C4' energy: -70.869
flat angles C4'-P-C4' energy: -74.886
flat angles P-C4'-P energy: -52.883
tors. eta vs tors. theta energy: -112.873
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: 10
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -1121.402237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.402237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.402237 (E_RNA)
where:
Base-Base interactions energy: -785.083
where: short stacking energy: -327.682
Base-Backbone interact. energy: -0.414
local terms energy: -335.905002
where:
bonds (distance) C4'-P energy: -61.423
bonds (distance) P-C4' energy: -56.414
flat angles C4'-P-C4' energy: -69.550
flat angles P-C4'-P energy: -55.298
tors. eta vs tors. theta energy: -93.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -1093.887190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.887190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.887190 (E_RNA)
where:
Base-Base interactions energy: -752.191
where: short stacking energy: -340.787
Base-Backbone interact. energy: -1.528
local terms energy: -340.168650
where:
bonds (distance) C4'-P energy: -62.058
bonds (distance) P-C4' energy: -62.159
flat angles C4'-P-C4' energy: -71.216
flat angles P-C4'-P energy: -46.327
tors. eta vs tors. theta energy: -98.408
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: 4, replica: 6
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -1059.903800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.903800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.903800 (E_RNA)
where:
Base-Base interactions energy: -741.146
where: short stacking energy: -299.153
Base-Backbone interact. energy: -3.981
local terms energy: -314.776655
where:
bonds (distance) C4'-P energy: -54.581
bonds (distance) P-C4' energy: -67.573
flat angles C4'-P-C4' energy: -64.932
flat angles P-C4'-P energy: -44.602
tors. eta vs tors. theta energy: -83.089
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: 3
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -958.663564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.663564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.663564 (E_RNA)
where:
Base-Base interactions energy: -657.803
where: short stacking energy: -278.550
Base-Backbone interact. energy: -1.389
local terms energy: -299.471473
where:
bonds (distance) C4'-P energy: -60.689
bonds (distance) P-C4' energy: -65.391
flat angles C4'-P-C4' energy: -62.817
flat angles P-C4'-P energy: -39.235
tors. eta vs tors. theta energy: -71.340
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: 6, replica: 8
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -894.146714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.146714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.146714 (E_RNA)
where:
Base-Base interactions energy: -602.304
where: short stacking energy: -240.715
Base-Backbone interact. energy: -0.182
local terms energy: -291.660375
where:
bonds (distance) C4'-P energy: -65.560
bonds (distance) P-C4' energy: -71.049
flat angles C4'-P-C4' energy: -52.358
flat angles P-C4'-P energy: -33.878
tors. eta vs tors. theta energy: -68.815
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: 9
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -854.886892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.886892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.886892 (E_RNA)
where:
Base-Base interactions energy: -565.429
where: short stacking energy: -248.921
Base-Backbone interact. energy: -0.999
local terms energy: -288.458733
where:
bonds (distance) C4'-P energy: -53.880
bonds (distance) P-C4' energy: -54.078
flat angles C4'-P-C4' energy: -68.822
flat angles P-C4'-P energy: -42.025
tors. eta vs tors. theta energy: -69.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -777.049599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.049599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.049599 (E_RNA)
where:
Base-Base interactions energy: -526.549
where: short stacking energy: -233.968
Base-Backbone interact. energy: -1.232
local terms energy: -249.268018
where:
bonds (distance) C4'-P energy: -47.904
bonds (distance) P-C4' energy: -48.795
flat angles C4'-P-C4' energy: -60.629
flat angles P-C4'-P energy: -28.898
tors. eta vs tors. theta energy: -63.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -578.218613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.218613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.218613 (E_RNA)
where:
Base-Base interactions energy: -371.810
where: short stacking energy: -174.533
Base-Backbone interact. energy: 2.995
local terms energy: -209.404114
where:
bonds (distance) C4'-P energy: -48.593
bonds (distance) P-C4' energy: -48.089
flat angles C4'-P-C4' energy: -47.698
flat angles P-C4'-P energy: -31.589
tors. eta vs tors. theta energy: -33.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -285.837074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.837074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.837074 (E_RNA)
where:
Base-Base interactions energy: -132.222
where: short stacking energy: -79.771
Base-Backbone interact. energy: 0.124
local terms energy: -153.739745
where:
bonds (distance) C4'-P energy: -53.878
bonds (distance) P-C4' energy: -45.234
flat angles C4'-P-C4' energy: -35.276
flat angles P-C4'-P energy: -35.034
tors. eta vs tors. theta energy: 15.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -1195.472724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.472724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.472724 (E_RNA)
where:
Base-Base interactions energy: -827.804
where: short stacking energy: -369.906
Base-Backbone interact. energy: -0.591
local terms energy: -367.077686
where:
bonds (distance) C4'-P energy: -73.266
bonds (distance) P-C4' energy: -64.454
flat angles C4'-P-C4' energy: -74.833
flat angles P-C4'-P energy: -44.314
tors. eta vs tors. theta energy: -110.210
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: 471
Temperature: 0.950000
Total energy: -1124.469969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.469969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.469969 (E_RNA)
where:
Base-Base interactions energy: -782.962
where: short stacking energy: -343.956
Base-Backbone interact. energy: -0.846
local terms energy: -340.662095
where:
bonds (distance) C4'-P energy: -62.387
bonds (distance) P-C4' energy: -67.391
flat angles C4'-P-C4' energy: -72.582
flat angles P-C4'-P energy: -47.650
tors. eta vs tors. theta energy: -90.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -1103.641019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.641019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.641019 (E_RNA)
where:
Base-Base interactions energy: -747.949
where: short stacking energy: -320.721
Base-Backbone interact. energy: 0.315
local terms energy: -356.007198
where:
bonds (distance) C4'-P energy: -60.438
bonds (distance) P-C4' energy: -66.317
flat angles C4'-P-C4' energy: -77.576
flat angles P-C4'-P energy: -57.207
tors. eta vs tors. theta energy: -94.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -1066.776143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.776143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.776143 (E_RNA)
where:
Base-Base interactions energy: -739.352
where: short stacking energy: -315.646
Base-Backbone interact. energy: -2.987
local terms energy: -324.437886
where:
bonds (distance) C4'-P energy: -50.730
bonds (distance) P-C4' energy: -62.499
flat angles C4'-P-C4' energy: -76.491
flat angles P-C4'-P energy: -42.194
tors. eta vs tors. theta energy: -92.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -999.739506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.739506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.739506 (E_RNA)
where:
Base-Base interactions energy: -690.180
where: short stacking energy: -295.083
Base-Backbone interact. energy: 2.178
local terms energy: -311.737629
where:
bonds (distance) C4'-P energy: -63.209
bonds (distance) P-C4' energy: -63.365
flat angles C4'-P-C4' energy: -67.463
flat angles P-C4'-P energy: -40.152
tors. eta vs tors. theta energy: -77.549
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: 471
Temperature: 1.150000
Total energy: -917.029215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.029215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.029215 (E_RNA)
where:
Base-Base interactions energy: -637.350
where: short stacking energy: -260.180
Base-Backbone interact. energy: -0.993
local terms energy: -278.686211
where:
bonds (distance) C4'-P energy: -63.613
bonds (distance) P-C4' energy: -58.990
flat angles C4'-P-C4' energy: -54.477
flat angles P-C4'-P energy: -40.782
tors. eta vs tors. theta energy: -60.825
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: 9
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -818.761071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.761071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.761071 (E_RNA)
where:
Base-Base interactions energy: -539.054
where: short stacking energy: -241.040
Base-Backbone interact. energy: -2.642
local terms energy: -277.065323
where:
bonds (distance) C4'-P energy: -64.081
bonds (distance) P-C4' energy: -52.420
flat angles C4'-P-C4' energy: -62.156
flat angles P-C4'-P energy: -43.921
tors. eta vs tors. theta energy: -54.487
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: 4
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -781.492670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.492670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.492670 (E_RNA)
where:
Base-Base interactions energy: -537.694
where: short stacking energy: -245.056
Base-Backbone interact. energy: -0.033
local terms energy: -243.764722
where:
bonds (distance) C4'-P energy: -41.205
bonds (distance) P-C4' energy: -57.054
flat angles C4'-P-C4' energy: -55.796
flat angles P-C4'-P energy: -23.507
tors. eta vs tors. theta energy: -66.203
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: 5
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -539.186250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.186250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.186250 (E_RNA)
where:
Base-Base interactions energy: -325.901
where: short stacking energy: -165.871
Base-Backbone interact. energy: -0.814
local terms energy: -212.471220
where:
bonds (distance) C4'-P energy: -54.760
bonds (distance) P-C4' energy: -52.635
flat angles C4'-P-C4' energy: -44.867
flat angles P-C4'-P energy: -27.656
tors. eta vs tors. theta energy: -32.554
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: 7
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -284.012981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.012981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.012981 (E_RNA)
where:
Base-Base interactions energy: -83.258
where: short stacking energy: -70.750
Base-Backbone interact. energy: -0.389
local terms energy: -200.365378
where:
bonds (distance) C4'-P energy: -58.846
bonds (distance) P-C4' energy: -63.927
flat angles C4'-P-C4' energy: -50.899
flat angles P-C4'-P energy: -35.899
tors. eta vs tors. theta energy: 9.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -1179.088858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.088858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.088858 (E_RNA)
where:
Base-Base interactions energy: -805.005
where: short stacking energy: -365.945
Base-Backbone interact. energy: 0.488
local terms energy: -374.571284
where:
bonds (distance) C4'-P energy: -68.153
bonds (distance) P-C4' energy: -64.239
flat angles C4'-P-C4' energy: -79.010
flat angles P-C4'-P energy: -53.614
tors. eta vs tors. theta energy: -109.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -1112.449621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.449621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.449621 (E_RNA)
where:
Base-Base interactions energy: -767.205
where: short stacking energy: -337.339
Base-Backbone interact. energy: -1.777
local terms energy: -343.468184
where:
bonds (distance) C4'-P energy: -60.219
bonds (distance) P-C4' energy: -63.729
flat angles C4'-P-C4' energy: -73.890
flat angles P-C4'-P energy: -51.021
tors. eta vs tors. theta energy: -94.610
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: 472
Temperature: 1.000000
Total energy: -1120.082654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.082654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.082654 (E_RNA)
where:
Base-Base interactions energy: -772.402
where: short stacking energy: -343.133
Base-Backbone interact. energy: -1.135
local terms energy: -346.544998
where:
bonds (distance) C4'-P energy: -65.218
bonds (distance) P-C4' energy: -62.348
flat angles C4'-P-C4' energy: -68.660
flat angles P-C4'-P energy: -49.615
tors. eta vs tors. theta energy: -100.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -1080.104874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.104874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.104874 (E_RNA)
where:
Base-Base interactions energy: -773.547
where: short stacking energy: -327.666
Base-Backbone interact. energy: -0.250
local terms energy: -306.307918
where:
bonds (distance) C4'-P energy: -46.952
bonds (distance) P-C4' energy: -53.437
flat angles C4'-P-C4' energy: -76.891
flat angles P-C4'-P energy: -45.006
tors. eta vs tors. theta energy: -84.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -962.376591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.376591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.376591 (E_RNA)
where:
Base-Base interactions energy: -662.034
where: short stacking energy: -283.363
Base-Backbone interact. energy: -0.811
local terms energy: -299.531574
where:
bonds (distance) C4'-P energy: -58.420
bonds (distance) P-C4' energy: -57.718
flat angles C4'-P-C4' energy: -68.074
flat angles P-C4'-P energy: -39.458
tors. eta vs tors. theta energy: -75.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -924.928285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.928285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.928285 (E_RNA)
where:
Base-Base interactions energy: -646.514
where: short stacking energy: -270.962
Base-Backbone interact. energy: 0.527
local terms energy: -278.941801
where:
bonds (distance) C4'-P energy: -57.926
bonds (distance) P-C4' energy: -58.610
flat angles C4'-P-C4' energy: -52.364
flat angles P-C4'-P energy: -41.182
tors. eta vs tors. theta energy: -68.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -833.983258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.983258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.983258 (E_RNA)
where:
Base-Base interactions energy: -575.314
where: short stacking energy: -228.960
Base-Backbone interact. energy: -0.785
local terms energy: -257.884417
where:
bonds (distance) C4'-P energy: -55.778
bonds (distance) P-C4' energy: -57.501
flat angles C4'-P-C4' energy: -56.030
flat angles P-C4'-P energy: -37.103
tors. eta vs tors. theta energy: -51.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -732.013818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.013818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.013818 (E_RNA)
where:
Base-Base interactions energy: -487.899
where: short stacking energy: -221.110
Base-Backbone interact. energy: -1.119
local terms energy: -242.995139
where:
bonds (distance) C4'-P energy: -54.556
bonds (distance) P-C4' energy: -62.330
flat angles C4'-P-C4' energy: -53.155
flat angles P-C4'-P energy: -21.530
tors. eta vs tors. theta energy: -51.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -575.946103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.946103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.946103 (E_RNA)
where:
Base-Base interactions energy: -359.895
where: short stacking energy: -174.328
Base-Backbone interact. energy: 2.245
local terms energy: -218.295418
where:
bonds (distance) C4'-P energy: -43.619
bonds (distance) P-C4' energy: -56.377
flat angles C4'-P-C4' energy: -52.485
flat angles P-C4'-P energy: -27.015
tors. eta vs tors. theta energy: -38.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -300.585953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.585953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.585953 (E_RNA)
where:
Base-Base interactions energy: -116.914
where: short stacking energy: -96.899
Base-Backbone interact. energy: 0.026
local terms energy: -183.697719
where:
bonds (distance) C4'-P energy: -47.565
bonds (distance) P-C4' energy: -55.411
flat angles C4'-P-C4' energy: -49.614
flat angles P-C4'-P energy: -34.685
tors. eta vs tors. theta energy: 3.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -1186.201333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.201333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.201333 (E_RNA)
where:
Base-Base interactions energy: -821.483
where: short stacking energy: -385.269
Base-Backbone interact. energy: -1.700
local terms energy: -363.018357
where:
bonds (distance) C4'-P energy: -67.173
bonds (distance) P-C4' energy: -67.541
flat angles C4'-P-C4' energy: -74.530
flat angles P-C4'-P energy: -37.998
tors. eta vs tors. theta energy: -115.776
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: 2
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -1111.002564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.002564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.002564 (E_RNA)
where:
Base-Base interactions energy: -748.208
where: short stacking energy: -344.404
Base-Backbone interact. energy: -1.214
local terms energy: -361.579990
where:
bonds (distance) C4'-P energy: -59.027
bonds (distance) P-C4' energy: -79.953
flat angles C4'-P-C4' energy: -79.579
flat angles P-C4'-P energy: -45.877
tors. eta vs tors. theta energy: -97.143
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: 10
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -1078.814018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.814018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.814018 (E_RNA)
where:
Base-Base interactions energy: -746.874
where: short stacking energy: -319.633
Base-Backbone interact. energy: 0.630
local terms energy: -332.570230
where:
bonds (distance) C4'-P energy: -64.466
bonds (distance) P-C4' energy: -64.582
flat angles C4'-P-C4' energy: -63.629
flat angles P-C4'-P energy: -51.636
tors. eta vs tors. theta energy: -88.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -1068.420930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.420930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.420930 (E_RNA)
where:
Base-Base interactions energy: -736.231
where: short stacking energy: -320.272
Base-Backbone interact. energy: -0.789
local terms energy: -331.400222
where:
bonds (distance) C4'-P energy: -59.957
bonds (distance) P-C4' energy: -66.187
flat angles C4'-P-C4' energy: -72.286
flat angles P-C4'-P energy: -40.943
tors. eta vs tors. theta energy: -92.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -984.554467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.554467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.554467 (E_RNA)
where:
Base-Base interactions energy: -661.053
where: short stacking energy: -283.473
Base-Backbone interact. energy: -1.733
local terms energy: -321.768964
where:
bonds (distance) C4'-P energy: -52.633
bonds (distance) P-C4' energy: -64.865
flat angles C4'-P-C4' energy: -72.757
flat angles P-C4'-P energy: -46.894
tors. eta vs tors. theta energy: -84.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -912.314704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.314704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.314704 (E_RNA)
where:
Base-Base interactions energy: -624.188
where: short stacking energy: -272.077
Base-Backbone interact. energy: 1.565
local terms energy: -289.691360
where:
bonds (distance) C4'-P energy: -47.206
bonds (distance) P-C4' energy: -64.592
flat angles C4'-P-C4' energy: -68.728
flat angles P-C4'-P energy: -48.211
tors. eta vs tors. theta energy: -60.955
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: 9
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -808.184205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.184205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.184205 (E_RNA)
where:
Base-Base interactions energy: -557.437
where: short stacking energy: -246.299
Base-Backbone interact. energy: -0.428
local terms energy: -250.319098
where:
bonds (distance) C4'-P energy: -49.553
bonds (distance) P-C4' energy: -52.096
flat angles C4'-P-C4' energy: -59.214
flat angles P-C4'-P energy: -33.507
tors. eta vs tors. theta energy: -55.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -774.474957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.474957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.474957 (E_RNA)
where:
Base-Base interactions energy: -530.574
where: short stacking energy: -233.539
Base-Backbone interact. energy: -1.480
local terms energy: -242.420886
where:
bonds (distance) C4'-P energy: -35.441
bonds (distance) P-C4' energy: -67.071
flat angles C4'-P-C4' energy: -46.924
flat angles P-C4'-P energy: -33.832
tors. eta vs tors. theta energy: -59.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -548.729576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.729576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.729576 (E_RNA)
where:
Base-Base interactions energy: -339.231
where: short stacking energy: -178.608
Base-Backbone interact. energy: -1.715
local terms energy: -207.782818
where:
bonds (distance) C4'-P energy: -43.082
bonds (distance) P-C4' energy: -45.128
flat angles C4'-P-C4' energy: -50.608
flat angles P-C4'-P energy: -35.581
tors. eta vs tors. theta energy: -33.384
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: 7
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -276.050984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.050984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.050984 (E_RNA)
where:
Base-Base interactions energy: -107.754
where: short stacking energy: -100.427
Base-Backbone interact. energy: 2.665
local terms energy: -170.962060
where:
bonds (distance) C4'-P energy: -38.590
bonds (distance) P-C4' energy: -51.536
flat angles C4'-P-C4' energy: -49.751
flat angles P-C4'-P energy: -28.295
tors. eta vs tors. theta energy: -2.790
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: 1, replica: 1
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -1209.064001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.064001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.064001 (E_RNA)
where:
Base-Base interactions energy: -838.002
where: short stacking energy: -392.523
Base-Backbone interact. energy: 1.367
local terms energy: -372.428411
where:
bonds (distance) C4'-P energy: -72.427
bonds (distance) P-C4' energy: -61.934
flat angles C4'-P-C4' energy: -76.459
flat angles P-C4'-P energy: -49.661
tors. eta vs tors. theta energy: -111.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -1119.425689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.425689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.425689 (E_RNA)
where:
Base-Base interactions energy: -768.890
where: short stacking energy: -341.596
Base-Backbone interact. energy: -1.080
local terms energy: -349.455161
where:
bonds (distance) C4'-P energy: -64.877
bonds (distance) P-C4' energy: -64.796
flat angles C4'-P-C4' energy: -71.380
flat angles P-C4'-P energy: -49.478
tors. eta vs tors. theta energy: -98.924
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: 474
Temperature: 1.000000
Total energy: -1083.315931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.315931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.315931 (E_RNA)
where:
Base-Base interactions energy: -744.188
where: short stacking energy: -330.935
Base-Backbone interact. energy: 0.848
local terms energy: -339.975890
where:
bonds (distance) C4'-P energy: -57.169
bonds (distance) P-C4' energy: -65.648
flat angles C4'-P-C4' energy: -75.333
flat angles P-C4'-P energy: -44.193
tors. eta vs tors. theta energy: -97.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -1050.816992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.816992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.816992 (E_RNA)
where:
Base-Base interactions energy: -737.303
where: short stacking energy: -305.450
Base-Backbone interact. energy: -2.528
local terms energy: -310.986710
where:
bonds (distance) C4'-P energy: -59.734
bonds (distance) P-C4' energy: -65.987
flat angles C4'-P-C4' energy: -58.627
flat angles P-C4'-P energy: -47.571
tors. eta vs tors. theta energy: -79.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -976.597317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.597317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.597317 (E_RNA)
where:
Base-Base interactions energy: -681.287
where: short stacking energy: -299.721
Base-Backbone interact. energy: -1.103
local terms energy: -294.207541
where:
bonds (distance) C4'-P energy: -49.024
bonds (distance) P-C4' energy: -64.786
flat angles C4'-P-C4' energy: -59.037
flat angles P-C4'-P energy: -39.608
tors. eta vs tors. theta energy: -81.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -895.980315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.980315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.980315 (E_RNA)
where:
Base-Base interactions energy: -634.614
where: short stacking energy: -248.729
Base-Backbone interact. energy: 2.266
local terms energy: -263.632569
where:
bonds (distance) C4'-P energy: -56.318
bonds (distance) P-C4' energy: -48.937
flat angles C4'-P-C4' energy: -45.847
flat angles P-C4'-P energy: -47.281
tors. eta vs tors. theta energy: -65.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -790.975798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.975798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.975798 (E_RNA)
where:
Base-Base interactions energy: -547.323
where: short stacking energy: -215.268
Base-Backbone interact. energy: -1.848
local terms energy: -241.804898
where:
bonds (distance) C4'-P energy: -47.993
bonds (distance) P-C4' energy: -64.029
flat angles C4'-P-C4' energy: -53.965
flat angles P-C4'-P energy: -31.201
tors. eta vs tors. theta energy: -44.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -771.114240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.114240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.114240 (E_RNA)
where:
Base-Base interactions energy: -518.992
where: short stacking energy: -247.855
Base-Backbone interact. energy: -0.766
local terms energy: -251.356092
where:
bonds (distance) C4'-P energy: -48.673
bonds (distance) P-C4' energy: -41.761
flat angles C4'-P-C4' energy: -65.096
flat angles P-C4'-P energy: -34.946
tors. eta vs tors. theta energy: -60.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -517.626977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.626977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.626977 (E_RNA)
where:
Base-Base interactions energy: -285.859
where: short stacking energy: -133.285
Base-Backbone interact. energy: -0.832
local terms energy: -230.936539
where:
bonds (distance) C4'-P energy: -56.935
bonds (distance) P-C4' energy: -61.260
flat angles C4'-P-C4' energy: -61.345
flat angles P-C4'-P energy: -30.721
tors. eta vs tors. theta energy: -20.675
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: 7
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -277.265679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.265679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.265679 (E_RNA)
where:
Base-Base interactions energy: -89.944
where: short stacking energy: -88.824
Base-Backbone interact. energy: -0.531
local terms energy: -186.790426
where:
bonds (distance) C4'-P energy: -43.465
bonds (distance) P-C4' energy: -57.799
flat angles C4'-P-C4' energy: -56.851
flat angles P-C4'-P energy: -34.358
tors. eta vs tors. theta energy: 5.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -1213.911751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.911751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.911751 (E_RNA)
where:
Base-Base interactions energy: -842.328
where: short stacking energy: -379.963
Base-Backbone interact. energy: -1.046
local terms energy: -370.537585
where:
bonds (distance) C4'-P energy: -61.875
bonds (distance) P-C4' energy: -63.200
flat angles C4'-P-C4' energy: -78.446
flat angles P-C4'-P energy: -47.189
tors. eta vs tors. theta energy: -119.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -1112.641919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.641919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.641919 (E_RNA)
where:
Base-Base interactions energy: -769.447
where: short stacking energy: -315.382
Base-Backbone interact. energy: -1.149
local terms energy: -342.045410
where:
bonds (distance) C4'-P energy: -56.861
bonds (distance) P-C4' energy: -63.342
flat angles C4'-P-C4' energy: -77.100
flat angles P-C4'-P energy: -45.647
tors. eta vs tors. theta energy: -99.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -1089.617170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.617170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.617170 (E_RNA)
where:
Base-Base interactions energy: -743.066
where: short stacking energy: -323.537
Base-Backbone interact. energy: -0.709
local terms energy: -345.842947
where:
bonds (distance) C4'-P energy: -55.443
bonds (distance) P-C4' energy: -59.475
flat angles C4'-P-C4' energy: -74.152
flat angles P-C4'-P energy: -52.440
tors. eta vs tors. theta energy: -104.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -1068.128829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.128829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.128829 (E_RNA)
where:
Base-Base interactions energy: -745.948
where: short stacking energy: -322.635
Base-Backbone interact. energy: -1.877
local terms energy: -320.304264
where:
bonds (distance) C4'-P energy: -67.706
bonds (distance) P-C4' energy: -54.055
flat angles C4'-P-C4' energy: -65.699
flat angles P-C4'-P energy: -48.488
tors. eta vs tors. theta energy: -84.356
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: 5, replica: 3
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -940.835469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.835469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.835469 (E_RNA)
where:
Base-Base interactions energy: -638.263
where: short stacking energy: -290.441
Base-Backbone interact. energy: 0.064
local terms energy: -302.637111
where:
bonds (distance) C4'-P energy: -54.241
bonds (distance) P-C4' energy: -53.278
flat angles C4'-P-C4' energy: -65.063
flat angles P-C4'-P energy: -53.279
tors. eta vs tors. theta energy: -76.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -899.138493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.138493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.138493 (E_RNA)
where:
Base-Base interactions energy: -612.540
where: short stacking energy: -256.441
Base-Backbone interact. energy: -1.257
local terms energy: -285.341341
where:
bonds (distance) C4'-P energy: -59.616
bonds (distance) P-C4' energy: -58.157
flat angles C4'-P-C4' energy: -62.787
flat angles P-C4'-P energy: -32.287
tors. eta vs tors. theta energy: -72.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -811.593255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.593255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.593255 (E_RNA)
where:
Base-Base interactions energy: -543.328
where: short stacking energy: -214.188
Base-Backbone interact. energy: 1.597
local terms energy: -269.862045
where:
bonds (distance) C4'-P energy: -50.308
bonds (distance) P-C4' energy: -64.202
flat angles C4'-P-C4' energy: -65.990
flat angles P-C4'-P energy: -42.306
tors. eta vs tors. theta energy: -47.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -827.123755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.123755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.123755 (E_RNA)
where:
Base-Base interactions energy: -534.761
where: short stacking energy: -226.709
Base-Backbone interact. energy: -0.960
local terms energy: -291.402903
where:
bonds (distance) C4'-P energy: -60.022
bonds (distance) P-C4' energy: -61.875
flat angles C4'-P-C4' energy: -59.123
flat angles P-C4'-P energy: -40.057
tors. eta vs tors. theta energy: -70.325
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: 475
Temperature: 1.300000
Total energy: -577.806432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.806432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.806432 (E_RNA)
where:
Base-Base interactions energy: -346.986
where: short stacking energy: -181.835
Base-Backbone interact. energy: -1.218
local terms energy: -229.603365
where:
bonds (distance) C4'-P energy: -58.132
bonds (distance) P-C4' energy: -53.687
flat angles C4'-P-C4' energy: -53.347
flat angles P-C4'-P energy: -30.445
tors. eta vs tors. theta energy: -33.992
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: 7
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -280.133011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.133011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.133011 (E_RNA)
where:
Base-Base interactions energy: -113.335
where: short stacking energy: -93.016
Base-Backbone interact. energy: -0.918
local terms energy: -165.879833
where:
bonds (distance) C4'-P energy: -57.351
bonds (distance) P-C4' energy: -56.007
flat angles C4'-P-C4' energy: -42.150
flat angles P-C4'-P energy: -18.395
tors. eta vs tors. theta energy: 8.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -1203.570354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.570354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.570354 (E_RNA)
where:
Base-Base interactions energy: -824.331
where: short stacking energy: -374.684
Base-Backbone interact. energy: -0.092
local terms energy: -379.146545
where:
bonds (distance) C4'-P energy: -60.050
bonds (distance) P-C4' energy: -65.890
flat angles C4'-P-C4' energy: -80.702
flat angles P-C4'-P energy: -52.815
tors. eta vs tors. theta energy: -119.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -1120.759141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.759141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.759141 (E_RNA)
where:
Base-Base interactions energy: -777.804
where: short stacking energy: -336.460
Base-Backbone interact. energy: -1.223
local terms energy: -341.732173
where:
bonds (distance) C4'-P energy: -62.351
bonds (distance) P-C4' energy: -63.153
flat angles C4'-P-C4' energy: -72.647
flat angles P-C4'-P energy: -42.172
tors. eta vs tors. theta energy: -101.409
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: 2
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -1092.191717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.191717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.191717 (E_RNA)
where:
Base-Base interactions energy: -761.166
where: short stacking energy: -323.116
Base-Backbone interact. energy: -0.875
local terms energy: -330.151195
where:
bonds (distance) C4'-P energy: -57.983
bonds (distance) P-C4' energy: -64.277
flat angles C4'-P-C4' energy: -66.205
flat angles P-C4'-P energy: -51.372
tors. eta vs tors. theta energy: -90.313
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: 6
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -1059.487252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.487252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.487252 (E_RNA)
where:
Base-Base interactions energy: -730.927
where: short stacking energy: -308.070
Base-Backbone interact. energy: -1.760
local terms energy: -326.800076
where:
bonds (distance) C4'-P energy: -50.384
bonds (distance) P-C4' energy: -67.383
flat angles C4'-P-C4' energy: -77.149
flat angles P-C4'-P energy: -41.943
tors. eta vs tors. theta energy: -89.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -995.609707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.609707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.609707 (E_RNA)
where:
Base-Base interactions energy: -679.715
where: short stacking energy: -294.062
Base-Backbone interact. energy: -0.303
local terms energy: -315.591173
where:
bonds (distance) C4'-P energy: -53.651
bonds (distance) P-C4' energy: -65.519
flat angles C4'-P-C4' energy: -68.475
flat angles P-C4'-P energy: -40.563
tors. eta vs tors. theta energy: -87.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -893.648162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.648162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.648162 (E_RNA)
where:
Base-Base interactions energy: -629.645
where: short stacking energy: -246.783
Base-Backbone interact. energy: 1.739
local terms energy: -265.741244
where:
bonds (distance) C4'-P energy: -44.116
bonds (distance) P-C4' energy: -59.801
flat angles C4'-P-C4' energy: -53.880
flat angles P-C4'-P energy: -36.966
tors. eta vs tors. theta energy: -70.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -808.084819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.084819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.084819 (E_RNA)
where:
Base-Base interactions energy: -539.034
where: short stacking energy: -225.910
Base-Backbone interact. energy: -0.412
local terms energy: -268.639432
where:
bonds (distance) C4'-P energy: -59.429
bonds (distance) P-C4' energy: -64.726
flat angles C4'-P-C4' energy: -59.415
flat angles P-C4'-P energy: -40.625
tors. eta vs tors. theta energy: -44.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -802.368024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.368024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.368024 (E_RNA)
where:
Base-Base interactions energy: -527.956
where: short stacking energy: -231.586
Base-Backbone interact. energy: -0.345
local terms energy: -274.067064
where:
bonds (distance) C4'-P energy: -51.750
bonds (distance) P-C4' energy: -57.169
flat angles C4'-P-C4' energy: -53.583
flat angles P-C4'-P energy: -36.424
tors. eta vs tors. theta energy: -75.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -585.132464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.132464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.132464 (E_RNA)
where:
Base-Base interactions energy: -359.399
where: short stacking energy: -185.185
Base-Backbone interact. energy: -1.169
local terms energy: -224.564271
where:
bonds (distance) C4'-P energy: -54.690
bonds (distance) P-C4' energy: -55.471
flat angles C4'-P-C4' energy: -55.845
flat angles P-C4'-P energy: -23.354
tors. eta vs tors. theta energy: -35.204
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: 7
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -288.370991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.370991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.370991 (E_RNA)
where:
Base-Base interactions energy: -111.628
where: short stacking energy: -85.846
Base-Backbone interact. energy: -2.276
local terms energy: -174.466689
where:
bonds (distance) C4'-P energy: -50.064
bonds (distance) P-C4' energy: -47.819
flat angles C4'-P-C4' energy: -57.780
flat angles P-C4'-P energy: -28.112
tors. eta vs tors. theta energy: 9.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -1206.840401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.840401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.840401 (E_RNA)
where:
Base-Base interactions energy: -815.938
where: short stacking energy: -362.474
Base-Backbone interact. energy: 0.510
local terms energy: -391.412120
where:
bonds (distance) C4'-P energy: -77.777
bonds (distance) P-C4' energy: -65.366
flat angles C4'-P-C4' energy: -79.630
flat angles P-C4'-P energy: -49.520
tors. eta vs tors. theta energy: -119.119
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: 2, replica: 10
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -1137.405161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.405161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.405161 (E_RNA)
where:
Base-Base interactions energy: -783.584
where: short stacking energy: -339.913
Base-Backbone interact. energy: 6.125
local terms energy: -359.946098
where:
bonds (distance) C4'-P energy: -73.074
bonds (distance) P-C4' energy: -66.090
flat angles C4'-P-C4' energy: -75.301
flat angles P-C4'-P energy: -51.974
tors. eta vs tors. theta energy: -93.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -1088.215326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.215326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.215326 (E_RNA)
where:
Base-Base interactions energy: -748.606
where: short stacking energy: -309.824
Base-Backbone interact. energy: -1.010
local terms energy: -338.599139
where:
bonds (distance) C4'-P energy: -64.389
bonds (distance) P-C4' energy: -66.749
flat angles C4'-P-C4' energy: -65.879
flat angles P-C4'-P energy: -44.956
tors. eta vs tors. theta energy: -96.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -996.545588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.545588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.545588 (E_RNA)
where:
Base-Base interactions energy: -669.502
where: short stacking energy: -293.060
Base-Backbone interact. energy: -0.415
local terms energy: -326.627801
where:
bonds (distance) C4'-P energy: -69.790
bonds (distance) P-C4' energy: -53.891
flat angles C4'-P-C4' energy: -74.682
flat angles P-C4'-P energy: -46.731
tors. eta vs tors. theta energy: -81.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -1041.988600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.988600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.988600 (E_RNA)
where:
Base-Base interactions energy: -742.838
where: short stacking energy: -321.290
Base-Backbone interact. energy: -2.633
local terms energy: -296.517664
where:
bonds (distance) C4'-P energy: -48.044
bonds (distance) P-C4' energy: -47.906
flat angles C4'-P-C4' energy: -71.221
flat angles P-C4'-P energy: -42.413
tors. eta vs tors. theta energy: -86.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -905.259799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.259799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.259799 (E_RNA)
where:
Base-Base interactions energy: -596.247
where: short stacking energy: -239.212
Base-Backbone interact. energy: 0.616
local terms energy: -309.629406
where:
bonds (distance) C4'-P energy: -58.814
bonds (distance) P-C4' energy: -68.194
flat angles C4'-P-C4' energy: -72.003
flat angles P-C4'-P energy: -38.117
tors. eta vs tors. theta energy: -72.502
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: 9
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -782.911114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.911114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.911114 (E_RNA)
where:
Base-Base interactions energy: -531.196
where: short stacking energy: -252.591
Base-Backbone interact. energy: -1.643
local terms energy: -250.071719
where:
bonds (distance) C4'-P energy: -50.834
bonds (distance) P-C4' energy: -53.706
flat angles C4'-P-C4' energy: -51.121
flat angles P-C4'-P energy: -39.683
tors. eta vs tors. theta energy: -54.728
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: 8, replica: 4
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -792.675037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.675037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.675037 (E_RNA)
where:
Base-Base interactions energy: -535.507
where: short stacking energy: -242.145
Base-Backbone interact. energy: -1.111
local terms energy: -256.057596
where:
bonds (distance) C4'-P energy: -48.486
bonds (distance) P-C4' energy: -52.872
flat angles C4'-P-C4' energy: -60.289
flat angles P-C4'-P energy: -35.560
tors. eta vs tors. theta energy: -58.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -565.470804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.470804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.470804 (E_RNA)
where:
Base-Base interactions energy: -336.453
where: short stacking energy: -166.573
Base-Backbone interact. energy: -1.180
local terms energy: -227.837161
where:
bonds (distance) C4'-P energy: -54.414
bonds (distance) P-C4' energy: -65.563
flat angles C4'-P-C4' energy: -44.927
flat angles P-C4'-P energy: -43.998
tors. eta vs tors. theta energy: -18.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -332.983054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.983054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.983054 (E_RNA)
where:
Base-Base interactions energy: -155.313
where: short stacking energy: -115.840
Base-Backbone interact. energy: 1.216
local terms energy: -178.885701
where:
bonds (distance) C4'-P energy: -49.829
bonds (distance) P-C4' energy: -60.308
flat angles C4'-P-C4' energy: -35.212
flat angles P-C4'-P energy: -29.649
tors. eta vs tors. theta energy: -3.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -1209.819507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.819507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.819507 (E_RNA)
where:
Base-Base interactions energy: -830.903
where: short stacking energy: -367.295
Base-Backbone interact. energy: -3.668
local terms energy: -375.248368
where:
bonds (distance) C4'-P energy: -72.514
bonds (distance) P-C4' energy: -66.586
flat angles C4'-P-C4' energy: -83.701
flat angles P-C4'-P energy: -44.940
tors. eta vs tors. theta energy: -107.507
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: 10
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -1123.274581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.274581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.274581 (E_RNA)
where:
Base-Base interactions energy: -795.635
where: short stacking energy: -338.046
Base-Backbone interact. energy: 6.995
local terms energy: -334.634371
where:
bonds (distance) C4'-P energy: -52.800
bonds (distance) P-C4' energy: -70.738
flat angles C4'-P-C4' energy: -72.643
flat angles P-C4'-P energy: -45.596
tors. eta vs tors. theta energy: -92.859
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: 2
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -1103.824484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.824484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.824484 (E_RNA)
where:
Base-Base interactions energy: -760.825
where: short stacking energy: -330.892
Base-Backbone interact. energy: -1.855
local terms energy: -341.144611
where:
bonds (distance) C4'-P energy: -60.495
bonds (distance) P-C4' energy: -64.510
flat angles C4'-P-C4' energy: -71.171
flat angles P-C4'-P energy: -47.581
tors. eta vs tors. theta energy: -97.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -969.856063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.856063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.856063 (E_RNA)
where:
Base-Base interactions energy: -657.554
where: short stacking energy: -300.375
Base-Backbone interact. energy: -0.410
local terms energy: -311.892668
where:
bonds (distance) C4'-P energy: -55.741
bonds (distance) P-C4' energy: -57.472
flat angles C4'-P-C4' energy: -78.201
flat angles P-C4'-P energy: -39.924
tors. eta vs tors. theta energy: -80.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -1012.217105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.217105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.217105 (E_RNA)
where:
Base-Base interactions energy: -690.944
where: short stacking energy: -300.712
Base-Backbone interact. energy: -2.462
local terms energy: -318.811273
where:
bonds (distance) C4'-P energy: -63.142
bonds (distance) P-C4' energy: -59.029
flat angles C4'-P-C4' energy: -66.623
flat angles P-C4'-P energy: -45.186
tors. eta vs tors. theta energy: -84.832
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: 8
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -886.425976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.425976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.425976 (E_RNA)
where:
Base-Base interactions energy: -612.476
where: short stacking energy: -265.933
Base-Backbone interact. energy: 1.943
local terms energy: -275.892923
where:
bonds (distance) C4'-P energy: -59.833
bonds (distance) P-C4' energy: -50.330
flat angles C4'-P-C4' energy: -62.458
flat angles P-C4'-P energy: -43.813
tors. eta vs tors. theta energy: -59.458
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: 9
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -785.267568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.267568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.267568 (E_RNA)
where:
Base-Base interactions energy: -529.307
where: short stacking energy: -233.740
Base-Backbone interact. energy: 2.088
local terms energy: -258.048546
where:
bonds (distance) C4'-P energy: -63.107
bonds (distance) P-C4' energy: -52.992
flat angles C4'-P-C4' energy: -49.560
flat angles P-C4'-P energy: -41.337
tors. eta vs tors. theta energy: -51.052
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: 4
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -806.717316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.717316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.717316 (E_RNA)
where:
Base-Base interactions energy: -527.288
where: short stacking energy: -232.641
Base-Backbone interact. energy: -0.568
local terms energy: -278.861777
where:
bonds (distance) C4'-P energy: -49.501
bonds (distance) P-C4' energy: -59.491
flat angles C4'-P-C4' energy: -62.336
flat angles P-C4'-P energy: -44.744
tors. eta vs tors. theta energy: -62.789
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: 478
Temperature: 1.300000
Total energy: -557.482910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.482910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.482910 (E_RNA)
where:
Base-Base interactions energy: -340.545
where: short stacking energy: -161.973
Base-Backbone interact. energy: -0.957
local terms energy: -215.981758
where:
bonds (distance) C4'-P energy: -53.736
bonds (distance) P-C4' energy: -48.241
flat angles C4'-P-C4' energy: -58.091
flat angles P-C4'-P energy: -27.329
tors. eta vs tors. theta energy: -28.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -324.936722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.936722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.936722 (E_RNA)
where:
Base-Base interactions energy: -159.093
where: short stacking energy: -85.912
Base-Backbone interact. energy: 4.554
local terms energy: -170.396976
where:
bonds (distance) C4'-P energy: -49.045
bonds (distance) P-C4' energy: -56.872
flat angles C4'-P-C4' energy: -47.287
flat angles P-C4'-P energy: -22.553
tors. eta vs tors. theta energy: 5.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -1205.645368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.645368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.645368 (E_RNA)
where:
Base-Base interactions energy: -834.770
where: short stacking energy: -373.275
Base-Backbone interact. energy: -1.022
local terms energy: -369.853567
where:
bonds (distance) C4'-P energy: -52.326
bonds (distance) P-C4' energy: -70.093
flat angles C4'-P-C4' energy: -76.955
flat angles P-C4'-P energy: -57.795
tors. eta vs tors. theta energy: -112.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -1116.145532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.145532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.145532 (E_RNA)
where:
Base-Base interactions energy: -776.011
where: short stacking energy: -339.662
Base-Backbone interact. energy: -1.618
local terms energy: -338.515573
where:
bonds (distance) C4'-P energy: -63.469
bonds (distance) P-C4' energy: -60.428
flat angles C4'-P-C4' energy: -72.311
flat angles P-C4'-P energy: -49.343
tors. eta vs tors. theta energy: -92.963
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: 479
Temperature: 1.000000
Total energy: -1138.687584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.687584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.687584 (E_RNA)
where:
Base-Base interactions energy: -802.997
where: short stacking energy: -347.998
Base-Backbone interact. energy: -0.628
local terms energy: -335.062343
where:
bonds (distance) C4'-P energy: -53.353
bonds (distance) P-C4' energy: -66.176
flat angles C4'-P-C4' energy: -75.308
flat angles P-C4'-P energy: -40.939
tors. eta vs tors. theta energy: -99.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -1069.200887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.200887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.200887 (E_RNA)
where:
Base-Base interactions energy: -732.436
where: short stacking energy: -301.804
Base-Backbone interact. energy: -1.157
local terms energy: -335.608119
where:
bonds (distance) C4'-P energy: -59.495
bonds (distance) P-C4' energy: -67.558
flat angles C4'-P-C4' energy: -77.274
flat angles P-C4'-P energy: -43.244
tors. eta vs tors. theta energy: -88.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -941.489753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.489753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.489753 (E_RNA)
where:
Base-Base interactions energy: -630.406
where: short stacking energy: -265.662
Base-Backbone interact. energy: 2.951
local terms energy: -314.034222
where:
bonds (distance) C4'-P energy: -69.722
bonds (distance) P-C4' energy: -55.787
flat angles C4'-P-C4' energy: -68.870
flat angles P-C4'-P energy: -45.707
tors. eta vs tors. theta energy: -73.948
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: 9
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -827.318609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.318609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.318609 (E_RNA)
where:
Base-Base interactions energy: -541.726
where: short stacking energy: -258.567
Base-Backbone interact. energy: -1.312
local terms energy: -284.280492
where:
bonds (distance) C4'-P energy: -52.158
bonds (distance) P-C4' energy: -61.468
flat angles C4'-P-C4' energy: -65.247
flat angles P-C4'-P energy: -40.109
tors. eta vs tors. theta energy: -65.299
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: 8
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -842.806247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.806247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.806247 (E_RNA)
where:
Base-Base interactions energy: -576.283
where: short stacking energy: -251.298
Base-Backbone interact. energy: 0.917
local terms energy: -267.439807
where:
bonds (distance) C4'-P energy: -42.985
bonds (distance) P-C4' energy: -53.078
flat angles C4'-P-C4' energy: -64.132
flat angles P-C4'-P energy: -43.740
tors. eta vs tors. theta energy: -63.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -814.440346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.440346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.440346 (E_RNA)
where:
Base-Base interactions energy: -540.276
where: short stacking energy: -253.680
Base-Backbone interact. energy: 0.221
local terms energy: -274.385635
where:
bonds (distance) C4'-P energy: -71.866
bonds (distance) P-C4' energy: -49.867
flat angles C4'-P-C4' energy: -52.864
flat angles P-C4'-P energy: -35.671
tors. eta vs tors. theta energy: -64.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -598.983624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.983624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.983624 (E_RNA)
where:
Base-Base interactions energy: -369.626
where: short stacking energy: -164.040
Base-Backbone interact. energy: -1.671
local terms energy: -227.686410
where:
bonds (distance) C4'-P energy: -56.987
bonds (distance) P-C4' energy: -50.311
flat angles C4'-P-C4' energy: -59.350
flat angles P-C4'-P energy: -32.430
tors. eta vs tors. theta energy: -28.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -280.238977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.238977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.238977 (E_RNA)
where:
Base-Base interactions energy: -105.516
where: short stacking energy: -67.572
Base-Backbone interact. energy: 0.994
local terms energy: -175.716597
where:
bonds (distance) C4'-P energy: -46.963
bonds (distance) P-C4' energy: -59.734
flat angles C4'-P-C4' energy: -55.465
flat angles P-C4'-P energy: -32.728
tors. eta vs tors. theta energy: 19.172
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: 1
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -1203.251906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.251906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.251906 (E_RNA)
where:
Base-Base interactions energy: -838.518
where: short stacking energy: -368.177
Base-Backbone interact. energy: 0.348
local terms energy: -365.081089
where:
bonds (distance) C4'-P energy: -65.579
bonds (distance) P-C4' energy: -59.065
flat angles C4'-P-C4' energy: -75.710
flat angles P-C4'-P energy: -48.908
tors. eta vs tors. theta energy: -115.820
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: 10
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -1107.687321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.687321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.687321 (E_RNA)
where:
Base-Base interactions energy: -753.313
where: short stacking energy: -338.874
Base-Backbone interact. energy: -0.780
local terms energy: -353.593796
where:
bonds (distance) C4'-P energy: -64.926
bonds (distance) P-C4' energy: -66.382
flat angles C4'-P-C4' energy: -70.632
flat angles P-C4'-P energy: -49.261
tors. eta vs tors. theta energy: -102.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -1138.703385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.703385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.703385 (E_RNA)
where:
Base-Base interactions energy: -782.469
where: short stacking energy: -339.518
Base-Backbone interact. energy: -0.362
local terms energy: -355.872148
where:
bonds (distance) C4'-P energy: -65.380
bonds (distance) P-C4' energy: -63.197
flat angles C4'-P-C4' energy: -73.441
flat angles P-C4'-P energy: -55.988
tors. eta vs tors. theta energy: -97.867
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: 6
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -1082.764256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.764256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.764256 (E_RNA)
where:
Base-Base interactions energy: -741.313
where: short stacking energy: -308.771
Base-Backbone interact. energy: -4.485
local terms energy: -336.967163
where:
bonds (distance) C4'-P energy: -59.301
bonds (distance) P-C4' energy: -65.136
flat angles C4'-P-C4' energy: -70.310
flat angles P-C4'-P energy: -45.066
tors. eta vs tors. theta energy: -97.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -976.085900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.085900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.085900 (E_RNA)
where:
Base-Base interactions energy: -674.175
where: short stacking energy: -287.728
Base-Backbone interact. energy: 0.018
local terms energy: -301.928925
where:
bonds (distance) C4'-P energy: -56.864
bonds (distance) P-C4' energy: -55.719
flat angles C4'-P-C4' energy: -70.003
flat angles P-C4'-P energy: -39.407
tors. eta vs tors. theta energy: -79.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -869.369210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.369210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.369210 (E_RNA)
where:
Base-Base interactions energy: -574.370
where: short stacking energy: -267.970
Base-Backbone interact. energy: -0.793
local terms energy: -294.206725
where:
bonds (distance) C4'-P energy: -50.743
bonds (distance) P-C4' energy: -59.700
flat angles C4'-P-C4' energy: -64.159
flat angles P-C4'-P energy: -45.646
tors. eta vs tors. theta energy: -73.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -805.571821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.571821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.571821 (E_RNA)
where:
Base-Base interactions energy: -543.372
where: short stacking energy: -243.420
Base-Backbone interact. energy: -1.292
local terms energy: -260.907978
where:
bonds (distance) C4'-P energy: -48.012
bonds (distance) P-C4' energy: -53.901
flat angles C4'-P-C4' energy: -65.238
flat angles P-C4'-P energy: -35.695
tors. eta vs tors. theta energy: -58.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -794.157408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.157408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.157408 (E_RNA)
where:
Base-Base interactions energy: -535.214
where: short stacking energy: -244.476
Base-Backbone interact. energy: -0.541
local terms energy: -258.402156
where:
bonds (distance) C4'-P energy: -47.045
bonds (distance) P-C4' energy: -56.947
flat angles C4'-P-C4' energy: -57.029
flat angles P-C4'-P energy: -34.637
tors. eta vs tors. theta energy: -62.745
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: 5
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -579.830567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.830567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.830567 (E_RNA)
where:
Base-Base interactions energy: -355.871
where: short stacking energy: -156.349
Base-Backbone interact. energy: -1.837
local terms energy: -222.123087
where:
bonds (distance) C4'-P energy: -45.597
bonds (distance) P-C4' energy: -55.940
flat angles C4'-P-C4' energy: -53.305
flat angles P-C4'-P energy: -41.793
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: 10, replica: 7
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -287.897638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.897638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.897638 (E_RNA)
where:
Base-Base interactions energy: -117.042
where: short stacking energy: -102.861
Base-Backbone interact. energy: -1.193
local terms energy: -169.662966
where:
bonds (distance) C4'-P energy: -56.105
bonds (distance) P-C4' energy: -55.049
flat angles C4'-P-C4' energy: -40.648
flat angles P-C4'-P energy: -26.074
tors. eta vs tors. theta energy: 8.214
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: 1
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -1207.138296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.138296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.138296 (E_RNA)
where:
Base-Base interactions energy: -823.763
where: short stacking energy: -359.599
Base-Backbone interact. energy: -2.141
local terms energy: -381.234052
where:
bonds (distance) C4'-P energy: -71.527
bonds (distance) P-C4' energy: -72.154
flat angles C4'-P-C4' energy: -70.994
flat angles P-C4'-P energy: -53.976
tors. eta vs tors. theta energy: -112.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -1141.968366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.968366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.968366 (E_RNA)
where:
Base-Base interactions energy: -783.059
where: short stacking energy: -328.747
Base-Backbone interact. energy: -0.835
local terms energy: -358.074305
where:
bonds (distance) C4'-P energy: -65.175
bonds (distance) P-C4' energy: -69.430
flat angles C4'-P-C4' energy: -74.371
flat angles P-C4'-P energy: -57.523
tors. eta vs tors. theta energy: -91.575
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: 481
Temperature: 1.000000
Total energy: -1071.152176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.152176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.152176 (E_RNA)
where:
Base-Base interactions energy: -738.757
where: short stacking energy: -314.740
Base-Backbone interact. energy: -2.182
local terms energy: -330.213406
where:
bonds (distance) C4'-P energy: -53.612
bonds (distance) P-C4' energy: -60.678
flat angles C4'-P-C4' energy: -75.577
flat angles P-C4'-P energy: -47.336
tors. eta vs tors. theta energy: -93.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -1073.031277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.031277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.031277 (E_RNA)
where:
Base-Base interactions energy: -743.273
where: short stacking energy: -305.167
Base-Backbone interact. energy: -0.084
local terms energy: -329.674068
where:
bonds (distance) C4'-P energy: -56.864
bonds (distance) P-C4' energy: -67.212
flat angles C4'-P-C4' energy: -69.567
flat angles P-C4'-P energy: -46.146
tors. eta vs tors. theta energy: -89.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -998.032688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.032688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.032688 (E_RNA)
where:
Base-Base interactions energy: -671.438
where: short stacking energy: -289.870
Base-Backbone interact. energy: -0.026
local terms energy: -326.568247
where:
bonds (distance) C4'-P energy: -57.239
bonds (distance) P-C4' energy: -70.145
flat angles C4'-P-C4' energy: -71.488
flat angles P-C4'-P energy: -46.642
tors. eta vs tors. theta energy: -81.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -889.050743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.050743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.050743 (E_RNA)
where:
Base-Base interactions energy: -596.745
where: short stacking energy: -277.897
Base-Backbone interact. energy: -0.850
local terms energy: -291.455892
where:
bonds (distance) C4'-P energy: -50.481
bonds (distance) P-C4' energy: -67.064
flat angles C4'-P-C4' energy: -60.750
flat angles P-C4'-P energy: -41.941
tors. eta vs tors. theta energy: -71.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -776.721553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.721553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.721553 (E_RNA)
where:
Base-Base interactions energy: -496.833
where: short stacking energy: -211.556
Base-Backbone interact. energy: -2.799
local terms energy: -277.089241
where:
bonds (distance) C4'-P energy: -63.475
bonds (distance) P-C4' energy: -56.188
flat angles C4'-P-C4' energy: -54.007
flat angles P-C4'-P energy: -45.040
tors. eta vs tors. theta energy: -58.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -840.693074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.693074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.693074 (E_RNA)
where:
Base-Base interactions energy: -561.509
where: short stacking energy: -242.486
Base-Backbone interact. energy: 5.699
local terms energy: -284.883184
where:
bonds (distance) C4'-P energy: -47.758
bonds (distance) P-C4' energy: -60.957
flat angles C4'-P-C4' energy: -58.234
flat angles P-C4'-P energy: -48.302
tors. eta vs tors. theta energy: -69.631
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: 5
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -541.856962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.856962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.856962 (E_RNA)
where:
Base-Base interactions energy: -311.612
where: short stacking energy: -175.769
Base-Backbone interact. energy: 2.544
local terms energy: -232.789088
where:
bonds (distance) C4'-P energy: -64.493
bonds (distance) P-C4' energy: -55.334
flat angles C4'-P-C4' energy: -56.989
flat angles P-C4'-P energy: -28.252
tors. eta vs tors. theta energy: -27.722
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: 7
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -290.515309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.515309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.515309 (E_RNA)
where:
Base-Base interactions energy: -122.653
where: short stacking energy: -104.458
Base-Backbone interact. energy: 2.195
local terms energy: -170.057754
where:
bonds (distance) C4'-P energy: -36.394
bonds (distance) P-C4' energy: -56.989
flat angles C4'-P-C4' energy: -49.115
flat angles P-C4'-P energy: -24.089
tors. eta vs tors. theta energy: -3.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -1204.580846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.580846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.580846 (E_RNA)
where:
Base-Base interactions energy: -833.236
where: short stacking energy: -357.857
Base-Backbone interact. energy: -0.750
local terms energy: -370.594928
where:
bonds (distance) C4'-P energy: -66.159
bonds (distance) P-C4' energy: -75.358
flat angles C4'-P-C4' energy: -70.695
flat angles P-C4'-P energy: -49.962
tors. eta vs tors. theta energy: -108.421
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: 482
Temperature: 0.950000
Total energy: -1125.189616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.189616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.189616 (E_RNA)
where:
Base-Base interactions energy: -772.491
where: short stacking energy: -345.036
Base-Backbone interact. energy: 1.136
local terms energy: -353.835232
where:
bonds (distance) C4'-P energy: -60.248
bonds (distance) P-C4' energy: -74.705
flat angles C4'-P-C4' energy: -68.091
flat angles P-C4'-P energy: -50.392
tors. eta vs tors. theta energy: -100.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -1107.138944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.138944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.138944 (E_RNA)
where:
Base-Base interactions energy: -772.937
where: short stacking energy: -323.365
Base-Backbone interact. energy: -1.817
local terms energy: -332.385154
where:
bonds (distance) C4'-P energy: -60.091
bonds (distance) P-C4' energy: -66.078
flat angles C4'-P-C4' energy: -72.304
flat angles P-C4'-P energy: -46.989
tors. eta vs tors. theta energy: -86.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -1032.499459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.499459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.499459 (E_RNA)
where:
Base-Base interactions energy: -702.451
where: short stacking energy: -295.067
Base-Backbone interact. energy: -2.306
local terms energy: -327.742148
where:
bonds (distance) C4'-P energy: -62.483
bonds (distance) P-C4' energy: -71.605
flat angles C4'-P-C4' energy: -68.417
flat angles P-C4'-P energy: -42.649
tors. eta vs tors. theta energy: -82.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -983.732249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.732249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.732249 (E_RNA)
where:
Base-Base interactions energy: -676.601
where: short stacking energy: -288.246
Base-Backbone interact. energy: -0.823
local terms energy: -306.308461
where:
bonds (distance) C4'-P energy: -56.436
bonds (distance) P-C4' energy: -66.106
flat angles C4'-P-C4' energy: -64.976
flat angles P-C4'-P energy: -48.262
tors. eta vs tors. theta energy: -70.528
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: 9
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -869.498211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.498211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.498211 (E_RNA)
where:
Base-Base interactions energy: -585.857
where: short stacking energy: -254.290
Base-Backbone interact. energy: 0.137
local terms energy: -283.777622
where:
bonds (distance) C4'-P energy: -57.322
bonds (distance) P-C4' energy: -58.383
flat angles C4'-P-C4' energy: -71.220
flat angles P-C4'-P energy: -39.400
tors. eta vs tors. theta energy: -57.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -861.725911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.725911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.725911 (E_RNA)
where:
Base-Base interactions energy: -571.776
where: short stacking energy: -279.969
Base-Backbone interact. energy: 2.165
local terms energy: -292.114530
where:
bonds (distance) C4'-P energy: -55.348
bonds (distance) P-C4' energy: -54.955
flat angles C4'-P-C4' energy: -59.078
flat angles P-C4'-P energy: -46.454
tors. eta vs tors. theta energy: -76.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -784.214660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.214660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.214660 (E_RNA)
where:
Base-Base interactions energy: -507.315
where: short stacking energy: -204.190
Base-Backbone interact. energy: -1.286
local terms energy: -275.614322
where:
bonds (distance) C4'-P energy: -57.296
bonds (distance) P-C4' energy: -56.377
flat angles C4'-P-C4' energy: -67.060
flat angles P-C4'-P energy: -42.340
tors. eta vs tors. theta energy: -52.541
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: 5
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -601.872115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.872115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.872115 (E_RNA)
where:
Base-Base interactions energy: -375.696
where: short stacking energy: -183.620
Base-Backbone interact. energy: -1.301
local terms energy: -224.875471
where:
bonds (distance) C4'-P energy: -49.151
bonds (distance) P-C4' energy: -63.820
flat angles C4'-P-C4' energy: -44.104
flat angles P-C4'-P energy: -27.318
tors. eta vs tors. theta energy: -40.483
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: 10, replica: 7
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -298.557852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.557852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.557852 (E_RNA)
where:
Base-Base interactions energy: -129.805
where: short stacking energy: -114.524
Base-Backbone interact. energy: 0.674
local terms energy: -169.427190
where:
bonds (distance) C4'-P energy: -39.734
bonds (distance) P-C4' energy: -54.297
flat angles C4'-P-C4' energy: -35.236
flat angles P-C4'-P energy: -29.513
tors. eta vs tors. theta energy: -10.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -1192.419711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.419711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.419711 (E_RNA)
where:
Base-Base interactions energy: -834.025
where: short stacking energy: -361.124
Base-Backbone interact. energy: -0.288
local terms energy: -358.106920
where:
bonds (distance) C4'-P energy: -59.742
bonds (distance) P-C4' energy: -62.797
flat angles C4'-P-C4' energy: -78.388
flat angles P-C4'-P energy: -52.106
tors. eta vs tors. theta energy: -105.074
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: 2
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -1128.557697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.557697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.557697 (E_RNA)
where:
Base-Base interactions energy: -785.880
where: short stacking energy: -357.452
Base-Backbone interact. energy: 6.312
local terms energy: -348.989335
where:
bonds (distance) C4'-P energy: -62.845
bonds (distance) P-C4' energy: -65.943
flat angles C4'-P-C4' energy: -75.439
flat angles P-C4'-P energy: -44.585
tors. eta vs tors. theta energy: -100.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -1097.241895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.241895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.241895 (E_RNA)
where:
Base-Base interactions energy: -752.319
where: short stacking energy: -313.261
Base-Backbone interact. energy: -0.566
local terms energy: -344.356399
where:
bonds (distance) C4'-P energy: -68.851
bonds (distance) P-C4' energy: -67.203
flat angles C4'-P-C4' energy: -61.697
flat angles P-C4'-P energy: -47.845
tors. eta vs tors. theta energy: -98.761
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: 483
Temperature: 1.050000
Total energy: -991.600596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.600596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.600596 (E_RNA)
where:
Base-Base interactions energy: -682.036
where: short stacking energy: -305.046
Base-Backbone interact. energy: 1.084
local terms energy: -310.648321
where:
bonds (distance) C4'-P energy: -64.414
bonds (distance) P-C4' energy: -54.678
flat angles C4'-P-C4' energy: -73.359
flat angles P-C4'-P energy: -42.021
tors. eta vs tors. theta energy: -76.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -986.974678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.974678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.974678 (E_RNA)
where:
Base-Base interactions energy: -675.856
where: short stacking energy: -300.845
Base-Backbone interact. energy: -2.653
local terms energy: -308.466231
where:
bonds (distance) C4'-P energy: -56.008
bonds (distance) P-C4' energy: -59.019
flat angles C4'-P-C4' energy: -75.061
flat angles P-C4'-P energy: -38.591
tors. eta vs tors. theta energy: -79.787
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: 6, replica: 4
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -879.272978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.272978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.272978 (E_RNA)
where:
Base-Base interactions energy: -601.730
where: short stacking energy: -253.200
Base-Backbone interact. energy: 1.257
local terms energy: -278.800283
where:
bonds (distance) C4'-P energy: -55.362
bonds (distance) P-C4' energy: -52.054
flat angles C4'-P-C4' energy: -61.828
flat angles P-C4'-P energy: -37.218
tors. eta vs tors. theta energy: -72.338
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: 9
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -837.849710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.849710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.849710 (E_RNA)
where:
Base-Base interactions energy: -554.746
where: short stacking energy: -251.744
Base-Backbone interact. energy: 3.938
local terms energy: -287.042022
where:
bonds (distance) C4'-P energy: -57.883
bonds (distance) P-C4' energy: -65.449
flat angles C4'-P-C4' energy: -54.299
flat angles P-C4'-P energy: -49.356
tors. eta vs tors. theta energy: -60.054
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: 483
Temperature: 1.250000
Total energy: -782.029156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.029156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.029156 (E_RNA)
where:
Base-Base interactions energy: -514.759
where: short stacking energy: -213.321
Base-Backbone interact. energy: -0.636
local terms energy: -266.634520
where:
bonds (distance) C4'-P energy: -56.849
bonds (distance) P-C4' energy: -63.327
flat angles C4'-P-C4' energy: -52.954
flat angles P-C4'-P energy: -34.091
tors. eta vs tors. theta energy: -59.414
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: 5
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -585.378190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.378190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.378190 (E_RNA)
where:
Base-Base interactions energy: -364.596
where: short stacking energy: -174.957
Base-Backbone interact. energy: -0.935
local terms energy: -219.847358
where:
bonds (distance) C4'-P energy: -49.360
bonds (distance) P-C4' energy: -45.765
flat angles C4'-P-C4' energy: -60.431
flat angles P-C4'-P energy: -34.437
tors. eta vs tors. theta energy: -29.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -287.191323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.191323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.191323 (E_RNA)
where:
Base-Base interactions energy: -95.395
where: short stacking energy: -83.173
Base-Backbone interact. energy: -1.634
local terms energy: -190.162506
where:
bonds (distance) C4'-P energy: -53.895
bonds (distance) P-C4' energy: -56.753
flat angles C4'-P-C4' energy: -55.589
flat angles P-C4'-P energy: -29.307
tors. eta vs tors. theta energy: 5.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -1201.487812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.487812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.487812 (E_RNA)
where:
Base-Base interactions energy: -836.848
where: short stacking energy: -375.511
Base-Backbone interact. energy: -1.075
local terms energy: -363.565326
where:
bonds (distance) C4'-P energy: -63.097
bonds (distance) P-C4' energy: -60.957
flat angles C4'-P-C4' energy: -75.193
flat angles P-C4'-P energy: -51.623
tors. eta vs tors. theta energy: -112.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -1136.632457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.632457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.632457 (E_RNA)
where:
Base-Base interactions energy: -763.235
where: short stacking energy: -333.330
Base-Backbone interact. energy: -1.330
local terms energy: -372.067460
where:
bonds (distance) C4'-P energy: -71.340
bonds (distance) P-C4' energy: -71.971
flat angles C4'-P-C4' energy: -80.429
flat angles P-C4'-P energy: -55.884
tors. eta vs tors. theta energy: -92.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -1124.634154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.634154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.634154 (E_RNA)
where:
Base-Base interactions energy: -780.673
where: short stacking energy: -333.995
Base-Backbone interact. energy: -1.436
local terms energy: -342.525847
where:
bonds (distance) C4'-P energy: -68.852
bonds (distance) P-C4' energy: -65.237
flat angles C4'-P-C4' energy: -72.451
flat angles P-C4'-P energy: -45.482
tors. eta vs tors. theta energy: -90.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -987.267009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.267009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.267009 (E_RNA)
where:
Base-Base interactions energy: -654.989
where: short stacking energy: -277.983
Base-Backbone interact. energy: -1.289
local terms energy: -330.989305
where:
bonds (distance) C4'-P energy: -69.492
bonds (distance) P-C4' energy: -73.670
flat angles C4'-P-C4' energy: -66.107
flat angles P-C4'-P energy: -45.085
tors. eta vs tors. theta energy: -76.635
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: 5, replica: 10
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -971.826286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.826286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.826286 (E_RNA)
where:
Base-Base interactions energy: -667.313
where: short stacking energy: -279.271
Base-Backbone interact. energy: -1.354
local terms energy: -303.158749
where:
bonds (distance) C4'-P energy: -59.555
bonds (distance) P-C4' energy: -61.673
flat angles C4'-P-C4' energy: -67.575
flat angles P-C4'-P energy: -37.039
tors. eta vs tors. theta energy: -77.316
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: 4
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -857.314683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.314683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.314683 (E_RNA)
where:
Base-Base interactions energy: -578.403
where: short stacking energy: -259.558
Base-Backbone interact. energy: -0.387
local terms energy: -278.525407
where:
bonds (distance) C4'-P energy: -60.043
bonds (distance) P-C4' energy: -52.537
flat angles C4'-P-C4' energy: -63.153
flat angles P-C4'-P energy: -39.526
tors. eta vs tors. theta energy: -63.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -823.918535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.918535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.918535 (E_RNA)
where:
Base-Base interactions energy: -571.681
where: short stacking energy: -233.316
Base-Backbone interact. energy: -0.550
local terms energy: -251.687673
where:
bonds (distance) C4'-P energy: -53.246
bonds (distance) P-C4' energy: -45.839
flat angles C4'-P-C4' energy: -56.708
flat angles P-C4'-P energy: -39.701
tors. eta vs tors. theta energy: -56.194
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: 484
Temperature: 1.250000
Total energy: -778.136201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.136201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.136201 (E_RNA)
where:
Base-Base interactions energy: -534.270
where: short stacking energy: -215.648
Base-Backbone interact. energy: -1.425
local terms energy: -242.441063
where:
bonds (distance) C4'-P energy: -50.206
bonds (distance) P-C4' energy: -53.486
flat angles C4'-P-C4' energy: -64.411
flat angles P-C4'-P energy: -30.125
tors. eta vs tors. theta energy: -44.212
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: 9, replica: 5
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -615.040619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.040619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.040619 (E_RNA)
where:
Base-Base interactions energy: -405.384
where: short stacking energy: -178.770
Base-Backbone interact. energy: -0.968
local terms energy: -208.688704
where:
bonds (distance) C4'-P energy: -41.597
bonds (distance) P-C4' energy: -58.085
flat angles C4'-P-C4' energy: -47.062
flat angles P-C4'-P energy: -29.335
tors. eta vs tors. theta energy: -32.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -275.936272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.936272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.936272 (E_RNA)
where:
Base-Base interactions energy: -93.236
where: short stacking energy: -53.901
Base-Backbone interact. energy: -0.744
local terms energy: -181.956195
where:
bonds (distance) C4'-P energy: -49.393
bonds (distance) P-C4' energy: -65.477
flat angles C4'-P-C4' energy: -53.981
flat angles P-C4'-P energy: -18.365
tors. eta vs tors. theta energy: 5.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -1215.254917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.254917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.254917 (E_RNA)
where:
Base-Base interactions energy: -847.432
where: short stacking energy: -356.284
Base-Backbone interact. energy: 1.779
local terms energy: -369.602459
where:
bonds (distance) C4'-P energy: -68.221
bonds (distance) P-C4' energy: -68.055
flat angles C4'-P-C4' energy: -74.777
flat angles P-C4'-P energy: -48.579
tors. eta vs tors. theta energy: -109.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -1126.496484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.496484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.496484 (E_RNA)
where:
Base-Base interactions energy: -781.417
where: short stacking energy: -334.530
Base-Backbone interact. energy: -0.334
local terms energy: -344.745840
where:
bonds (distance) C4'-P energy: -62.220
bonds (distance) P-C4' energy: -64.393
flat angles C4'-P-C4' energy: -70.784
flat angles P-C4'-P energy: -50.211
tors. eta vs tors. theta energy: -97.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -1101.704287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.704287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.704287 (E_RNA)
where:
Base-Base interactions energy: -773.715
where: short stacking energy: -341.309
Base-Backbone interact. energy: -0.931
local terms energy: -327.058837
where:
bonds (distance) C4'-P energy: -58.303
bonds (distance) P-C4' energy: -53.213
flat angles C4'-P-C4' energy: -76.084
flat angles P-C4'-P energy: -39.876
tors. eta vs tors. theta energy: -99.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -1019.412965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.412965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.412965 (E_RNA)
where:
Base-Base interactions energy: -689.373
where: short stacking energy: -299.233
Base-Backbone interact. energy: -2.145
local terms energy: -327.895741
where:
bonds (distance) C4'-P energy: -58.307
bonds (distance) P-C4' energy: -61.980
flat angles C4'-P-C4' energy: -69.348
flat angles P-C4'-P energy: -57.523
tors. eta vs tors. theta energy: -80.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -939.943327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.943327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.943327 (E_RNA)
where:
Base-Base interactions energy: -638.484
where: short stacking energy: -269.326
Base-Backbone interact. energy: -2.268
local terms energy: -299.191696
where:
bonds (distance) C4'-P energy: -62.780
bonds (distance) P-C4' energy: -61.512
flat angles C4'-P-C4' energy: -71.727
flat angles P-C4'-P energy: -31.435
tors. eta vs tors. theta energy: -71.737
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: 6, replica: 9
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -809.451967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.451967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.451967 (E_RNA)
where:
Base-Base interactions energy: -556.073
where: short stacking energy: -239.278
Base-Backbone interact. energy: -0.836
local terms energy: -252.543095
where:
bonds (distance) C4'-P energy: -54.833
bonds (distance) P-C4' energy: -38.309
flat angles C4'-P-C4' energy: -68.077
flat angles P-C4'-P energy: -37.206
tors. eta vs tors. theta energy: -54.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -881.107988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.107988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.107988 (E_RNA)
where:
Base-Base interactions energy: -591.000
where: short stacking energy: -262.881
Base-Backbone interact. energy: -0.567
local terms energy: -289.541625
where:
bonds (distance) C4'-P energy: -63.274
bonds (distance) P-C4' energy: -54.161
flat angles C4'-P-C4' energy: -60.368
flat angles P-C4'-P energy: -41.809
tors. eta vs tors. theta energy: -69.930
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: 8
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -729.281759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.281759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.281759 (E_RNA)
where:
Base-Base interactions energy: -490.517
where: short stacking energy: -182.960
Base-Backbone interact. energy: 2.554
local terms energy: -241.318794
where:
bonds (distance) C4'-P energy: -49.642
bonds (distance) P-C4' energy: -60.058
flat angles C4'-P-C4' energy: -62.277
flat angles P-C4'-P energy: -31.542
tors. eta vs tors. theta energy: -37.799
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: 5
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -658.365226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.365226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.365226 (E_RNA)
where:
Base-Base interactions energy: -433.201
where: short stacking energy: -204.586
Base-Backbone interact. energy: -0.382
local terms energy: -224.782185
where:
bonds (distance) C4'-P energy: -45.759
bonds (distance) P-C4' energy: -47.078
flat angles C4'-P-C4' energy: -50.719
flat angles P-C4'-P energy: -39.809
tors. eta vs tors. theta energy: -41.418
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: 10, replica: 7
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -280.488138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.488138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.488138 (E_RNA)
where:
Base-Base interactions energy: -115.161
where: short stacking energy: -88.906
Base-Backbone interact. energy: 3.811
local terms energy: -169.137297
where:
bonds (distance) C4'-P energy: -56.177
bonds (distance) P-C4' energy: -52.026
flat angles C4'-P-C4' energy: -40.614
flat angles P-C4'-P energy: -22.020
tors. eta vs tors. theta energy: 1.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -1197.184998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.184998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.184998 (E_RNA)
where:
Base-Base interactions energy: -842.075
where: short stacking energy: -365.050
Base-Backbone interact. energy: -0.814
local terms energy: -354.295868
where:
bonds (distance) C4'-P energy: -63.096
bonds (distance) P-C4' energy: -61.032
flat angles C4'-P-C4' energy: -76.041
flat angles P-C4'-P energy: -47.132
tors. eta vs tors. theta energy: -106.995
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: 486
Temperature: 0.950000
Total energy: -1117.007500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.007500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.007500 (E_RNA)
where:
Base-Base interactions energy: -783.430
where: short stacking energy: -325.286
Base-Backbone interact. energy: -0.397
local terms energy: -333.181187
where:
bonds (distance) C4'-P energy: -52.629
bonds (distance) P-C4' energy: -63.283
flat angles C4'-P-C4' energy: -77.791
flat angles P-C4'-P energy: -46.695
tors. eta vs tors. theta energy: -92.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -1091.641375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.641375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.641375 (E_RNA)
where:
Base-Base interactions energy: -752.121
where: short stacking energy: -332.959
Base-Backbone interact. energy: -1.524
local terms energy: -337.996327
where:
bonds (distance) C4'-P energy: -60.255
bonds (distance) P-C4' energy: -57.741
flat angles C4'-P-C4' energy: -73.788
flat angles P-C4'-P energy: -45.007
tors. eta vs tors. theta energy: -101.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -1000.488347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.488347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.488347 (E_RNA)
where:
Base-Base interactions energy: -695.233
where: short stacking energy: -303.629
Base-Backbone interact. energy: -0.064
local terms energy: -305.190858
where:
bonds (distance) C4'-P energy: -59.533
bonds (distance) P-C4' energy: -58.425
flat angles C4'-P-C4' energy: -65.886
flat angles P-C4'-P energy: -43.796
tors. eta vs tors. theta energy: -77.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -984.553277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.553277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.553277 (E_RNA)
where:
Base-Base interactions energy: -678.252
where: short stacking energy: -306.483
Base-Backbone interact. energy: -1.224
local terms energy: -305.077241
where:
bonds (distance) C4'-P energy: -63.065
bonds (distance) P-C4' energy: -60.479
flat angles C4'-P-C4' energy: -66.500
flat angles P-C4'-P energy: -32.928
tors. eta vs tors. theta energy: -82.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -823.548364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.548364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.548364 (E_RNA)
where:
Base-Base interactions energy: -547.254
where: short stacking energy: -235.573
Base-Backbone interact. energy: -0.489
local terms energy: -275.806245
where:
bonds (distance) C4'-P energy: -69.148
bonds (distance) P-C4' energy: -58.968
flat angles C4'-P-C4' energy: -55.649
flat angles P-C4'-P energy: -34.363
tors. eta vs tors. theta energy: -57.678
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: 7, replica: 4
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -857.187978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.187978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.187978 (E_RNA)
where:
Base-Base interactions energy: -570.259
where: short stacking energy: -238.456
Base-Backbone interact. energy: -1.000
local terms energy: -285.929229
where:
bonds (distance) C4'-P energy: -51.166
bonds (distance) P-C4' energy: -60.351
flat angles C4'-P-C4' energy: -59.203
flat angles P-C4'-P energy: -49.699
tors. eta vs tors. theta energy: -65.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -711.687301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.687301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.687301 (E_RNA)
where:
Base-Base interactions energy: -476.796
where: short stacking energy: -203.558
Base-Backbone interact. energy: 2.064
local terms energy: -236.954622
where:
bonds (distance) C4'-P energy: -49.173
bonds (distance) P-C4' energy: -60.518
flat angles C4'-P-C4' energy: -44.764
flat angles P-C4'-P energy: -34.620
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: 9, replica: 5
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -653.039217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.039217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.039217 (E_RNA)
where:
Base-Base interactions energy: -422.819
where: short stacking energy: -189.049
Base-Backbone interact. energy: 1.581
local terms energy: -231.801216
where:
bonds (distance) C4'-P energy: -63.373
bonds (distance) P-C4' energy: -52.020
flat angles C4'-P-C4' energy: -50.727
flat angles P-C4'-P energy: -31.214
tors. eta vs tors. theta energy: -34.467
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: 10, replica: 7
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -321.262504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.262504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.262504 (E_RNA)
where:
Base-Base interactions energy: -154.462
where: short stacking energy: -90.167
Base-Backbone interact. energy: -0.623
local terms energy: -166.177337
where:
bonds (distance) C4'-P energy: -56.819
bonds (distance) P-C4' energy: -60.005
flat angles C4'-P-C4' energy: -29.865
flat angles P-C4'-P energy: -26.835
tors. eta vs tors. theta energy: 7.347
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: 1, replica: 1
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -1229.600179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.600179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.600179 (E_RNA)
where:
Base-Base interactions energy: -850.498
where: short stacking energy: -368.023
Base-Backbone interact. energy: 0.110
local terms energy: -379.211880
where:
bonds (distance) C4'-P energy: -66.693
bonds (distance) P-C4' energy: -69.841
flat angles C4'-P-C4' energy: -78.573
flat angles P-C4'-P energy: -50.796
tors. eta vs tors. theta energy: -113.309
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: 487
Temperature: 0.950000
Total energy: -1139.720192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.720192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.720192 (E_RNA)
where:
Base-Base interactions energy: -772.107
where: short stacking energy: -347.831
Base-Backbone interact. energy: -2.014
local terms energy: -365.599205
where:
bonds (distance) C4'-P energy: -61.055
bonds (distance) P-C4' energy: -69.541
flat angles C4'-P-C4' energy: -71.179
flat angles P-C4'-P energy: -55.090
tors. eta vs tors. theta energy: -108.734
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: 3, replica: 2
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -1093.776385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.776385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.776385 (E_RNA)
where:
Base-Base interactions energy: -765.728
where: short stacking energy: -322.580
Base-Backbone interact. energy: -0.741
local terms energy: -327.306502
where:
bonds (distance) C4'-P energy: -53.128
bonds (distance) P-C4' energy: -68.418
flat angles C4'-P-C4' energy: -72.499
flat angles P-C4'-P energy: -47.470
tors. eta vs tors. theta energy: -85.792
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: 4, replica: 3
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -984.151994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.151994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.151994 (E_RNA)
where:
Base-Base interactions energy: -650.512
where: short stacking energy: -298.240
Base-Backbone interact. energy: -1.518
local terms energy: -332.121925
where:
bonds (distance) C4'-P energy: -70.115
bonds (distance) P-C4' energy: -66.672
flat angles C4'-P-C4' energy: -67.613
flat angles P-C4'-P energy: -44.658
tors. eta vs tors. theta energy: -83.063
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: 10
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -1042.539485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.539485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.539485 (E_RNA)
where:
Base-Base interactions energy: -736.197
where: short stacking energy: -318.168
Base-Backbone interact. energy: 2.063
local terms energy: -308.404734
where:
bonds (distance) C4'-P energy: -53.401
bonds (distance) P-C4' energy: -55.036
flat angles C4'-P-C4' energy: -70.133
flat angles P-C4'-P energy: -43.594
tors. eta vs tors. theta energy: -86.241
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: 4
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -849.209835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.209835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.209835 (E_RNA)
where:
Base-Base interactions energy: -569.067
where: short stacking energy: -250.733
Base-Backbone interact. energy: -0.470
local terms energy: -279.672904
where:
bonds (distance) C4'-P energy: -60.918
bonds (distance) P-C4' energy: -49.399
flat angles C4'-P-C4' energy: -68.143
flat angles P-C4'-P energy: -35.673
tors. eta vs tors. theta energy: -65.540
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: 9
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -830.020690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.020690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.020690 (E_RNA)
where:
Base-Base interactions energy: -567.143
where: short stacking energy: -248.679
Base-Backbone interact. energy: -0.869
local terms energy: -262.008215
where:
bonds (distance) C4'-P energy: -55.760
bonds (distance) P-C4' energy: -55.762
flat angles C4'-P-C4' energy: -55.623
flat angles P-C4'-P energy: -33.792
tors. eta vs tors. theta energy: -61.071
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: 487
Temperature: 1.250000
Total energy: -736.539040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.539040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.539040 (E_RNA)
where:
Base-Base interactions energy: -475.279
where: short stacking energy: -208.667
Base-Backbone interact. energy: -2.167
local terms energy: -259.092911
where:
bonds (distance) C4'-P energy: -43.740
bonds (distance) P-C4' energy: -58.055
flat angles C4'-P-C4' energy: -57.199
flat angles P-C4'-P energy: -50.052
tors. eta vs tors. theta energy: -50.047
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: 9, replica: 5
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -632.486537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.486537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.486537 (E_RNA)
where:
Base-Base interactions energy: -399.163
where: short stacking energy: -183.011
Base-Backbone interact. energy: 1.874
local terms energy: -235.197905
where:
bonds (distance) C4'-P energy: -52.602
bonds (distance) P-C4' energy: -55.116
flat angles C4'-P-C4' energy: -64.263
flat angles P-C4'-P energy: -27.182
tors. eta vs tors. theta energy: -36.036
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: 10, replica: 7
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -347.987339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.987339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.987339 (E_RNA)
where:
Base-Base interactions energy: -162.990
where: short stacking energy: -118.836
Base-Backbone interact. energy: 2.838
local terms energy: -187.834757
where:
bonds (distance) C4'-P energy: -56.384
bonds (distance) P-C4' energy: -64.673
flat angles C4'-P-C4' energy: -32.383
flat angles P-C4'-P energy: -32.089
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: 1, replica: 6
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -1165.588873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.588873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.588873 (E_RNA)
where:
Base-Base interactions energy: -805.176
where: short stacking energy: -349.423
Base-Backbone interact. energy: -1.904
local terms energy: -358.509417
where:
bonds (distance) C4'-P energy: -64.550
bonds (distance) P-C4' energy: -62.119
flat angles C4'-P-C4' energy: -70.496
flat angles P-C4'-P energy: -55.696
tors. eta vs tors. theta energy: -105.648
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: 1
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -1179.441332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.441332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.441332 (E_RNA)
where:
Base-Base interactions energy: -828.916
where: short stacking energy: -364.369
Base-Backbone interact. energy: -0.318
local terms energy: -350.208101
where:
bonds (distance) C4'-P energy: -61.224
bonds (distance) P-C4' energy: -61.077
flat angles C4'-P-C4' energy: -68.327
flat angles P-C4'-P energy: -48.552
tors. eta vs tors. theta energy: -111.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -1090.002062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.002062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.002062 (E_RNA)
where:
Base-Base interactions energy: -758.857
where: short stacking energy: -316.786
Base-Backbone interact. energy: -1.120
local terms energy: -330.025800
where:
bonds (distance) C4'-P energy: -67.396
bonds (distance) P-C4' energy: -54.190
flat angles C4'-P-C4' energy: -65.116
flat angles P-C4'-P energy: -52.392
tors. eta vs tors. theta energy: -90.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -1003.065067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.065067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.065067 (E_RNA)
where:
Base-Base interactions energy: -685.758
where: short stacking energy: -279.776
Base-Backbone interact. energy: 1.623
local terms energy: -318.930200
where:
bonds (distance) C4'-P energy: -60.067
bonds (distance) P-C4' energy: -63.593
flat angles C4'-P-C4' energy: -56.558
flat angles P-C4'-P energy: -60.144
tors. eta vs tors. theta energy: -78.569
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: 10
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -1022.599698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.599698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.599698 (E_RNA)
where:
Base-Base interactions energy: -697.063
where: short stacking energy: -306.244
Base-Backbone interact. energy: -0.677
local terms energy: -324.860169
where:
bonds (distance) C4'-P energy: -57.514
bonds (distance) P-C4' energy: -58.604
flat angles C4'-P-C4' energy: -69.069
flat angles P-C4'-P energy: -49.384
tors. eta vs tors. theta energy: -90.289
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: 4
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -854.564049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.564049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.564049 (E_RNA)
where:
Base-Base interactions energy: -562.218
where: short stacking energy: -277.305
Base-Backbone interact. energy: -1.282
local terms energy: -291.064184
where:
bonds (distance) C4'-P energy: -56.472
bonds (distance) P-C4' energy: -59.688
flat angles C4'-P-C4' energy: -64.288
flat angles P-C4'-P energy: -39.979
tors. eta vs tors. theta energy: -70.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -754.537000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.537000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.537000 (E_RNA)
where:
Base-Base interactions energy: -486.522
where: short stacking energy: -206.992
Base-Backbone interact. energy: -0.865
local terms energy: -267.150010
where:
bonds (distance) C4'-P energy: -50.971
bonds (distance) P-C4' energy: -60.801
flat angles C4'-P-C4' energy: -61.901
flat angles P-C4'-P energy: -42.760
tors. eta vs tors. theta energy: -50.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -777.595969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.595969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.595969 (E_RNA)
where:
Base-Base interactions energy: -527.414
where: short stacking energy: -226.809
Base-Backbone interact. energy: 1.217
local terms energy: -251.398445
where:
bonds (distance) C4'-P energy: -54.813
bonds (distance) P-C4' energy: -54.823
flat angles C4'-P-C4' energy: -55.237
flat angles P-C4'-P energy: -39.846
tors. eta vs tors. theta energy: -46.679
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: 5
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -643.464073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.464073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.464073 (E_RNA)
where:
Base-Base interactions energy: -391.581
where: short stacking energy: -176.005
Base-Backbone interact. energy: 1.735
local terms energy: -253.618178
where:
bonds (distance) C4'-P energy: -56.628
bonds (distance) P-C4' energy: -58.389
flat angles C4'-P-C4' energy: -62.680
flat angles P-C4'-P energy: -36.414
tors. eta vs tors. theta energy: -39.507
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: 7
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -320.505180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.505180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.505180 (E_RNA)
where:
Base-Base interactions energy: -150.748
where: short stacking energy: -109.182
Base-Backbone interact. energy: 2.255
local terms energy: -172.011626
where:
bonds (distance) C4'-P energy: -51.932
bonds (distance) P-C4' energy: -49.995
flat angles C4'-P-C4' energy: -44.561
flat angles P-C4'-P energy: -34.879
tors. eta vs tors. theta energy: 9.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -1169.268698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.268698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.268698 (E_RNA)
where:
Base-Base interactions energy: -795.023
where: short stacking energy: -347.160
Base-Backbone interact. energy: -1.304
local terms energy: -372.941273
where:
bonds (distance) C4'-P energy: -71.332
bonds (distance) P-C4' energy: -72.992
flat angles C4'-P-C4' energy: -80.598
flat angles P-C4'-P energy: -41.265
tors. eta vs tors. theta energy: -106.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -1122.025413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.025413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.025413 (E_RNA)
where:
Base-Base interactions energy: -782.146
where: short stacking energy: -324.965
Base-Backbone interact. energy: -1.875
local terms energy: -338.003915
where:
bonds (distance) C4'-P energy: -61.406
bonds (distance) P-C4' energy: -67.506
flat angles C4'-P-C4' energy: -72.513
flat angles P-C4'-P energy: -43.671
tors. eta vs tors. theta energy: -92.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -1162.986326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.986326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.986326 (E_RNA)
where:
Base-Base interactions energy: -795.809
where: short stacking energy: -347.895
Base-Backbone interact. energy: -1.054
local terms energy: -366.123864
where:
bonds (distance) C4'-P energy: -65.321
bonds (distance) P-C4' energy: -61.946
flat angles C4'-P-C4' energy: -78.010
flat angles P-C4'-P energy: -48.812
tors. eta vs tors. theta energy: -112.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -1032.162338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.162338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.162338 (E_RNA)
where:
Base-Base interactions energy: -706.952
where: short stacking energy: -297.959
Base-Backbone interact. energy: -1.090
local terms energy: -324.119477
where:
bonds (distance) C4'-P energy: -62.284
bonds (distance) P-C4' energy: -61.785
flat angles C4'-P-C4' energy: -69.002
flat angles P-C4'-P energy: -53.635
tors. eta vs tors. theta energy: -77.414
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: 3
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -968.117702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.117702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.117702 (E_RNA)
where:
Base-Base interactions energy: -656.113
where: short stacking energy: -283.150
Base-Backbone interact. energy: 0.227
local terms energy: -312.231321
where:
bonds (distance) C4'-P energy: -71.201
bonds (distance) P-C4' energy: -58.757
flat angles C4'-P-C4' energy: -68.368
flat angles P-C4'-P energy: -36.573
tors. eta vs tors. theta energy: -77.332
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: 4
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -840.265217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.265217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.265217 (E_RNA)
where:
Base-Base interactions energy: -538.877
where: short stacking energy: -245.121
Base-Backbone interact. energy: -2.334
local terms energy: -299.054167
where:
bonds (distance) C4'-P energy: -59.309
bonds (distance) P-C4' energy: -57.309
flat angles C4'-P-C4' energy: -72.065
flat angles P-C4'-P energy: -39.494
tors. eta vs tors. theta energy: -70.876
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: 7, replica: 8
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -781.989829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.989829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.989829 (E_RNA)
where:
Base-Base interactions energy: -535.663
where: short stacking energy: -220.184
Base-Backbone interact. energy: -1.058
local terms energy: -245.268750
where:
bonds (distance) C4'-P energy: -61.402
bonds (distance) P-C4' energy: -56.313
flat angles C4'-P-C4' energy: -61.790
flat angles P-C4'-P energy: -26.091
tors. eta vs tors. theta energy: -39.673
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: 8, replica: 9
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -810.773964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.773964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.773964 (E_RNA)
where:
Base-Base interactions energy: -547.292
where: short stacking energy: -252.022
Base-Backbone interact. energy: 1.580
local terms energy: -265.062272
where:
bonds (distance) C4'-P energy: -44.871
bonds (distance) P-C4' energy: -51.910
flat angles C4'-P-C4' energy: -63.949
flat angles P-C4'-P energy: -33.965
tors. eta vs tors. theta energy: -70.367
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: 5
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -597.285430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.285430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.285430 (E_RNA)
where:
Base-Base interactions energy: -379.106
where: short stacking energy: -172.812
Base-Backbone interact. energy: -1.902
local terms energy: -216.277611
where:
bonds (distance) C4'-P energy: -51.621
bonds (distance) P-C4' energy: -55.274
flat angles C4'-P-C4' energy: -47.573
flat angles P-C4'-P energy: -33.715
tors. eta vs tors. theta energy: -28.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -330.801489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.801489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.801489 (E_RNA)
where:
Base-Base interactions energy: -133.164
where: short stacking energy: -82.625
Base-Backbone interact. energy: 0.027
local terms energy: -197.663923
where:
bonds (distance) C4'-P energy: -50.058
bonds (distance) P-C4' energy: -71.379
flat angles C4'-P-C4' energy: -56.027
flat angles P-C4'-P energy: -27.432
tors. eta vs tors. theta energy: 7.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -1153.703402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.703402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.703402 (E_RNA)
where:
Base-Base interactions energy: -789.481
where: short stacking energy: -352.216
Base-Backbone interact. energy: -1.224
local terms energy: -362.999319
where:
bonds (distance) C4'-P energy: -68.748
bonds (distance) P-C4' energy: -66.502
flat angles C4'-P-C4' energy: -70.105
flat angles P-C4'-P energy: -51.300
tors. eta vs tors. theta energy: -106.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -1142.981846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.981846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.981846 (E_RNA)
where:
Base-Base interactions energy: -784.736
where: short stacking energy: -335.336
Base-Backbone interact. energy: -0.575
local terms energy: -357.670690
where:
bonds (distance) C4'-P energy: -67.729
bonds (distance) P-C4' energy: -67.614
flat angles C4'-P-C4' energy: -81.836
flat angles P-C4'-P energy: -47.706
tors. eta vs tors. theta energy: -92.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -1165.088725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.088725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.088725 (E_RNA)
where:
Base-Base interactions energy: -809.704
where: short stacking energy: -365.275
Base-Backbone interact. energy: -1.860
local terms energy: -353.524737
where:
bonds (distance) C4'-P energy: -58.655
bonds (distance) P-C4' energy: -67.476
flat angles C4'-P-C4' energy: -75.090
flat angles P-C4'-P energy: -42.223
tors. eta vs tors. theta energy: -110.081
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: 490
Temperature: 1.050000
Total energy: -1020.359453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.359453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.359453 (E_RNA)
where:
Base-Base interactions energy: -690.241
where: short stacking energy: -296.345
Base-Backbone interact. energy: -0.228
local terms energy: -329.890190
where:
bonds (distance) C4'-P energy: -57.319
bonds (distance) P-C4' energy: -71.623
flat angles C4'-P-C4' energy: -70.443
flat angles P-C4'-P energy: -49.648
tors. eta vs tors. theta energy: -80.857
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: 3
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -992.510596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.510596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.510596 (E_RNA)
where:
Base-Base interactions energy: -695.382
where: short stacking energy: -296.888
Base-Backbone interact. energy: 1.102
local terms energy: -298.230552
where:
bonds (distance) C4'-P energy: -62.019
bonds (distance) P-C4' energy: -47.555
flat angles C4'-P-C4' energy: -69.843
flat angles P-C4'-P energy: -33.384
tors. eta vs tors. theta energy: -85.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -911.851598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.851598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.851598 (E_RNA)
where:
Base-Base interactions energy: -639.024
where: short stacking energy: -259.195
Base-Backbone interact. energy: -1.350
local terms energy: -271.477840
where:
bonds (distance) C4'-P energy: -53.641
bonds (distance) P-C4' energy: -58.395
flat angles C4'-P-C4' energy: -60.940
flat angles P-C4'-P energy: -33.075
tors. eta vs tors. theta energy: -65.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -815.677408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.677408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.677408 (E_RNA)
where:
Base-Base interactions energy: -551.342
where: short stacking energy: -233.681
Base-Backbone interact. energy: 0.030
local terms energy: -264.364897
where:
bonds (distance) C4'-P energy: -46.132
bonds (distance) P-C4' energy: -61.953
flat angles C4'-P-C4' energy: -67.627
flat angles P-C4'-P energy: -32.632
tors. eta vs tors. theta energy: -56.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -756.806794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.806794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.806794 (E_RNA)
where:
Base-Base interactions energy: -494.358
where: short stacking energy: -205.270
Base-Backbone interact. energy: -0.477
local terms energy: -261.971419
where:
bonds (distance) C4'-P energy: -65.167
bonds (distance) P-C4' energy: -63.409
flat angles C4'-P-C4' energy: -64.930
flat angles P-C4'-P energy: -35.160
tors. eta vs tors. theta energy: -33.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -614.040208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.040208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.040208 (E_RNA)
where:
Base-Base interactions energy: -384.015
where: short stacking energy: -196.334
Base-Backbone interact. energy: -0.963
local terms energy: -229.062544
where:
bonds (distance) C4'-P energy: -42.521
bonds (distance) P-C4' energy: -55.588
flat angles C4'-P-C4' energy: -57.988
flat angles P-C4'-P energy: -39.181
tors. eta vs tors. theta energy: -33.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -371.030313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.030313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.030313 (E_RNA)
where:
Base-Base interactions energy: -201.534
where: short stacking energy: -113.399
Base-Backbone interact. energy: -0.188
local terms energy: -169.308650
where:
bonds (distance) C4'-P energy: -60.698
bonds (distance) P-C4' energy: -41.560
flat angles C4'-P-C4' energy: -41.295
flat angles P-C4'-P energy: -27.164
tors. eta vs tors. theta energy: 1.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -1161.519877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.519877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.519877 (E_RNA)
where:
Base-Base interactions energy: -779.332
where: short stacking energy: -356.075
Base-Backbone interact. energy: -1.157
local terms energy: -381.030129
where:
bonds (distance) C4'-P energy: -76.946
bonds (distance) P-C4' energy: -65.972
flat angles C4'-P-C4' energy: -77.882
flat angles P-C4'-P energy: -56.527
tors. eta vs tors. theta energy: -103.704
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: 1
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -1179.479319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.479319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.479319 (E_RNA)
where:
Base-Base interactions energy: -808.415
where: short stacking energy: -360.418
Base-Backbone interact. energy: -0.801
local terms energy: -370.262859
where:
bonds (distance) C4'-P energy: -64.076
bonds (distance) P-C4' energy: -67.824
flat angles C4'-P-C4' energy: -79.609
flat angles P-C4'-P energy: -53.212
tors. eta vs tors. theta energy: -105.542
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: 2
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -1103.465281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.465281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.465281 (E_RNA)
where:
Base-Base interactions energy: -753.650
where: short stacking energy: -344.140
Base-Backbone interact. energy: -0.005
local terms energy: -349.810034
where:
bonds (distance) C4'-P energy: -54.813
bonds (distance) P-C4' energy: -67.818
flat angles C4'-P-C4' energy: -77.173
flat angles P-C4'-P energy: -54.278
tors. eta vs tors. theta energy: -95.727
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: 10
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -1030.950389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.950389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.950389 (E_RNA)
where:
Base-Base interactions energy: -695.225
where: short stacking energy: -312.883
Base-Backbone interact. energy: -2.099
local terms energy: -333.627062
where:
bonds (distance) C4'-P energy: -65.246
bonds (distance) P-C4' energy: -62.494
flat angles C4'-P-C4' energy: -73.512
flat angles P-C4'-P energy: -46.366
tors. eta vs tors. theta energy: -86.009
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: 5, replica: 3
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -991.720508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.720508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.720508 (E_RNA)
where:
Base-Base interactions energy: -687.895
where: short stacking energy: -297.542
Base-Backbone interact. energy: -2.312
local terms energy: -301.513796
where:
bonds (distance) C4'-P energy: -57.197
bonds (distance) P-C4' energy: -55.836
flat angles C4'-P-C4' energy: -68.410
flat angles P-C4'-P energy: -47.786
tors. eta vs tors. theta energy: -72.285
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: 491
Temperature: 1.150000
Total energy: -876.273970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.273970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.273970 (E_RNA)
where:
Base-Base interactions energy: -592.544
where: short stacking energy: -251.847
Base-Backbone interact. energy: -0.770
local terms energy: -282.960150
where:
bonds (distance) C4'-P energy: -68.544
bonds (distance) P-C4' energy: -49.181
flat angles C4'-P-C4' energy: -64.660
flat angles P-C4'-P energy: -41.539
tors. eta vs tors. theta energy: -59.036
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: 7, replica: 9
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -774.279013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.279013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.279013 (E_RNA)
where:
Base-Base interactions energy: -484.222
where: short stacking energy: -219.396
Base-Backbone interact. energy: -0.553
local terms energy: -289.504617
where:
bonds (distance) C4'-P energy: -65.861
bonds (distance) P-C4' energy: -64.793
flat angles C4'-P-C4' energy: -70.896
flat angles P-C4'-P energy: -31.320
tors. eta vs tors. theta energy: -56.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -734.226885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.226885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.226885 (E_RNA)
where:
Base-Base interactions energy: -488.093
where: short stacking energy: -202.552
Base-Backbone interact. energy: -2.537
local terms energy: -243.596970
where:
bonds (distance) C4'-P energy: -55.838
bonds (distance) P-C4' energy: -52.250
flat angles C4'-P-C4' energy: -58.350
flat angles P-C4'-P energy: -41.251
tors. eta vs tors. theta energy: -35.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -643.493954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.493954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.493954 (E_RNA)
where:
Base-Base interactions energy: -386.257
where: short stacking energy: -184.574
Base-Backbone interact. energy: -2.926
local terms energy: -254.310709
where:
bonds (distance) C4'-P energy: -60.278
bonds (distance) P-C4' energy: -57.816
flat angles C4'-P-C4' energy: -74.406
flat angles P-C4'-P energy: -24.052
tors. eta vs tors. theta energy: -37.759
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: 7
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -371.991345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.991345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.991345 (E_RNA)
where:
Base-Base interactions energy: -170.234
where: short stacking energy: -102.049
Base-Backbone interact. energy: -3.582
local terms energy: -198.175743
where:
bonds (distance) C4'-P energy: -60.437
bonds (distance) P-C4' energy: -49.678
flat angles C4'-P-C4' energy: -59.015
flat angles P-C4'-P energy: -26.284
tors. eta vs tors. theta energy: -2.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -1199.626995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.626995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.626995 (E_RNA)
where:
Base-Base interactions energy: -815.281
where: short stacking energy: -372.197
Base-Backbone interact. energy: -0.218
local terms energy: -384.128654
where:
bonds (distance) C4'-P energy: -64.913
bonds (distance) P-C4' energy: -68.976
flat angles C4'-P-C4' energy: -75.346
flat angles P-C4'-P energy: -51.279
tors. eta vs tors. theta energy: -123.616
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: 6
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -1118.616087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.616087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.616087 (E_RNA)
where:
Base-Base interactions energy: -766.453
where: short stacking energy: -338.211
Base-Backbone interact. energy: -1.779
local terms energy: -350.383815
where:
bonds (distance) C4'-P energy: -61.932
bonds (distance) P-C4' energy: -70.762
flat angles C4'-P-C4' energy: -74.347
flat angles P-C4'-P energy: -48.820
tors. eta vs tors. theta energy: -94.523
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: 2
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -1112.639844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.639844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.639844 (E_RNA)
where:
Base-Base interactions energy: -755.056
where: short stacking energy: -336.385
Base-Backbone interact. energy: -2.240
local terms energy: -355.344271
where:
bonds (distance) C4'-P energy: -61.986
bonds (distance) P-C4' energy: -60.754
flat angles C4'-P-C4' energy: -78.172
flat angles P-C4'-P energy: -57.328
tors. eta vs tors. theta energy: -97.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -1019.551469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.551469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.551469 (E_RNA)
where:
Base-Base interactions energy: -698.593
where: short stacking energy: -305.754
Base-Backbone interact. energy: -0.223
local terms energy: -320.736058
where:
bonds (distance) C4'-P energy: -56.168
bonds (distance) P-C4' energy: -64.982
flat angles C4'-P-C4' energy: -72.711
flat angles P-C4'-P energy: -37.449
tors. eta vs tors. theta energy: -89.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -959.058816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.058816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.058816 (E_RNA)
where:
Base-Base interactions energy: -663.764
where: short stacking energy: -283.957
Base-Backbone interact. energy: -0.749
local terms energy: -294.545865
where:
bonds (distance) C4'-P energy: -62.644
bonds (distance) P-C4' energy: -56.590
flat angles C4'-P-C4' energy: -62.758
flat angles P-C4'-P energy: -41.082
tors. eta vs tors. theta energy: -71.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -877.052810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.052810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.052810 (E_RNA)
where:
Base-Base interactions energy: -593.242
where: short stacking energy: -261.228
Base-Backbone interact. energy: -0.386
local terms energy: -283.424648
where:
bonds (distance) C4'-P energy: -49.936
bonds (distance) P-C4' energy: -65.181
flat angles C4'-P-C4' energy: -53.011
flat angles P-C4'-P energy: -47.591
tors. eta vs tors. theta energy: -67.705
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: 8
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -798.104581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.104581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.104581 (E_RNA)
where:
Base-Base interactions energy: -533.479
where: short stacking energy: -223.278
Base-Backbone interact. energy: 0.226
local terms energy: -264.850969
where:
bonds (distance) C4'-P energy: -57.967
bonds (distance) P-C4' energy: -57.179
flat angles C4'-P-C4' energy: -64.038
flat angles P-C4'-P energy: -35.630
tors. eta vs tors. theta energy: -50.038
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: 9
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -783.624159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.624159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.624159 (E_RNA)
where:
Base-Base interactions energy: -532.651
where: short stacking energy: -235.333
Base-Backbone interact. energy: 1.876
local terms energy: -252.849186
where:
bonds (distance) C4'-P energy: -66.075
bonds (distance) P-C4' energy: -52.717
flat angles C4'-P-C4' energy: -53.771
flat angles P-C4'-P energy: -29.750
tors. eta vs tors. theta energy: -50.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -660.713679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.713679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.713679 (E_RNA)
where:
Base-Base interactions energy: -408.154
where: short stacking energy: -204.374
Base-Backbone interact. energy: 0.107
local terms energy: -252.666397
where:
bonds (distance) C4'-P energy: -58.830
bonds (distance) P-C4' energy: -54.783
flat angles C4'-P-C4' energy: -59.589
flat angles P-C4'-P energy: -35.566
tors. eta vs tors. theta energy: -43.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -371.753604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.753604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.753604 (E_RNA)
where:
Base-Base interactions energy: -182.380
where: short stacking energy: -104.353
Base-Backbone interact. energy: -0.392
local terms energy: -188.981416
where:
bonds (distance) C4'-P energy: -50.130
bonds (distance) P-C4' energy: -49.442
flat angles C4'-P-C4' energy: -49.096
flat angles P-C4'-P energy: -33.746
tors. eta vs tors. theta energy: -6.568
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: 1, replica: 1
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -1197.742606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.742606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.742606 (E_RNA)
where:
Base-Base interactions energy: -829.127
where: short stacking energy: -362.388
Base-Backbone interact. energy: -0.211
local terms energy: -368.404305
where:
bonds (distance) C4'-P energy: -64.531
bonds (distance) P-C4' energy: -65.367
flat angles C4'-P-C4' energy: -74.047
flat angles P-C4'-P energy: -55.499
tors. eta vs tors. theta energy: -108.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -1147.753991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.753991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.753991 (E_RNA)
where:
Base-Base interactions energy: -796.551
where: short stacking energy: -349.688
Base-Backbone interact. energy: 0.310
local terms energy: -351.512039
where:
bonds (distance) C4'-P energy: -60.455
bonds (distance) P-C4' energy: -73.935
flat angles C4'-P-C4' energy: -68.156
flat angles P-C4'-P energy: -53.212
tors. eta vs tors. theta energy: -95.754
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: 6
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -1086.880913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.880913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.880913 (E_RNA)
where:
Base-Base interactions energy: -745.983
where: short stacking energy: -322.165
Base-Backbone interact. energy: -0.715
local terms energy: -340.182726
where:
bonds (distance) C4'-P energy: -60.178
bonds (distance) P-C4' energy: -64.824
flat angles C4'-P-C4' energy: -71.378
flat angles P-C4'-P energy: -43.599
tors. eta vs tors. theta energy: -100.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -983.046199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.046199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.046199 (E_RNA)
where:
Base-Base interactions energy: -673.864
where: short stacking energy: -292.694
Base-Backbone interact. energy: -0.237
local terms energy: -308.945151
where:
bonds (distance) C4'-P energy: -62.245
bonds (distance) P-C4' energy: -59.242
flat angles C4'-P-C4' energy: -61.315
flat angles P-C4'-P energy: -45.181
tors. eta vs tors. theta energy: -80.963
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: 10
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -1013.513126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.513126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.513126 (E_RNA)
where:
Base-Base interactions energy: -697.792
where: short stacking energy: -305.490
Base-Backbone interact. energy: -0.154
local terms energy: -315.566255
where:
bonds (distance) C4'-P energy: -46.830
bonds (distance) P-C4' energy: -55.719
flat angles C4'-P-C4' energy: -75.630
flat angles P-C4'-P energy: -47.194
tors. eta vs tors. theta energy: -90.192
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: 6, replica: 8
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -825.509599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.509599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.509599 (E_RNA)
where:
Base-Base interactions energy: -550.135
where: short stacking energy: -229.288
Base-Backbone interact. energy: -1.796
local terms energy: -273.578524
where:
bonds (distance) C4'-P energy: -57.266
bonds (distance) P-C4' energy: -50.753
flat angles C4'-P-C4' energy: -73.237
flat angles P-C4'-P energy: -35.387
tors. eta vs tors. theta energy: -56.936
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: 7, replica: 4
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -841.341271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.341271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.341271 (E_RNA)
where:
Base-Base interactions energy: -574.349
where: short stacking energy: -241.798
Base-Backbone interact. energy: -0.128
local terms energy: -266.864945
where:
bonds (distance) C4'-P energy: -61.125
bonds (distance) P-C4' energy: -46.586
flat angles C4'-P-C4' energy: -62.057
flat angles P-C4'-P energy: -43.945
tors. eta vs tors. theta energy: -53.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -829.176176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.176176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.176176 (E_RNA)
where:
Base-Base interactions energy: -551.476
where: short stacking energy: -244.152
Base-Backbone interact. energy: -0.257
local terms energy: -277.443365
where:
bonds (distance) C4'-P energy: -51.311
bonds (distance) P-C4' energy: -64.391
flat angles C4'-P-C4' energy: -57.931
flat angles P-C4'-P energy: -31.719
tors. eta vs tors. theta energy: -72.091
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: 9, replica: 5
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -628.902381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.902381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.902381 (E_RNA)
where:
Base-Base interactions energy: -419.124
where: short stacking energy: -187.171
Base-Backbone interact. energy: -1.296
local terms energy: -208.482245
where:
bonds (distance) C4'-P energy: -48.046
bonds (distance) P-C4' energy: -56.038
flat angles C4'-P-C4' energy: -49.967
flat angles P-C4'-P energy: -15.244
tors. eta vs tors. theta energy: -39.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -321.943193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.943193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.943193 (E_RNA)
where:
Base-Base interactions energy: -142.780
where: short stacking energy: -91.847
Base-Backbone interact. energy: -1.358
local terms energy: -177.804841
where:
bonds (distance) C4'-P energy: -53.811
bonds (distance) P-C4' energy: -50.985
flat angles C4'-P-C4' energy: -54.092
flat angles P-C4'-P energy: -18.982
tors. eta vs tors. theta energy: 0.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -1163.552428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.552428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.552428 (E_RNA)
where:
Base-Base interactions energy: -807.097
where: short stacking energy: -356.324
Base-Backbone interact. energy: 0.484
local terms energy: -356.939401
where:
bonds (distance) C4'-P energy: -63.983
bonds (distance) P-C4' energy: -60.597
flat angles C4'-P-C4' energy: -78.620
flat angles P-C4'-P energy: -50.262
tors. eta vs tors. theta energy: -103.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -1181.780506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.780506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.780506 (E_RNA)
where:
Base-Base interactions energy: -820.997
where: short stacking energy: -372.734
Base-Backbone interact. energy: -0.736
local terms energy: -360.047436
where:
bonds (distance) C4'-P energy: -66.504
bonds (distance) P-C4' energy: -58.760
flat angles C4'-P-C4' energy: -77.212
flat angles P-C4'-P energy: -49.102
tors. eta vs tors. theta energy: -108.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -1095.332577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.332577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.332577 (E_RNA)
where:
Base-Base interactions energy: -749.883
where: short stacking energy: -330.193
Base-Backbone interact. energy: -1.103
local terms energy: -344.345814
where:
bonds (distance) C4'-P energy: -70.449
bonds (distance) P-C4' energy: -59.793
flat angles C4'-P-C4' energy: -69.187
flat angles P-C4'-P energy: -50.953
tors. eta vs tors. theta energy: -93.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -998.692101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.692101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.692101 (E_RNA)
where:
Base-Base interactions energy: -693.312
where: short stacking energy: -293.538
Base-Backbone interact. energy: -1.320
local terms energy: -304.060743
where:
bonds (distance) C4'-P energy: -58.468
bonds (distance) P-C4' energy: -60.854
flat angles C4'-P-C4' energy: -60.553
flat angles P-C4'-P energy: -45.543
tors. eta vs tors. theta energy: -78.644
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: 10
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -1009.894485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.894485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.894485 (E_RNA)
where:
Base-Base interactions energy: -714.615
where: short stacking energy: -307.667
Base-Backbone interact. energy: -1.276
local terms energy: -294.003689
where:
bonds (distance) C4'-P energy: -48.281
bonds (distance) P-C4' energy: -56.035
flat angles C4'-P-C4' energy: -63.330
flat angles P-C4'-P energy: -46.768
tors. eta vs tors. theta energy: -79.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -784.404806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.404806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.404806 (E_RNA)
where:
Base-Base interactions energy: -500.874
where: short stacking energy: -214.944
Base-Backbone interact. energy: -0.051
local terms energy: -283.480502
where:
bonds (distance) C4'-P energy: -56.024
bonds (distance) P-C4' energy: -69.126
flat angles C4'-P-C4' energy: -63.182
flat angles P-C4'-P energy: -39.078
tors. eta vs tors. theta energy: -56.070
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: 4
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -863.425329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.425329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.425329 (E_RNA)
where:
Base-Base interactions energy: -608.070
where: short stacking energy: -260.665
Base-Backbone interact. energy: -1.298
local terms energy: -254.057311
where:
bonds (distance) C4'-P energy: -52.307
bonds (distance) P-C4' energy: -43.120
flat angles C4'-P-C4' energy: -57.422
flat angles P-C4'-P energy: -33.436
tors. eta vs tors. theta energy: -67.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -811.769921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.769921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.769921 (E_RNA)
where:
Base-Base interactions energy: -554.258
where: short stacking energy: -224.282
Base-Backbone interact. energy: -2.478
local terms energy: -255.034185
where:
bonds (distance) C4'-P energy: -45.374
bonds (distance) P-C4' energy: -49.147
flat angles C4'-P-C4' energy: -61.965
flat angles P-C4'-P energy: -41.686
tors. eta vs tors. theta energy: -56.862
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: 5
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -630.312621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.312621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.312621 (E_RNA)
where:
Base-Base interactions energy: -392.339
where: short stacking energy: -181.322
Base-Backbone interact. energy: -0.865
local terms energy: -237.108689
where:
bonds (distance) C4'-P energy: -54.185
bonds (distance) P-C4' energy: -57.805
flat angles C4'-P-C4' energy: -52.024
flat angles P-C4'-P energy: -42.998
tors. eta vs tors. theta energy: -30.096
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: 7
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -297.291657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.291657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.291657 (E_RNA)
where:
Base-Base interactions energy: -139.736
where: short stacking energy: -81.758
Base-Backbone interact. energy: 1.841
local terms energy: -159.396220
where:
bonds (distance) C4'-P energy: -50.402
bonds (distance) P-C4' energy: -60.500
flat angles C4'-P-C4' energy: -53.048
flat angles P-C4'-P energy: -13.257
tors. eta vs tors. theta energy: 17.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -1153.986269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.986269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.986269 (E_RNA)
where:
Base-Base interactions energy: -802.172
where: short stacking energy: -350.382
Base-Backbone interact. energy: -0.958
local terms energy: -350.855758
where:
bonds (distance) C4'-P energy: -62.992
bonds (distance) P-C4' energy: -56.904
flat angles C4'-P-C4' energy: -81.464
flat angles P-C4'-P energy: -54.592
tors. eta vs tors. theta energy: -94.904
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: 1
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -1199.244199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.244199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.244199 (E_RNA)
where:
Base-Base interactions energy: -833.773
where: short stacking energy: -375.871
Base-Backbone interact. energy: 3.339
local terms energy: -368.810119
where:
bonds (distance) C4'-P energy: -64.034
bonds (distance) P-C4' energy: -56.772
flat angles C4'-P-C4' energy: -79.572
flat angles P-C4'-P energy: -50.335
tors. eta vs tors. theta energy: -118.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -1108.745171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.745171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.745171 (E_RNA)
where:
Base-Base interactions energy: -751.113
where: short stacking energy: -328.526
Base-Backbone interact. energy: -0.582
local terms energy: -357.049939
where:
bonds (distance) C4'-P energy: -63.793
bonds (distance) P-C4' energy: -70.097
flat angles C4'-P-C4' energy: -74.537
flat angles P-C4'-P energy: -54.092
tors. eta vs tors. theta energy: -94.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -1005.165487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.165487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.165487 (E_RNA)
where:
Base-Base interactions energy: -688.762
where: short stacking energy: -285.105
Base-Backbone interact. energy: -1.708
local terms energy: -314.694679
where:
bonds (distance) C4'-P energy: -56.544
bonds (distance) P-C4' energy: -57.325
flat angles C4'-P-C4' energy: -69.258
flat angles P-C4'-P energy: -50.125
tors. eta vs tors. theta energy: -81.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -977.420905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.420905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.420905 (E_RNA)
where:
Base-Base interactions energy: -685.951
where: short stacking energy: -298.239
Base-Backbone interact. energy: -1.389
local terms energy: -290.080520
where:
bonds (distance) C4'-P energy: -59.908
bonds (distance) P-C4' energy: -44.330
flat angles C4'-P-C4' energy: -54.027
flat angles P-C4'-P energy: -46.306
tors. eta vs tors. theta energy: -85.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -862.495468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.495468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.495468 (E_RNA)
where:
Base-Base interactions energy: -564.534
where: short stacking energy: -259.546
Base-Backbone interact. energy: -0.157
local terms energy: -297.804159
where:
bonds (distance) C4'-P energy: -66.894
bonds (distance) P-C4' energy: -59.926
flat angles C4'-P-C4' energy: -69.136
flat angles P-C4'-P energy: -34.990
tors. eta vs tors. theta energy: -66.859
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: 8
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -748.987704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.987704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.987704 (E_RNA)
where:
Base-Base interactions energy: -511.701
where: short stacking energy: -224.684
Base-Backbone interact. energy: 3.707
local terms energy: -240.993347
where:
bonds (distance) C4'-P energy: -55.560
bonds (distance) P-C4' energy: -58.622
flat angles C4'-P-C4' energy: -59.461
flat angles P-C4'-P energy: -23.184
tors. eta vs tors. theta energy: -44.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -741.599420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.599420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.599420 (E_RNA)
where:
Base-Base interactions energy: -489.189
where: short stacking energy: -226.466
Base-Backbone interact. energy: -0.125
local terms energy: -252.285354
where:
bonds (distance) C4'-P energy: -48.119
bonds (distance) P-C4' energy: -64.133
flat angles C4'-P-C4' energy: -54.545
flat angles P-C4'-P energy: -34.261
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: 9, replica: 5
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -612.068020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.068020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.068020 (E_RNA)
where:
Base-Base interactions energy: -379.674
where: short stacking energy: -172.510
Base-Backbone interact. energy: -0.466
local terms energy: -231.928452
where:
bonds (distance) C4'-P energy: -50.962
bonds (distance) P-C4' energy: -61.707
flat angles C4'-P-C4' energy: -47.385
flat angles P-C4'-P energy: -40.113
tors. eta vs tors. theta energy: -31.761
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: 10, replica: 7
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -290.879775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.879775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.879775 (E_RNA)
where:
Base-Base interactions energy: -131.382
where: short stacking energy: -87.809
Base-Backbone interact. energy: -2.455
local terms energy: -157.043426
where:
bonds (distance) C4'-P energy: -49.870
bonds (distance) P-C4' energy: -53.428
flat angles C4'-P-C4' energy: -38.212
flat angles P-C4'-P energy: -33.833
tors. eta vs tors. theta energy: 18.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -1201.380193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.380193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.380193 (E_RNA)
where:
Base-Base interactions energy: -822.531
where: short stacking energy: -380.133
Base-Backbone interact. energy: -0.011
local terms energy: -378.838274
where:
bonds (distance) C4'-P energy: -64.199
bonds (distance) P-C4' energy: -77.200
flat angles C4'-P-C4' energy: -64.443
flat angles P-C4'-P energy: -54.923
tors. eta vs tors. theta energy: -118.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -1130.343129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.343129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.343129 (E_RNA)
where:
Base-Base interactions energy: -789.330
where: short stacking energy: -334.760
Base-Backbone interact. energy: 1.195
local terms energy: -342.207425
where:
bonds (distance) C4'-P energy: -70.289
bonds (distance) P-C4' energy: -58.505
flat angles C4'-P-C4' energy: -75.041
flat angles P-C4'-P energy: -42.108
tors. eta vs tors. theta energy: -96.265
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: 6
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -1122.992750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.992750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.992750 (E_RNA)
where:
Base-Base interactions energy: -778.235
where: short stacking energy: -328.105
Base-Backbone interact. energy: -1.055
local terms energy: -343.702455
where:
bonds (distance) C4'-P energy: -61.658
bonds (distance) P-C4' energy: -65.376
flat angles C4'-P-C4' energy: -74.890
flat angles P-C4'-P energy: -41.228
tors. eta vs tors. theta energy: -100.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -1030.305684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.305684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.305684 (E_RNA)
where:
Base-Base interactions energy: -718.635
where: short stacking energy: -305.945
Base-Backbone interact. energy: -1.109
local terms energy: -310.560902
where:
bonds (distance) C4'-P energy: -49.362
bonds (distance) P-C4' energy: -69.029
flat angles C4'-P-C4' energy: -61.473
flat angles P-C4'-P energy: -43.606
tors. eta vs tors. theta energy: -87.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -980.925781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.925781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.925781 (E_RNA)
where:
Base-Base interactions energy: -666.509
where: short stacking energy: -298.374
Base-Backbone interact. energy: 0.445
local terms energy: -314.861971
where:
bonds (distance) C4'-P energy: -45.029
bonds (distance) P-C4' energy: -66.308
flat angles C4'-P-C4' energy: -70.230
flat angles P-C4'-P energy: -53.692
tors. eta vs tors. theta energy: -79.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -843.728630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.728630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.728630 (E_RNA)
where:
Base-Base interactions energy: -568.579
where: short stacking energy: -264.409
Base-Backbone interact. energy: -0.422
local terms energy: -274.727491
where:
bonds (distance) C4'-P energy: -48.810
bonds (distance) P-C4' energy: -60.350
flat angles C4'-P-C4' energy: -55.045
flat angles P-C4'-P energy: -40.401
tors. eta vs tors. theta energy: -70.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -731.656734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.656734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.656734 (E_RNA)
where:
Base-Base interactions energy: -477.152
where: short stacking energy: -213.107
Base-Backbone interact. energy: -0.198
local terms energy: -254.306430
where:
bonds (distance) C4'-P energy: -56.360
bonds (distance) P-C4' energy: -61.443
flat angles C4'-P-C4' energy: -56.804
flat angles P-C4'-P energy: -37.512
tors. eta vs tors. theta energy: -42.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -725.555273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.555273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.555273 (E_RNA)
where:
Base-Base interactions energy: -481.539
where: short stacking energy: -202.059
Base-Backbone interact. energy: -1.659
local terms energy: -242.357377
where:
bonds (distance) C4'-P energy: -59.537
bonds (distance) P-C4' energy: -42.633
flat angles C4'-P-C4' energy: -61.596
flat angles P-C4'-P energy: -34.714
tors. eta vs tors. theta energy: -43.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -672.508186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.508186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.508186 (E_RNA)
where:
Base-Base interactions energy: -410.609
where: short stacking energy: -189.672
Base-Backbone interact. energy: -2.093
local terms energy: -259.806241
where:
bonds (distance) C4'-P energy: -42.315
bonds (distance) P-C4' energy: -61.411
flat angles C4'-P-C4' energy: -64.168
flat angles P-C4'-P energy: -42.665
tors. eta vs tors. theta energy: -49.247
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: 7
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -308.049903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.049903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.049903 (E_RNA)
where:
Base-Base interactions energy: -117.117
where: short stacking energy: -67.863
Base-Backbone interact. energy: -1.791
local terms energy: -189.141323
where:
bonds (distance) C4'-P energy: -59.337
bonds (distance) P-C4' energy: -68.050
flat angles C4'-P-C4' energy: -53.007
flat angles P-C4'-P energy: -27.967
tors. eta vs tors. theta energy: 19.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -1207.579054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.579054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.579054 (E_RNA)
where:
Base-Base interactions energy: -842.138
where: short stacking energy: -371.714
Base-Backbone interact. energy: -1.256
local terms energy: -364.185221
where:
bonds (distance) C4'-P energy: -63.048
bonds (distance) P-C4' energy: -66.402
flat angles C4'-P-C4' energy: -77.778
flat angles P-C4'-P energy: -46.582
tors. eta vs tors. theta energy: -110.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -1131.605377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.605377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.605377 (E_RNA)
where:
Base-Base interactions energy: -781.417
where: short stacking energy: -337.139
Base-Backbone interact. energy: -2.025
local terms energy: -348.162503
where:
bonds (distance) C4'-P energy: -63.249
bonds (distance) P-C4' energy: -65.248
flat angles C4'-P-C4' energy: -75.871
flat angles P-C4'-P energy: -48.305
tors. eta vs tors. theta energy: -95.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -1114.203315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.203315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.203315 (E_RNA)
where:
Base-Base interactions energy: -753.655
where: short stacking energy: -327.149
Base-Backbone interact. energy: -1.295
local terms energy: -359.253425
where:
bonds (distance) C4'-P energy: -63.529
bonds (distance) P-C4' energy: -69.342
flat angles C4'-P-C4' energy: -74.960
flat angles P-C4'-P energy: -54.739
tors. eta vs tors. theta energy: -96.683
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: 497
Temperature: 1.050000
Total energy: -1026.801705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.801705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.801705 (E_RNA)
where:
Base-Base interactions energy: -723.887
where: short stacking energy: -292.695
Base-Backbone interact. energy: -2.640
local terms energy: -300.274587
where:
bonds (distance) C4'-P energy: -59.810
bonds (distance) P-C4' energy: -61.770
flat angles C4'-P-C4' energy: -64.942
flat angles P-C4'-P energy: -34.960
tors. eta vs tors. theta energy: -78.793
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: 3
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -993.290118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.290118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.290118 (E_RNA)
where:
Base-Base interactions energy: -669.875
where: short stacking energy: -300.163
Base-Backbone interact. energy: -1.173
local terms energy: -322.241844
where:
bonds (distance) C4'-P energy: -60.091
bonds (distance) P-C4' energy: -59.910
flat angles C4'-P-C4' energy: -68.637
flat angles P-C4'-P energy: -47.251
tors. eta vs tors. theta energy: -86.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -877.925708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.925708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.925708 (E_RNA)
where:
Base-Base interactions energy: -592.199
where: short stacking energy: -250.859
Base-Backbone interact. energy: -0.235
local terms energy: -285.492204
where:
bonds (distance) C4'-P energy: -66.309
bonds (distance) P-C4' energy: -69.032
flat angles C4'-P-C4' energy: -52.225
flat angles P-C4'-P energy: -38.732
tors. eta vs tors. theta energy: -59.195
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: 7, replica: 8
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -756.712452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.712452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.712452 (E_RNA)
where:
Base-Base interactions energy: -510.124
where: short stacking energy: -209.611
Base-Backbone interact. energy: -1.346
local terms energy: -245.242795
where:
bonds (distance) C4'-P energy: -57.884
bonds (distance) P-C4' energy: -48.376
flat angles C4'-P-C4' energy: -67.677
flat angles P-C4'-P energy: -22.963
tors. eta vs tors. theta energy: -48.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -743.852475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.852475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.852475 (E_RNA)
where:
Base-Base interactions energy: -475.801
where: short stacking energy: -210.874
Base-Backbone interact. energy: 0.184
local terms energy: -268.235044
where:
bonds (distance) C4'-P energy: -53.501
bonds (distance) P-C4' energy: -61.797
flat angles C4'-P-C4' energy: -66.367
flat angles P-C4'-P energy: -45.155
tors. eta vs tors. theta energy: -41.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -660.816154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.816154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.816154 (E_RNA)
where:
Base-Base interactions energy: -412.448
where: short stacking energy: -196.529
Base-Backbone interact. energy: 2.474
local terms energy: -250.842419
where:
bonds (distance) C4'-P energy: -65.818
bonds (distance) P-C4' energy: -47.405
flat angles C4'-P-C4' energy: -60.672
flat angles P-C4'-P energy: -37.688
tors. eta vs tors. theta energy: -39.258
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: 7
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -294.760176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.760176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.760176 (E_RNA)
where:
Base-Base interactions energy: -114.673
where: short stacking energy: -88.775
Base-Backbone interact. energy: -0.380
local terms energy: -179.707607
where:
bonds (distance) C4'-P energy: -72.500
bonds (distance) P-C4' energy: -44.549
flat angles C4'-P-C4' energy: -38.229
flat angles P-C4'-P energy: -18.757
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: 1
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -1201.405748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.405748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.405748 (E_RNA)
where:
Base-Base interactions energy: -825.871
where: short stacking energy: -369.928
Base-Backbone interact. energy: -0.714
local terms energy: -374.820324
where:
bonds (distance) C4'-P energy: -63.648
bonds (distance) P-C4' energy: -67.147
flat angles C4'-P-C4' energy: -80.399
flat angles P-C4'-P energy: -46.532
tors. eta vs tors. theta energy: -117.094
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: 2
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -1142.632471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.632471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.632471 (E_RNA)
where:
Base-Base interactions energy: -812.719
where: short stacking energy: -350.403
Base-Backbone interact. energy: -0.518
local terms energy: -329.395342
where:
bonds (distance) C4'-P energy: -62.100
bonds (distance) P-C4' energy: -58.463
flat angles C4'-P-C4' energy: -71.888
flat angles P-C4'-P energy: -39.476
tors. eta vs tors. theta energy: -97.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -1104.721661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.721661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.721661 (E_RNA)
where:
Base-Base interactions energy: -759.149
where: short stacking energy: -337.294
Base-Backbone interact. energy: 0.186
local terms energy: -345.758209
where:
bonds (distance) C4'-P energy: -65.968
bonds (distance) P-C4' energy: -61.926
flat angles C4'-P-C4' energy: -70.055
flat angles P-C4'-P energy: -46.853
tors. eta vs tors. theta energy: -100.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -1012.627384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.627384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.627384 (E_RNA)
where:
Base-Base interactions energy: -700.881
where: short stacking energy: -295.803
Base-Backbone interact. energy: 1.146
local terms energy: -312.892130
where:
bonds (distance) C4'-P energy: -56.015
bonds (distance) P-C4' energy: -65.181
flat angles C4'-P-C4' energy: -66.762
flat angles P-C4'-P energy: -48.984
tors. eta vs tors. theta energy: -75.950
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: 3
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -978.944615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.944615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.944615 (E_RNA)
where:
Base-Base interactions energy: -677.521
where: short stacking energy: -291.199
Base-Backbone interact. energy: -0.036
local terms energy: -301.387749
where:
bonds (distance) C4'-P energy: -50.587
bonds (distance) P-C4' energy: -66.067
flat angles C4'-P-C4' energy: -61.428
flat angles P-C4'-P energy: -47.001
tors. eta vs tors. theta energy: -76.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -883.051084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.051084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.051084 (E_RNA)
where:
Base-Base interactions energy: -608.276
where: short stacking energy: -247.167
Base-Backbone interact. energy: -1.002
local terms energy: -273.772576
where:
bonds (distance) C4'-P energy: -53.881
bonds (distance) P-C4' energy: -47.312
flat angles C4'-P-C4' energy: -60.762
flat angles P-C4'-P energy: -42.971
tors. eta vs tors. theta energy: -68.847
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: 7, replica: 8
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -747.300607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.300607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.300607 (E_RNA)
where:
Base-Base interactions energy: -502.774
where: short stacking energy: -205.972
Base-Backbone interact. energy: -0.758
local terms energy: -243.768041
where:
bonds (distance) C4'-P energy: -42.071
bonds (distance) P-C4' energy: -52.756
flat angles C4'-P-C4' energy: -56.991
flat angles P-C4'-P energy: -47.350
tors. eta vs tors. theta energy: -44.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -728.496660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.496660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.496660 (E_RNA)
where:
Base-Base interactions energy: -498.820
where: short stacking energy: -226.524
Base-Backbone interact. energy: -0.334
local terms energy: -229.342380
where:
bonds (distance) C4'-P energy: -36.745
bonds (distance) P-C4' energy: -52.734
flat angles C4'-P-C4' energy: -55.941
flat angles P-C4'-P energy: -36.813
tors. eta vs tors. theta energy: -47.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -646.940868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.940868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.940868 (E_RNA)
where:
Base-Base interactions energy: -430.134
where: short stacking energy: -199.177
Base-Backbone interact. energy: -0.189
local terms energy: -216.617890
where:
bonds (distance) C4'-P energy: -52.078
bonds (distance) P-C4' energy: -40.480
flat angles C4'-P-C4' energy: -53.238
flat angles P-C4'-P energy: -25.039
tors. eta vs tors. theta energy: -45.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -265.863732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.863732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.863732 (E_RNA)
where:
Base-Base interactions energy: -83.618
where: short stacking energy: -81.568
Base-Backbone interact. energy: -0.827
local terms energy: -181.419034
where:
bonds (distance) C4'-P energy: -64.427
bonds (distance) P-C4' energy: -56.059
flat angles C4'-P-C4' energy: -60.519
flat angles P-C4'-P energy: -17.950
tors. eta vs tors. theta energy: 17.536
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: 1
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -1200.868131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.868131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.868131 (E_RNA)
where:
Base-Base interactions energy: -828.698
where: short stacking energy: -368.017
Base-Backbone interact. energy: -0.257
local terms energy: -371.913050
where:
bonds (distance) C4'-P energy: -71.453
bonds (distance) P-C4' energy: -58.754
flat angles C4'-P-C4' energy: -78.907
flat angles P-C4'-P energy: -50.021
tors. eta vs tors. theta energy: -112.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -1126.076254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.076254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.076254 (E_RNA)
where:
Base-Base interactions energy: -788.302
where: short stacking energy: -351.450
Base-Backbone interact. energy: -0.484
local terms energy: -337.290850
where:
bonds (distance) C4'-P energy: -59.442
bonds (distance) P-C4' energy: -60.970
flat angles C4'-P-C4' energy: -69.771
flat angles P-C4'-P energy: -53.342
tors. eta vs tors. theta energy: -93.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -1107.479390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.479390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.479390 (E_RNA)
where:
Base-Base interactions energy: -760.147
where: short stacking energy: -332.078
Base-Backbone interact. energy: -2.171
local terms energy: -345.161552
where:
bonds (distance) C4'-P energy: -57.133
bonds (distance) P-C4' energy: -67.788
flat angles C4'-P-C4' energy: -72.084
flat angles P-C4'-P energy: -51.546
tors. eta vs tors. theta energy: -96.611
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: 10
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -1013.168828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.168828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.168828 (E_RNA)
where:
Base-Base interactions energy: -710.330
where: short stacking energy: -292.302
Base-Backbone interact. energy: 1.253
local terms energy: -304.092330
where:
bonds (distance) C4'-P energy: -53.990
bonds (distance) P-C4' energy: -58.035
flat angles C4'-P-C4' energy: -68.716
flat angles P-C4'-P energy: -49.544
tors. eta vs tors. theta energy: -73.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -974.350369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.350369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.350369 (E_RNA)
where:
Base-Base interactions energy: -659.719
where: short stacking energy: -279.521
Base-Backbone interact. energy: -0.863
local terms energy: -313.768498
where:
bonds (distance) C4'-P energy: -58.310
bonds (distance) P-C4' energy: -68.262
flat angles C4'-P-C4' energy: -63.071
flat angles P-C4'-P energy: -48.608
tors. eta vs tors. theta energy: -75.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -899.457686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.457686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.457686 (E_RNA)
where:
Base-Base interactions energy: -628.896
where: short stacking energy: -273.131
Base-Backbone interact. energy: 0.408
local terms energy: -270.969808
where:
bonds (distance) C4'-P energy: -45.005
bonds (distance) P-C4' energy: -57.283
flat angles C4'-P-C4' energy: -62.378
flat angles P-C4'-P energy: -44.499
tors. eta vs tors. theta energy: -61.805
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: 8
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -812.605657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.605657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.605657 (E_RNA)
where:
Base-Base interactions energy: -537.931
where: short stacking energy: -221.835
Base-Backbone interact. energy: -2.000
local terms energy: -272.674368
where:
bonds (distance) C4'-P energy: -57.993
bonds (distance) P-C4' energy: -66.838
flat angles C4'-P-C4' energy: -59.536
flat angles P-C4'-P energy: -37.640
tors. eta vs tors. theta energy: -50.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -633.432321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.432321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.432321 (E_RNA)
where:
Base-Base interactions energy: -393.000
where: short stacking energy: -192.904
Base-Backbone interact. energy: -0.601
local terms energy: -239.831440
where:
bonds (distance) C4'-P energy: -51.964
bonds (distance) P-C4' energy: -62.075
flat angles C4'-P-C4' energy: -57.460
flat angles P-C4'-P energy: -34.927
tors. eta vs tors. theta energy: -33.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -692.947047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.947047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.947047 (E_RNA)
where:
Base-Base interactions energy: -478.080
where: short stacking energy: -201.853
Base-Backbone interact. energy: 0.653
local terms energy: -215.519226
where:
bonds (distance) C4'-P energy: -45.545
bonds (distance) P-C4' energy: -54.039
flat angles C4'-P-C4' energy: -40.615
flat angles P-C4'-P energy: -40.729
tors. eta vs tors. theta energy: -34.590
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: 7
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -270.802571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.802571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.802571 (E_RNA)
where:
Base-Base interactions energy: -92.987
where: short stacking energy: -80.045
Base-Backbone interact. energy: 4.420
local terms energy: -182.236052
where:
bonds (distance) C4'-P energy: -59.083
bonds (distance) P-C4' energy: -62.059
flat angles C4'-P-C4' energy: -40.054
flat angles P-C4'-P energy: -30.146
tors. eta vs tors. theta energy: 9.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -1197.803234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.803234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.803234 (E_RNA)
where:
Base-Base interactions energy: -826.539
where: short stacking energy: -363.025
Base-Backbone interact. energy: -0.344
local terms energy: -370.920447
where:
bonds (distance) C4'-P energy: -67.337
bonds (distance) P-C4' energy: -70.508
flat angles C4'-P-C4' energy: -72.149
flat angles P-C4'-P energy: -52.688
tors. eta vs tors. theta energy: -108.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -1121.888472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.888472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.888472 (E_RNA)
where:
Base-Base interactions energy: -765.229
where: short stacking energy: -345.913
Base-Backbone interact. energy: -0.971
local terms energy: -355.688153
where:
bonds (distance) C4'-P energy: -65.529
bonds (distance) P-C4' energy: -71.333
flat angles C4'-P-C4' energy: -78.672
flat angles P-C4'-P energy: -46.691
tors. eta vs tors. theta energy: -93.463
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: 3, replica: 6
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -1112.174292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.174292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.174292 (E_RNA)
where:
Base-Base interactions energy: -766.621
where: short stacking energy: -348.887
Base-Backbone interact. energy: -1.010
local terms energy: -344.542606
where:
bonds (distance) C4'-P energy: -62.523
bonds (distance) P-C4' energy: -65.578
flat angles C4'-P-C4' energy: -69.961
flat angles P-C4'-P energy: -43.414
tors. eta vs tors. theta energy: -103.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -1000.181059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.181059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.181059 (E_RNA)
where:
Base-Base interactions energy: -681.130
where: short stacking energy: -280.896
Base-Backbone interact. energy: 2.593
local terms energy: -321.643375
where:
bonds (distance) C4'-P energy: -58.648
bonds (distance) P-C4' energy: -69.797
flat angles C4'-P-C4' energy: -73.981
flat angles P-C4'-P energy: -42.535
tors. eta vs tors. theta energy: -76.682
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: 4
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -931.617942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.617942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.617942 (E_RNA)
where:
Base-Base interactions energy: -623.719
where: short stacking energy: -283.582
Base-Backbone interact. energy: -1.822
local terms energy: -306.076772
where:
bonds (distance) C4'-P energy: -63.836
bonds (distance) P-C4' energy: -59.861
flat angles C4'-P-C4' energy: -65.313
flat angles P-C4'-P energy: -38.630
tors. eta vs tors. theta energy: -78.436
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: 6, replica: 3
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -945.737947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.737947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.737947 (E_RNA)
where:
Base-Base interactions energy: -645.940
where: short stacking energy: -273.011
Base-Backbone interact. energy: -1.665
local terms energy: -298.132843
where:
bonds (distance) C4'-P energy: -60.518
bonds (distance) P-C4' energy: -64.238
flat angles C4'-P-C4' energy: -68.729
flat angles P-C4'-P energy: -24.905
tors. eta vs tors. theta energy: -79.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -770.350713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.350713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.350713 (E_RNA)
where:
Base-Base interactions energy: -521.744
where: short stacking energy: -210.845
Base-Backbone interact. energy: -1.456
local terms energy: -247.150486
where:
bonds (distance) C4'-P energy: -48.974
bonds (distance) P-C4' energy: -55.569
flat angles C4'-P-C4' energy: -63.908
flat angles P-C4'-P energy: -42.999
tors. eta vs tors. theta energy: -35.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -656.086683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.086683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.086683 (E_RNA)
where:
Base-Base interactions energy: -404.019
where: short stacking energy: -204.031
Base-Backbone interact. energy: -1.826
local terms energy: -250.241648
where:
bonds (distance) C4'-P energy: -53.835
bonds (distance) P-C4' energy: -48.728
flat angles C4'-P-C4' energy: -55.817
flat angles P-C4'-P energy: -41.017
tors. eta vs tors. theta energy: -50.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -680.165083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.165083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.165083 (E_RNA)
where:
Base-Base interactions energy: -467.662
where: short stacking energy: -185.627
Base-Backbone interact. energy: -0.865
local terms energy: -211.638368
where:
bonds (distance) C4'-P energy: -55.546
bonds (distance) P-C4' energy: -55.979
flat angles C4'-P-C4' energy: -43.214
flat angles P-C4'-P energy: -29.119
tors. eta vs tors. theta energy: -27.780
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: 7
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -275.496592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.496592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.496592 (E_RNA)
where:
Base-Base interactions energy: -123.693
where: short stacking energy: -111.307
Base-Backbone interact. energy: 3.407
local terms energy: -155.210855
where:
bonds (distance) C4'-P energy: -47.756
bonds (distance) P-C4' energy: -49.715
flat angles C4'-P-C4' energy: -36.647
flat angles P-C4'-P energy: -30.873
tors. eta vs tors. theta energy: 9.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -1216.509073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.509073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.509073 (E_RNA)
where:
Base-Base interactions energy: -830.303
where: short stacking energy: -382.266
Base-Backbone interact. energy: 1.187
local terms energy: -387.393078
where:
bonds (distance) C4'-P energy: -61.495
bonds (distance) P-C4' energy: -68.250
flat angles C4'-P-C4' energy: -82.523
flat angles P-C4'-P energy: -57.682
tors. eta vs tors. theta energy: -117.443
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: 6
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -1131.071421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.071421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.071421 (E_RNA)
where:
Base-Base interactions energy: -788.230
where: short stacking energy: -337.616
Base-Backbone interact. energy: -1.849
local terms energy: -340.992534
where:
bonds (distance) C4'-P energy: -55.696
bonds (distance) P-C4' energy: -68.773
flat angles C4'-P-C4' energy: -68.773
flat angles P-C4'-P energy: -46.243
tors. eta vs tors. theta energy: -101.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -1109.545955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.545955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.545955 (E_RNA)
where:
Base-Base interactions energy: -772.236
where: short stacking energy: -343.360
Base-Backbone interact. energy: 0.849
local terms energy: -338.158717
where:
bonds (distance) C4'-P energy: -53.632
bonds (distance) P-C4' energy: -64.425
flat angles C4'-P-C4' energy: -75.668
flat angles P-C4'-P energy: -48.227
tors. eta vs tors. theta energy: -96.207
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: 4, replica: 10
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -1005.768684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.768684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.768684 (E_RNA)
where:
Base-Base interactions energy: -695.935
where: short stacking energy: -288.709
Base-Backbone interact. energy: -2.652
local terms energy: -307.181268
where:
bonds (distance) C4'-P energy: -61.867
bonds (distance) P-C4' energy: -64.700
flat angles C4'-P-C4' energy: -59.842
flat angles P-C4'-P energy: -46.016
tors. eta vs tors. theta energy: -74.756
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: 4
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -936.043451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.043451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.043451 (E_RNA)
where:
Base-Base interactions energy: -643.584
where: short stacking energy: -274.825
Base-Backbone interact. energy: -2.007
local terms energy: -290.452731
where:
bonds (distance) C4'-P energy: -58.698
bonds (distance) P-C4' energy: -54.964
flat angles C4'-P-C4' energy: -68.762
flat angles P-C4'-P energy: -37.501
tors. eta vs tors. theta energy: -70.527
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: 3
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -935.815184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.815184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.815184 (E_RNA)
where:
Base-Base interactions energy: -621.698
where: short stacking energy: -277.096
Base-Backbone interact. energy: -1.986
local terms energy: -312.130726
where:
bonds (distance) C4'-P energy: -59.701
bonds (distance) P-C4' energy: -65.328
flat angles C4'-P-C4' energy: -69.165
flat angles P-C4'-P energy: -37.571
tors. eta vs tors. theta energy: -80.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -785.319623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.319623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.319623 (E_RNA)
where:
Base-Base interactions energy: -516.222
where: short stacking energy: -228.452
Base-Backbone interact. energy: 3.987
local terms energy: -273.084913
where:
bonds (distance) C4'-P energy: -58.178
bonds (distance) P-C4' energy: -56.389
flat angles C4'-P-C4' energy: -66.031
flat angles P-C4'-P energy: -41.562
tors. eta vs tors. theta energy: -50.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -688.488831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.488831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.488831 (E_RNA)
where:
Base-Base interactions energy: -453.976
where: short stacking energy: -190.184
Base-Backbone interact. energy: -1.393
local terms energy: -233.119868
where:
bonds (distance) C4'-P energy: -54.358
bonds (distance) P-C4' energy: -63.076
flat angles C4'-P-C4' energy: -58.385
flat angles P-C4'-P energy: -33.991
tors. eta vs tors. theta energy: -23.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -653.505435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.505435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.505435 (E_RNA)
where:
Base-Base interactions energy: -425.421
where: short stacking energy: -185.846
Base-Backbone interact. energy: 1.632
local terms energy: -229.716110
where:
bonds (distance) C4'-P energy: -48.541
bonds (distance) P-C4' energy: -57.679
flat angles C4'-P-C4' energy: -54.756
flat angles P-C4'-P energy: -33.881
tors. eta vs tors. theta energy: -34.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -290.834489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.834489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.834489 (E_RNA)
where:
Base-Base interactions energy: -136.187
where: short stacking energy: -100.271
Base-Backbone interact. energy: 1.121
local terms energy: -155.768972
where:
bonds (distance) C4'-P energy: -47.038
bonds (distance) P-C4' energy: -48.036
flat angles C4'-P-C4' energy: -24.560
flat angles P-C4'-P energy: -31.974
tors. eta vs tors. theta energy: -4.161
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)
replica 1 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 45337105
moves confirmed later: 47919702
all moves confirmed: 93256807
percent of confirmed moves: 11.657101
current total energy: -1149.386470
recalc. total energy: -1149.386470
replica 6 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 81456383
moves confirmed later: 95303593
all moves confirmed: 176759976
percent of confirmed moves: 22.094997
current total energy: -1057.869013
recalc. total energy: -1057.869013
replica 2 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 57655573
moves confirmed later: 64158991
all moves confirmed: 121814564
percent of confirmed moves: 15.226821
current total energy: -1012.042111
recalc. total energy: -1012.042111
replica 10 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 58245627
moves confirmed later: 65190120
all moves confirmed: 123435747
percent of confirmed moves: 15.429468
current total energy: -897.392027
recalc. total energy: -897.392027
replica 3 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 71131169
moves confirmed later: 81729228
all moves confirmed: 152860397
percent of confirmed moves: 19.107550
current total energy: -883.282486
recalc. total energy: -883.282486
replica 4 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 63595424
moves confirmed later: 71822467
all moves confirmed: 135417891
percent of confirmed moves: 16.927236
current total energy: -910.206964
recalc. total energy: -910.206964
replica 8 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 56205110
moves confirmed later: 62418165
all moves confirmed: 118623275
percent of confirmed moves: 14.827909
current total energy: -722.484473
recalc. total energy: -722.484473
replica 9 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 72570072
moves confirmed later: 83637746
all moves confirmed: 156207818
percent of confirmed moves: 19.525977
current total energy: -636.895337
recalc. total energy: -636.895337
replica 5 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 106620102
moves confirmed later: 128198324
all moves confirmed: 234818426
percent of confirmed moves: 29.352303
current total energy: -503.394970
recalc. total energy: -503.394970
replica 7 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 122757459
moves confirmed later: 149041201
all moves confirmed: 271798660
percent of confirmed moves: 33.974832
current total energy: -211.436385
recalc. total energy: -211.436385
out arg RESULTS//1/VL30_22mer_extended-390bfc49_01
Time of doing 8000000 iterations: 13967.178 seconds